| 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 | 41.9 | Very low | 38.9 | Very low | 243 Ų | 243 | 155.5 Ų | 155.5 | 100% | 1.197 | 80% | 0.797 | S | S | * | * | 0 | 116.5 | 0 | -75.6 | 174.4 | 170.1 | 0 | 0 | 107.3 | |||||
| 2 | Q | 37.9 | Very low | 38.5 | Very low | 158 Ų | 158 | 151.8 Ų | 151.8 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | cis | -152.3 | 126.4 | -1.8 | -100.1 | 177.5 | -23.3 | 0 | 0 | 108.2 | ||||
| 3 | K | 36.8 | Very low | 38.5 | Very low | 162 Ų | 162 | 149.5 Ų | 149.5 | 70% | 0.704 | 80% | 0.795 | S | S | * | * | trans | 79.1 | 106.4 | 135.2 | -64.3 | 178.9 | 172.9 | -176.2 | 0 | 118.3 | ||||
| 4 | I | 39.6 | Very low | 38.4 | Very low | 138 Ų | 138 | 148.9 Ų | 148.9 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | 68.3 | 116.1 | 75 | -63.5 | 163.5 | 0 | 0 | 0 | 108.4 | |||||
| 5 | M | 40 | Very low | 38.3 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 80% | 0.803 | 80% | 0.799 | S | S | * | * | -172.3 | 129.4 | 76 | -144.3 | 161.5 | 86.1 | 0 | 0 | 113.4 | |||||
| 6 | H | 38.4 | Very low | 38.1 | Very low | 145 Ų | 145 | 156.5 Ų | 156.5 | 67% | 0.671 | 81% | 0.813 | S | S | * | * | trans | 38.6 | 115.2 | 138.8 | -61.9 | -54.9 | 0 | 0 | 0 | 121.9 | ||||
| 7 | I | 39.5 | Very low | 38 | Very low | 147 Ų | 147 | 151.6 Ų | 151.6 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | 71.1 | 111.3 | 88.9 | -66.4 | 172 | 0 | 0 | 0 | 113.5 | |||||
| 8 | S | 38.7 | Very low | 37.8 | Very low | 106 Ų | 106 | 151.8 Ų | 151.8 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | -172.6 | 120.5 | 122.5 | 30.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 9 | V | 39.6 | Very low | 37.7 | Very low | 125 Ų | 125 | 152.3 Ų | 152.3 | 76% | 0.758 | 81% | 0.81 | S | S | * | * | trans | 69.4 | 92.2 | 135.7 | -173.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 10 | L | 36.3 | Very low | 37.6 | Very low | 156 Ų | 156 | 154.8 Ų | 154.8 | 82% | 0.817 | 81% | 0.814 | S | S | * | * | 67.8 | 95.1 | 94 | -80.7 | 157.4 | 0 | 0 | 0 | 114.7 | |||||
| 11 | L | 38.9 | Very low | 37.2 | Very low | 167 Ų | 167 | 151.5 Ų | 151.5 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | 178 | 119.9 | 127.7 | -95.6 | 148.2 | 0 | 0 | 0 | 111.4 | |||||
| 12 | S | 34.2 | Very low | 36.6 | Very low | 112 Ų | 112 | 146.7 Ų | 146.7 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | 58.1 | 106.4 | 158.9 | 63.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 13 | P | 38.1 | Very low | 36.7 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -109.5 | 133 | 168.3 | 35.7 | -23.4 | 0 | 0 | 0 | 112.3 | ||||
| 14 | V | 37.4 | Very low | 37.2 | Very low | 141 Ų | 141 | 141.3 Ų | 141.3 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -174.3 | 79.4 | 140.1 | -177.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 15 | L | 37.1 | Very low | 38.7 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | trans | -161 | 90 | 166.2 | -140.7 | 99.5 | 0 | 0 | 0 | 109.5 | ||||
| 16 | W | 35.9 | Very low | 40.9 | Very low | 267 Ų | 267 | 133.3 Ų | 133.3 | 100% | 1.011 | 77% | 0.768 | S | S | * | * | trans | 178.4 | 68.4 | 152.6 | -99 | 24.4 | 0 | 0 | 0 | 111.4 | ||||
| 17 | G | 36.3 | Very low | 43.4 | Very low | 73 Ų | 73 | 126.9 Ų | 126.9 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | -146.1 | 59.3 | 169 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 18 | L | 33.5 | Very low | 45.9 | Very low | 156 Ų | 156 | 123.3 Ų | 123.3 | 82% | 0.817 | 72% | 0.719 | S | S | * | * | trans | -141.4 | 69.7 | -175.5 | -79.5 | 170.2 | 0 | 0 | 0 | 111 | ||||
| 19 | I | 35.7 | Very low | 48.5 | Very low | 161 Ų | 161 | 118.3 Ų | 118.3 | 83% | 0.826 | 68% | 0.684 | S | S | * | * | trans | -144.4 | 70.1 | 155.9 | -52.1 | -179.6 | 0 | 0 | 0 | 107.8 | ||||
| 20 | F | 35.9 | Very low | 51.2 | Low | 201 Ų | 201 | 112.4 Ų | 112.4 | 88% | 0.882 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -159 | 110 | 153 | -91 | -71.5 | 0 | 0 | 0 | 106.6 | V22 | F20-V22 PolarHBondContact O-N 2.85Š|
| 21 | G | 29.1 | Very low | 54 | Low | 87 Ų | 87 | 105 Ų | 105 | 90% | 0.897 | 61% | 0.609 | S | S | * | * | trans | -65.8 | 116.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S23 | G21-S23 PolarHBondContact O-N 3.28Š| ||
| 22 | V | 30.8 | Very low | 56.7 | Low | 142 Ų | 142 | 97 Ų | 97 | 86% | 0.861 | 57% | 0.567 | S | S | * | * | trans | -79.8 | 108.3 | 169.8 | 177.1 | 0 | 0 | 0 | 0 | 108 | F20 S24 | F20-V22 PolarHBondContact O-N 2.85Å; V22-S24 PolarHBondContact O-N 3.36Å | ||
| 23 | S | 38.4 | Very low | 59.6 | Low | 97 Ų | 97 | 91.8 Ų | 91.8 | 68% | 0.678 | 53% | 0.53 | S | S | * | . | trans | -65.6 | 124.2 | 172.7 | 64 | 0 | 0 | 0 | 0 | 110.1 | G21 N25 | G21-S23 PolarHBondContact O-N 3.28Å; S23-N25 PolarHBondContact O-N 2.73Å | ||
| 24 | S | 48.6 | Very low | 62.3 | Low | 109 Ų | 109 | 87.2 Ų | 87.2 | 76% | 0.762 | 50% | 0.501 | S | S | * | . | trans | -71.4 | 121.3 | -179.1 | 65.9 | 0 | 0 | 0 | 0 | 111.6 | V22 S26 | V22-S24 PolarHBondContact O-N 3.36Å; S24-S26 PolarHBondContact O-N 3.19Å | ||
| 25 | N | 70.3 | Confident | 64.8 | Low | 80 Ų | 80 | 89.3 Ų | 89.3 | 43% | 0.428 | 49% | 0.493 | S | S | . | . | trans | -80.2 | 35.4 | -176.3 | -86.8 | -28.7 | 0 | 0 | 0 | 114.2 | S23 E55 F56 R57 R315 | S23-N25 PolarHBondContact O-N 2.73Å; N25-E55 VanDerWaalsContact CG-O 3.23Å; N25-E55 PolarHBondContact ND2-O 3.33Å; N25-F56 CarbonylContact O-C 3.48Å; N25-F56 WeakPolarHBondContact O-CA 3.24Å; N25-R57 PolarHBondContact O-N 2.83Å; N25-R315 PolarHBondContact OD1-NH2 3.42Å | ||
| 26 | S | 86.2 | Confident | 67.2 | Low | 53 Ų | 53 | 84.8 Ų | 84.8 | 37% | 0.371 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 122.1 | -173.7 | 169.2 | 0 | 0 | 0 | 0 | 112.4 | S24 R57 T59 | S24-S26 PolarHBondContact O-N 3.19Å; S26-R57 WeakPolarHBondContact CA-O 3.36Å; S26-T59 WeakPolarHBondContact OG-CB 3.27Å; S26-T59 PolarHBondContact OG-OG1 2.98Å |
| 27 | I | 89.9 | Confident | 69.8 | Low | 10 Ų | 10 | 72.5 Ų | 72.5 | 5% | 0.051 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 115.8 | 178.3 | -57.7 | -180 | 0 | 0 | 0 | 109.1 | I29 F56 R57 L58 T59 Y86 F311 | I27-I29 HydrophobicContact CG2-CG2 4.33Å; I27-F56 HydrophobicContact CD1-CB 4.1Å; I27-F56 HydrophobicContact CD1-CD2 3.58Å; I27-F56 HydrophobicContact CD1-CE2 4.24Å; I27-F56 HydrophobicContact CD1-CG 3.92Å; I27-F56 HydrophobicContact CG1-CB 4.41Å; I27-F56 HydrophobicContact CG1-CD2 4.4Å; I27-R57 PolarHBondContact N-O 2.86Å; I27-L58 HydrophobicContact CB-CD2 4.14Å; I27-L58 HydrophobicContact CG2-CD2 4.24Å; I27-T59 PolarHBondContact O-N 2.97Å; I27-Y86 HydrophobicContact CB-CD2 4.48Å; I27-Y86 HydrophobicContact CG2-CD2 3.56Å; I27-Y86 HydrophobicContact CG2-CE2 4.27Å; I27-Y86 HydrophobicContact CG2-CG 4.17Å; I27-F311 HydrophobicContact CD1-CB 3.83Å; I27-F311 HydrophobicContact CD1-CD1 3.84Å; I27-F311 HydrophobicContact CD1-CD2 4.26Å; I27-F311 HydrophobicContact CD1-CE1 4.5Å; I27-F311 HydrophobicContact CD1-CG 3.72Å; I27-F311 HydrophobicContact CG2-CD1 4.32Å; I27-F311 HydrophobicContact CG2-CD2 4.37Å; I27-F311 HydrophobicContact CG2-CE1 3.97Å; I27-F311 HydrophobicContact CG2-CE2 4.02Å; I27-F311 HydrophobicContact CG2-CZ 3.81Å |
| 28 | Q | 92.5 | Very high | 72.5 | Confident | 73 Ų | 73 | 73.5 Ų | 73.5 | 34% | 0.341 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 125.2 | 178.2 | -69.5 | 175 | -23.4 | 0 | 0 | 111.4 | R83 V85 Y86 | Q28-R83 PolarHBondContact OE1-O 3.4Å; Q28-V85 HydrophobicContact CB-CG1 4.46Å; Q28-V85 WeakPolarHBondContact O-CA 3.24Å; Q28-Y86 WeakPolarHBondContact O-CD2 3.14Å; Q28-Y86 PolarHBondContact O-N 2.95Å |
| 29 | I | 94.6 | Very high | 75.4 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.005 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 145.4 | 175.8 | 64.1 | 175.1 | 0 | 0 | 0 | 110.1 | I27 F44 M48 L58 T59 P60 H61 A87 M307 F311 | I27-I29 HydrophobicContact CG2-CG2 4.33Å; I29-F44 HydrophobicContact CD1-CZ 4.11Å; I29-M48 HydrophobicContact CD1-SD 4.31Å; I29-L58 HydrophobicContact CD1-CB 4.05Å; I29-L58 HydrophobicContact CD1-CD1 4.36Å; I29-L58 HydrophobicContact CG2-CD2 4.23Å; I29-T59 PolarHBondContact N-O 3.31Å; I29-P60 HydrophobicContact CD1-CB 4.23Å; I29-P60 HydrophobicContact CG1-CB 4.01Å; I29-P60 CarbonylContact O-C 3.6Å; I29-P60 WeakPolarHBondContact O-CA 3.5Å; I29-H61 PolarHBondContact O-N 2.91Å; I29-A87 WeakPolarHBondContact CA-O 3.32Å; I29-M307 HydrophobicContact CB-CE 4.11Å; I29-M307 HydrophobicContact CD1-CE 3.77Å; I29-M307 HydrophobicContact CG2-CE 3.87Å; I29-F311 HydrophobicContact CG2-CE2 4.31Å |
| 30 | G | 95.2 | Very high | 78.2 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 144.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q80 A87 I88 F89 | G30-Q80 VanDerWaalsContact CA-OE1 3.22Å; G30-A87 PolarHBondContact N-O 3.41Å; G30-I88 CarbonylContact O-C 3.26Å; G30-I88 WeakPolarHBondContact O-CA 3.17Å; G30-F89 PolarHBondContact O-N 2.89Å |
| 31 | G | 95.5 | Very high | 81.1 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 115 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | H61 I62 D63 F89 | G31-H61 PolarHBondContact N-O 2.98Å; G31-I62 CarbonylContact O-C 3.59Å; G31-I62 WeakPolarHBondContact O-CA 3.27Å; G31-D63 PolarHBondContact O-N 3.43Å; G31-F89 CarbonylContact C-O 3.59Å; G31-F89 VanDerWaalsContact CA-O 3.25Å; G31-F89 WeakPolarHBondContact CA-O 3.49Å |
| 32 | L | 95.9 | Very high | 84.2 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 105.2 | 176 | -82.9 | 68.9 | 0 | 0 | 0 | 109.8 | L65 V73 A76 Q80 I88 F89 G90 F91 | L32-L65 HydrophobicContact CB-CD2 4.41Å; L32-L65 HydrophobicContact CD2-CD2 3.97Å; L32-L65 HydrophobicContact CG-CD2 3.87Å; L32-V73 HydrophobicContact CD2-CG1 4.47Å; L32-A76 HydrophobicContact CD2-CB 4.41Å; L32-A76 HydrophobicContact CG-CB 4.47Å; L32-Q80 HydrophobicContact CD1-CG 4.17Å; L32-I88 HydrophobicContact CD1-CG2 3.62Å; L32-F89 PolarHBondContact N-O 2.95Å; L32-G90 WeakPolarHBondContact O-CA 3.39Å; L32-F91 PolarHBondContact O-N 2.68Å; L32-F91 VanDerWaalsContact O-N 3.16Å |
| 33 | F | 95.8 | Very high | 87.3 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.1 | -178 | -70.9 | -94.8 | 0 | 0 | 0 | 111.2 | Y41 F44 I62 D63 N64 L65 F89 F91 | F33-Y41 HydrophobicContact CD1-CD2 4.14Å; F33-Y41 HydrophobicContact CD2-CD2 4.09Å; F33-Y41 HydrophobicContact CE1-CD2 4.04Å; F33-Y41 HydrophobicContact CE2-CD2 4Å; F33-Y41 HydrophobicContact CE2-CE2 4.45Å; F33-Y41 HydrophobicContact CG-CD2 4.17Å; F33-Y41 AromaticContact CZ-CD2 3.97Å; F33-Y41 HydrophobicContact CZ-CD2 3.97Å; F33-F44 HydrophobicContact CE1-CB 4.16Å; F33-F44 HydrophobicContact CE1-CG 4.42Å; F33-F44 HydrophobicContact CE2-CD1 4.41Å; F33-F44 HydrophobicContact CE2-CG 4.49Å; F33-F44 HydrophobicContact CZ-CB 3.85Å; F33-F44 AromaticContact CZ-CD1 3.94Å; F33-F44 HydrophobicContact CZ-CD1 3.94Å; F33-F44 AromaticContact CZ-CD2 3.92Å; F33-F44 HydrophobicContact CZ-CD2 3.92Å; F33-F44 HydrophobicContact CZ-CE1 4.49Å; F33-F44 HydrophobicContact CZ-CE2 4.46Å; F33-F44 AromaticContact CZ-CG 3.63Å; F33-F44 HydrophobicContact CZ-CG 3.63Å; F33-I62 HydrophobicContact CD2-CD1 4.28Å; F33-I62 HydrophobicContact CD2-CG2 3.97Å; F33-I62 HydrophobicContact CE2-CD1 3.8Å; F33-D63 PolarHBondContact N-O 3.3Å; F33-N64 WeakPolarHBondContact O-CA 3.26Å; F33-L65 PolarHBondContact O-N 3.49Å; F33-F89 HydrophobicContact CE1-CD1 4.35Å; F33-F89 AromaticContact CE1-CE1 3.77Å; F33-F89 HydrophobicContact CE1-CE1 3.77Å; F33-F89 HydrophobicContact CE2-CD1 4.18Å; F33-F89 HydrophobicContact CE2-CE1 4.41Å; F33-F89 AromaticContact CZ-CD1 3.69Å; F33-F89 HydrophobicContact CZ-CD1 3.69Å; F33-F89 AromaticContact CZ-CE1 3.55Å; F33-F89 HydrophobicContact CZ-CE1 3.55Å; F33-F91 HydrophobicContact CD1-CE2 4.06Å; F33-F91 HydrophobicContact CE1-CE2 4.22Å |
| 34 | P | 93.8 | Very high | 90.1 | Very high | 25 Ų | 25 | 38.5 Ų | 38.5 | 16% | 0.162 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 146.5 | 169.4 | -16.4 | 26.4 | 0 | 0 | 0 | 111.2 | G36 A37 L65 V67 F91 | P34-G36 PolarHBondContact O-N 2.95Å; P34-A37 HydrophobicContact CB-CB 4.16Å; P34-A37 HydrophobicContact CG-CB 4.12Å; P34-A37 WeakPolarHBondContact O-CB 3.32Å; P34-A37 PolarHBondContact O-N 3.32Å; P34-L65 WeakPolarHBondContact CA-O 3.18Å; P34-V67 HydrophobicContact CB-CG1 4.12Å; P34-V67 HydrophobicContact CB-CG2 4.16Å; P34-V67 HydrophobicContact CG-CG1 3.78Å; P34-V67 HydrophobicContact CG-CG2 4.24Å; P34-F91 VanDerWaalsContact CD-CD2 3.44Å; P34-F91 HydrophobicContact CG-CB 3.65Å; P34-F91 HydrophobicContact CG-CD1 4.42Å; P34-F91 HydrophobicContact CG-CD2 4.08Å; P34-F91 HydrophobicContact CG-CG 3.81Å |
| 35 | R | 89.5 | Confident | 92.3 | Very high | 184 Ų | 184 | 36.8 Ų | 36.8 | 69% | 0.694 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 123.6 | 166.2 | -68.2 | -177.1 | 176.2 | 178 | -2.1 | 109.7 | L65 | R35-L65 PolarHBondContact N-O 3.3Š|
| 36 | G | 87 | Confident | 93.4 | Very high | 58 Ų | 58 | 33.2 Ų | 33.2 | 60% | 0.598 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 96.9 | -3.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | P34 D38 | P34-G36 PolarHBondContact O-N 2.95Å; G36-D38 PolarHBondContact O-N 3.26Å |
| 37 | A | 92 | Very high | 93.8 | Very high | 10 Ų | 10 | 30.7 Ų | 30.7 | 8% | 0.083 | 15% | 0.153 | C | C | . | . | trans | -81.1 | 48.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | P34 E40 Y41 | P34-A37 HydrophobicContact CB-CB 4.16Å; P34-A37 HydrophobicContact CG-CB 4.12Å; P34-A37 WeakPolarHBondContact O-CB 3.32Å; P34-A37 PolarHBondContact O-N 3.32Å; A37-E40 WeakPolarHBondContact CA-OE2 3.01Å; A37-E40 HydrophobicContact CB-CB 4.22Å; A37-E40 PolarHBondContact O-N 3.43Å; A37-Y41 WeakPolarHBondContact O-CB 3.43Å; A37-Y41 PolarHBondContact O-N 3.4Å | ||
| 38 | D | 93 | Very high | 93.9 | Very high | 93 Ų | 93 | 31.8 Ų | 31.8 | 50% | 0.497 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -70 | -37 | -169.7 | -62.7 | -31.6 | 0 | 0 | 0 | 112.2 | G36 S42 P286 | G36-D38 PolarHBondContact O-N 3.26Å; D38-S42 WeakPolarHBondContact O-CB 3.22Å; D38-S42 PolarHBondContact O-N 3.27Å; D38-S42 PolarHBondContact O-OG 3.31Å; D38-P286 HydrophobicContact CB-CB 4.14Å; D38-P286 HydrophobicContact CB-CG 3.94Å |
| 39 | Q | 93.8 | Very high | 93.9 | Very high | 18 Ų | 18 | 32.3 Ų | 32.3 | 8% | 0.084 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.9 | -39.6 | 177.1 | -166 | -177.6 | 41.1 | 0 | 0 | 111.1 | S42 A43 W277 G287 S297 | Q39-S42 WeakPolarHBondContact O-CB 3.35Å; Q39-S42 PolarHBondContact O-N 3.22Å; Q39-A43 WeakPolarHBondContact O-CB 3.36Å; Q39-A43 PolarHBondContact O-N 3.12Å; Q39-W277 HydrophobicContact CG-CH2 4.17Å; Q39-W277 HydrophobicContact CG-CZ2 3.8Å; Q39-G287 PolarHBondContact NE2-O 3.24Å; Q39-S297 WeakPolarHBondContact CG-OG 3.47Å |
| 40 | E | 95.1 | Very high | 93.8 | Very high | 15 Ų | 15 | 36.5 Ų | 36.5 | 7% | 0.07 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.3 | -43.1 | 176.7 | -67.6 | 76.3 | -176 | 0 | 0 | 110.9 | A37 A43 F44 F91 T296 S297 T300 | A37-E40 WeakPolarHBondContact CA-OE2 3.01Å; A37-E40 HydrophobicContact CB-CB 4.22Å; A37-E40 PolarHBondContact O-N 3.43Å; E40-A43 PolarHBondContact O-N 2.89Å; E40-F44 WeakPolarHBondContact O-CB 2.9Å; E40-F44 PolarHBondContact O-N 3.26Å; E40-F91 HydrophobicContact CB-CE2 4.29Å; E40-F91 HydrophobicContact CB-CZ 3.83Å; E40-F91 HydrophobicContact CG-CE1 4.27Å; E40-F91 HydrophobicContact CG-CZ 3.7Å; E40-T296 WeakPolarHBondContact OE1-CB 3.42Å; E40-T296 PolarHBondContact OE1-OG1 3.05Å; E40-S297 WeakPolarHBondContact CA-OG 3.45Å; E40-S297 WeakPolarHBondContact CG-OG 3.41Å; E40-S297 PolarHBondContact N-OG 3.47Å; E40-T300 VanDerWaalsContact O-CG2 3.29Å; E40-T300 WeakPolarHBondContact O-CG2 3.27Å |
| 41 | Y | 95.6 | Very high | 93.7 | Very high | 74 Ų | 74 | 38.3 Ų | 38.3 | 29% | 0.29 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.5 | -38.6 | 174.5 | -177.3 | -113.2 | 0 | 0 | 0 | 112.3 | F33 A37 F44 R45 I62 | F33-Y41 HydrophobicContact CD1-CD2 4.14Å; F33-Y41 HydrophobicContact CD2-CD2 4.09Å; F33-Y41 HydrophobicContact CE1-CD2 4.04Å; F33-Y41 HydrophobicContact CE2-CD2 4Å; F33-Y41 HydrophobicContact CE2-CE2 4.45Å; F33-Y41 HydrophobicContact CG-CD2 4.17Å; F33-Y41 AromaticContact CZ-CD2 3.97Å; F33-Y41 HydrophobicContact CZ-CD2 3.97Å; A37-Y41 WeakPolarHBondContact O-CB 3.43Å; A37-Y41 PolarHBondContact O-N 3.4Å; Y41-F44 WeakPolarHBondContact O-CB 3.24Å; Y41-F44 PolarHBondContact O-N 3.03Å; Y41-R45 HydrophobicContact CE1-CG 4.28Å; Y41-R45 PolarHBondContact O-N 3.27Å; Y41-I62 HydrophobicContact CD2-CG2 4.43Å; Y41-I62 HydrophobicContact CE2-CB 4.42Å; Y41-I62 HydrophobicContact CE2-CD1 3.89Å; Y41-I62 HydrophobicContact CE2-CG1 3.82Å; Y41-I62 HydrophobicContact CE2-CG2 3.82Å |
| 42 | S | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.2 | -46.3 | 172.8 | -66 | 0 | 0 | 0 | 0 | 111.5 | D38 Q39 F44 R45 V46 P286 | D38-S42 WeakPolarHBondContact O-CB 3.22Å; D38-S42 PolarHBondContact O-N 3.27Å; D38-S42 PolarHBondContact O-OG 3.31Å; Q39-S42 WeakPolarHBondContact O-CB 3.35Å; Q39-S42 PolarHBondContact O-N 3.22Å; S42-F44 VanDerWaalsContact C-N 3.32Å; S42-F44 PolarHBondContact O-N 3.18Å; S42-R45 PolarHBondContact O-N 2.82Å; S42-V46 WeakPolarHBondContact O-CG2 3.23Å; S42-V46 PolarHBondContact O-N 3.29Å; S42-P286 VanDerWaalsContact OG-CD 3.29Å; S42-P286 WeakPolarHBondContact OG-CD 3.32Å; S42-P286 PolarHBondContact OG-O 2.76Å |
| 43 | A | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.4 | -37.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q39 E40 V46 G47 W277 S297 | Q39-A43 WeakPolarHBondContact O-CB 3.36Å; Q39-A43 PolarHBondContact O-N 3.12Å; E40-A43 PolarHBondContact O-N 2.89Å; A43-V46 PolarHBondContact O-N 3.45Å; A43-G47 PolarHBondContact O-N 3.49Å; A43-W277 HydrophobicContact CB-CH2 4.29Å; A43-W277 HydrophobicContact CB-CZ3 4.3Å; A43-S297 WeakPolarHBondContact CB-O 3.44Å |
| 44 | F | 96.2 | Very high | 92.3 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 172.9 | -177.5 | -99.2 | 0 | 0 | 0 | 111.5 | I29 F33 E40 Y41 S42 V46 G47 M48 P60 I62 F89 T300 V304 | I29-F44 HydrophobicContact CD1-CZ 4.11Å; F33-F44 HydrophobicContact CE1-CB 4.16Å; F33-F44 HydrophobicContact CE1-CG 4.42Å; F33-F44 HydrophobicContact CE2-CD1 4.41Å; F33-F44 HydrophobicContact CE2-CG 4.49Å; F33-F44 HydrophobicContact CZ-CB 3.85Å; F33-F44 AromaticContact CZ-CD1 3.94Å; F33-F44 HydrophobicContact CZ-CD1 3.94Å; F33-F44 AromaticContact CZ-CD2 3.92Å; F33-F44 HydrophobicContact CZ-CD2 3.92Å; F33-F44 HydrophobicContact CZ-CE1 4.49Å; F33-F44 HydrophobicContact CZ-CE2 4.46Å; F33-F44 AromaticContact CZ-CG 3.63Å; F33-F44 HydrophobicContact CZ-CG 3.63Å; E40-F44 WeakPolarHBondContact O-CB 2.9Å; E40-F44 PolarHBondContact O-N 3.26Å; Y41-F44 WeakPolarHBondContact O-CB 3.24Å; Y41-F44 PolarHBondContact O-N 3.03Å; S42-F44 VanDerWaalsContact C-N 3.32Å; S42-F44 PolarHBondContact O-N 3.18Å; F44-V46 PolarHBondContact O-N 3.48Å; F44-G47 PolarHBondContact O-N 3.33Å; F44-M48 HydrophobicContact CD1-CG 4.18Å; F44-M48 HydrophobicContact CE1-CG 3.89Å; F44-M48 HydrophobicContact CE1-SD 4.39Å; F44-M48 HydrophobicContact CZ-CG 4.16Å; F44-M48 HydrophobicContact CZ-SD 4.17Å; F44-M48 VanDerWaalsContact O-CG 3.24Å; F44-M48 WeakPolarHBondContact O-CG 3.09Å; F44-M48 PolarHBondContact O-N 2.8Å; F44-P60 HydrophobicContact CE1-CB 3.95Å; F44-P60 HydrophobicContact CE1-CG 4.38Å; F44-P60 HydrophobicContact CZ-CB 4.23Å; F44-I62 HydrophobicContact CE1-CD1 4.01Å; F44-F89 AromaticContact CD2-CD1 3.86Å; F44-F89 HydrophobicContact CD2-CD1 3.86Å; F44-F89 AromaticContact CD2-CE1 3.98Å; F44-F89 HydrophobicContact CD2-CE1 3.98Å; F44-F89 HydrophobicContact CD2-CG 4.5Å; F44-F89 HydrophobicContact CE2-CB 4.4Å; F44-F89 AromaticContact CE2-CD1 3.81Å; F44-F89 HydrophobicContact CE2-CD1 3.81Å; F44-F89 HydrophobicContact CE2-CE1 4.4Å; F44-F89 HydrophobicContact CE2-CG 4.15Å; F44-T300 HydrophobicContact CB-CG2 3.67Å; F44-T300 HydrophobicContact CD2-CG2 4.19Å; F44-T300 HydrophobicContact CG-CG2 4.43Å; F44-V304 HydrophobicContact CD2-CG2 3.44Å; F44-V304 VanDerWaalsContact CD2-CG2 3.44Å; F44-V304 HydrophobicContact CE2-CG2 3.65Å; F44-V304 HydrophobicContact CG-CG2 4.26Å |
| 45 | R | 94.9 | Very high | 91.9 | Very high | 74 Ų | 74 | 51 Ų | 51 | 28% | 0.279 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 176.3 | -73.8 | 178.9 | 62.7 | -145.7 | -4.8 | 112.2 | Y41 S42 M48 V49 E284 Y285 | Y41-R45 HydrophobicContact CE1-CG 4.28Å; Y41-R45 PolarHBondContact O-N 3.27Å; S42-R45 PolarHBondContact O-N 2.82Å; R45-M48 PolarHBondContact O-N 2.94Å; R45-V49 PolarHBondContact O-N 2.89Å; R45-E284 PolarHBondContact NH1-O 2.82Å; R45-E284 IonicContact NH2-OE1 3.03Å; R45-E284 PolarHBondContact NH2-OE1 3.1Å; R45-Y285 HydrophobicContact CB-CE1 3.85Å |
| 46 | V | 94.8 | Very high | 91.8 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.03 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62 | -44.5 | 176.3 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | S42 A43 F44 M48 V49 Q50 F273 W277 L280 Y285 Y301 | S42-V46 WeakPolarHBondContact O-CG2 3.23Å; S42-V46 PolarHBondContact O-N 3.29Å; A43-V46 PolarHBondContact O-N 3.45Å; F44-V46 PolarHBondContact O-N 3.48Å; V46-M48 VanDerWaalsContact C-N 3.35Å; V46-M48 PolarHBondContact O-N 3.32Å; V46-V49 PolarHBondContact O-N 3.17Å; V46-Q50 WeakPolarHBondContact O-CB 3.36Å; V46-Q50 PolarHBondContact O-N 2.57Å; V46-F273 HydrophobicContact CG1-CE2 4.19Å; V46-W277 HydrophobicContact CG2-CE3 4.45Å; V46-W277 HydrophobicContact CG2-CZ3 4.08Å; V46-L280 HydrophobicContact CG2-CD1 3.66Å; V46-Y285 HydrophobicContact CG2-CD1 4Å; V46-Y285 HydrophobicContact CG2-CE1 3.78Å; V46-Y301 HydrophobicContact CG1-CD2 4.42Å; V46-Y301 HydrophobicContact CG1-CE2 4.21Å |
| 47 | G | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.3 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A43 F44 V49 Q50 F51 | A43-G47 PolarHBondContact O-N 3.49Å; F44-G47 PolarHBondContact O-N 3.33Å; G47-V49 VanDerWaalsContact C-N 3.29Å; G47-V49 PolarHBondContact O-N 2.92Å; G47-Q50 PolarHBondContact O-N 3.06Å; G47-F51 WeakPolarHBondContact O-CD2 3.44Å; G47-F51 PolarHBondContact O-N 3.49Å |
| 48 | M | 92.3 | Very high | 92 | Very high | 32 Ų | 32 | 48.7 Ų | 48.7 | 16% | 0.158 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.2 | -34.6 | 178.5 | -74.2 | -71.8 | -63.9 | 0 | 0 | 113.1 | I29 F44 R45 V46 S52 L58 P60 V304 | I29-M48 HydrophobicContact CD1-SD 4.31Å; F44-M48 HydrophobicContact CD1-CG 4.18Å; F44-M48 HydrophobicContact CE1-CG 3.89Å; F44-M48 HydrophobicContact CE1-SD 4.39Å; F44-M48 HydrophobicContact CZ-CG 4.16Å; F44-M48 HydrophobicContact CZ-SD 4.17Å; F44-M48 VanDerWaalsContact O-CG 3.24Å; F44-M48 WeakPolarHBondContact O-CG 3.09Å; F44-M48 PolarHBondContact O-N 2.8Å; R45-M48 PolarHBondContact O-N 2.94Å; V46-M48 VanDerWaalsContact C-N 3.35Å; V46-M48 PolarHBondContact O-N 3.32Å; M48-S52 WeakPolarHBondContact O-CB 3.31Å; M48-S52 PolarHBondContact O-N 3.15Å; M48-L58 HydrophobicContact CE-CB 3.42Å; M48-L58 VanDerWaalsContact CE-CB 3.42Å; M48-L58 WeakPolarHBondContact CE-O 3.37Å; M48-L58 HydrophobicContact SD-CB 3.89Å; M48-L58 HydrophobicContact SD-CD1 3.9Å; M48-P60 HydrophobicContact CE-CG 3.94Å; M48-V304 HydrophobicContact CG-CG1 4.17Å; M48-V304 HydrophobicContact SD-CG1 3.89Å |
| 49 | V | 92.7 | Very high | 92 | Very high | 85 Ų | 85 | 46.5 Ų | 46.5 | 52% | 0.515 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -75.8 | -44.7 | 174.1 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | R45 V46 G47 S52 | R45-V49 PolarHBondContact O-N 2.89Å; V46-V49 PolarHBondContact O-N 3.17Å; G47-V49 VanDerWaalsContact C-N 3.29Å; G47-V49 PolarHBondContact O-N 2.92Å; V49-S52 WeakPolarHBondContact O-CB 3.44Å; V49-S52 PolarHBondContact O-N 2.57Å |
| 50 | Q | 92.5 | Very high | 92 | Very high | 88 Ų | 88 | 48 Ų | 48 | 41% | 0.411 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.8 | -43.2 | -175 | 179.7 | 62.2 | 15 | 0 | 0 | 113.2 | V46 G47 Y301 | V46-Q50 WeakPolarHBondContact O-CB 3.36Å; V46-Q50 PolarHBondContact O-N 2.57Å; G47-Q50 PolarHBondContact O-N 3.06Å; Q50-Y301 HydrophobicContact CB-CE2 4.27Å; Q50-Y301 HydrophobicContact CG-CE2 4.39Å; Q50-Y301 WeakPolarHBondContact CG-OH 3.31Å |
| 51 | F | 92.9 | Very high | 91.9 | Very high | 38 Ų | 38 | 49.4 Ų | 49.4 | 17% | 0.167 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 7.8 | -176.9 | -56 | -62.5 | 0 | 0 | 0 | 112.7 | G47 T53 Y301 V304 Q305 T308 | G47-F51 WeakPolarHBondContact O-CD2 3.44Å; G47-F51 PolarHBondContact O-N 3.49Å; F51-T53 PolarHBondContact O-N 3Å; F51-Y301 HydrophobicContact CE2-CD1 4.18Å; F51-Y301 HydrophobicContact CE2-CD2 4.26Å; F51-Y301 AromaticContact CE2-CE1 3.76Å; F51-Y301 HydrophobicContact CE2-CE1 3.76Å; F51-Y301 AromaticContact CE2-CE2 3.83Å; F51-Y301 HydrophobicContact CE2-CE2 3.83Å; F51-Y301 HydrophobicContact CE2-CG 4.44Å; F51-Y301 AromaticContact CE2-CZ 3.58Å; F51-Y301 HydrophobicContact CZ-CD1 4.36Å; F51-Y301 AromaticContact CZ-CE1 3.58Å; F51-Y301 HydrophobicContact CZ-CE1 3.58Å; F51-Y301 HydrophobicContact CZ-CE2 4.23Å; F51-Y301 AromaticContact CZ-CZ 3.52Å; F51-V304 HydrophobicContact CD2-CB 4.35Å; F51-V304 HydrophobicContact CD2-CG1 4.2Å; F51-Q305 HydrophobicContact CD1-CB 4.3Å; F51-Q305 HydrophobicContact CD1-CG 4.03Å; F51-Q305 HydrophobicContact CD2-CB 3.96Å; F51-Q305 HydrophobicContact CE1-CB 3.97Å; F51-Q305 HydrophobicContact CE1-CG 3.62Å; F51-Q305 HydrophobicContact CE2-CB 3.6Å; F51-Q305 HydrophobicContact CE2-CG 4.22Å; F51-Q305 HydrophobicContact CG-CB 4.3Å; F51-Q305 HydrophobicContact CG-CG 4.48Å; F51-Q305 HydrophobicContact CZ-CB 3.6Å; F51-Q305 HydrophobicContact CZ-CG 3.72Å; F51-T308 HydrophobicContact CB-CG2 4.28Å; F51-T308 WeakPolarHBondContact O-CG2 3.33Å |
| 52 | S | 89.4 | Confident | 91.9 | Very high | 68 Ų | 68 | 48.1 Ų | 48.1 | 48% | 0.476 | 25% | 0.251 | S | S | . | . | trans | -58.5 | 134.3 | 175.8 | -157 | 0 | 0 | 0 | 0 | 111 | M48 V49 | M48-S52 WeakPolarHBondContact O-CB 3.31Å; M48-S52 PolarHBondContact O-N 3.15Å; V49-S52 WeakPolarHBondContact O-CB 3.44Å; V49-S52 PolarHBondContact O-N 2.57Å | ||
| 53 | T | 85.3 | Confident | 91.8 | Very high | 19 Ų | 19 | 49.9 Ų | 49.9 | 12% | 0.117 | 26% | 0.26 | C | S | . | . | trans | -119.7 | 154 | 178.8 | 177.4 | 0 | 0 | 0 | 0 | 111 | F51 E55 F56 | F51-T53 PolarHBondContact O-N 3Å; T53-E55 HydrophobicContact CG2-CB 4.27Å; T53-E55 PolarHBondContact O-N 2.86Å; T53-E55 PolarHBondContact OG1-N 3.02Å; T53-F56 HydrophobicContact CG2-CD1 3.72Å; T53-F56 HydrophobicContact CG2-CD2 4.11Å; T53-F56 HydrophobicContact CG2-CE1 3.57Å; T53-F56 HydrophobicContact CG2-CE2 3.97Å; T53-F56 HydrophobicContact CG2-CG 3.99Å; T53-F56 HydrophobicContact CG2-CZ 3.69Å; T53-F56 WeakPolarHBondContact CG2-O 3.4Å | ||
| 54 | S | 83.2 | Confident | 91.7 | Very high | 120 Ų | 120 | 54.7 Ų | 54.7 | 84% | 0.839 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -71.2 | -20.4 | 173.1 | 51.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 55 | E | 83.9 | Confident | 91.6 | Very high | 89 Ų | 89 | 55.2 Ų | 55.2 | 42% | 0.416 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -71 | -47.4 | -178 | -63.9 | 178 | 165 | 0 | 0 | 111.9 | N25 T53 R315 | N25-E55 VanDerWaalsContact CG-O 3.23Å; N25-E55 PolarHBondContact ND2-O 3.33Å; T53-E55 HydrophobicContact CG2-CB 4.27Å; T53-E55 PolarHBondContact O-N 2.86Å; T53-E55 PolarHBondContact OG1-N 3.02Å; E55-R315 VanDerWaalsContact C-NH1 3.33Å; E55-R315 PolarHBondContact O-NH1 3.07Å |
| 56 | F | 88.6 | Confident | 91.4 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | trans | -149.3 | 153.8 | -179.8 | 60.2 | -88.2 | 0 | 0 | 0 | 109.9 | N25 I27 T53 L58 T308 F311 R312 | N25-F56 CarbonylContact O-C 3.48Å; N25-F56 WeakPolarHBondContact O-CA 3.24Å; I27-F56 HydrophobicContact CD1-CB 4.1Å; I27-F56 HydrophobicContact CD1-CD2 3.58Å; I27-F56 HydrophobicContact CD1-CE2 4.24Å; I27-F56 HydrophobicContact CD1-CG 3.92Å; I27-F56 HydrophobicContact CG1-CB 4.41Å; I27-F56 HydrophobicContact CG1-CD2 4.4Å; T53-F56 HydrophobicContact CG2-CD1 3.72Å; T53-F56 HydrophobicContact CG2-CD2 4.11Å; T53-F56 HydrophobicContact CG2-CE1 3.57Å; T53-F56 HydrophobicContact CG2-CE2 3.97Å; T53-F56 HydrophobicContact CG2-CG 3.99Å; T53-F56 HydrophobicContact CG2-CZ 3.69Å; T53-F56 WeakPolarHBondContact CG2-O 3.4Å; F56-L58 HydrophobicContact CD2-CD2 4.42Å; F56-L58 HydrophobicContact CE2-CD2 4.29Å; F56-T308 HydrophobicContact CE2-CG2 4.24Å; F56-T308 HydrophobicContact CZ-CG2 4.02Å; F56-T308 WeakPolarHBondContact CZ-O 3.47Å; F56-F311 HydrophobicContact CD2-CB 4.45Å; F56-F311 HydrophobicContact CE1-CB 4.49Å; F56-F311 HydrophobicContact CE2-CB 3.81Å; F56-F311 HydrophobicContact CZ-CB 3.84Å; F56-R312 HydrophobicContact CE1-CB 4.02Å; F56-R312 HydrophobicContact CZ-CB 4.16Å | ||
| 57 | R | 90.2 | Very high | 91.3 | Very high | 175 Ų | 175 | 58 Ų | 58 | 66% | 0.66 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 136.5 | 173.2 | -68.9 | -175.7 | 174.9 | -175.9 | -1.5 | 110.1 | N25 S26 I27 | N25-R57 PolarHBondContact O-N 2.83Å; S26-R57 WeakPolarHBondContact CA-O 3.36Å; I27-R57 PolarHBondContact N-O 2.86Å |
| 58 | L | 92 | Very high | 91 | Very high | 23 Ų | 23 | 60.4 Ų | 60.4 | 12% | 0.12 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 128.4 | 170.1 | -62.2 | 178.6 | 0 | 0 | 0 | 108.3 | I27 I29 M48 F56 P60 F311 | I27-L58 HydrophobicContact CB-CD2 4.14Å; I27-L58 HydrophobicContact CG2-CD2 4.24Å; I29-L58 HydrophobicContact CD1-CB 4.05Å; I29-L58 HydrophobicContact CD1-CD1 4.36Å; I29-L58 HydrophobicContact CG2-CD2 4.23Å; M48-L58 HydrophobicContact CE-CB 3.42Å; M48-L58 VanDerWaalsContact CE-CB 3.42Å; M48-L58 WeakPolarHBondContact CE-O 3.37Å; M48-L58 HydrophobicContact SD-CB 3.89Å; M48-L58 HydrophobicContact SD-CD1 3.9Å; F56-L58 HydrophobicContact CD2-CD2 4.42Å; F56-L58 HydrophobicContact CE2-CD2 4.29Å; L58-P60 WeakPolarHBondContact O-CD 3.39Å; L58-F311 HydrophobicContact CD2-CD2 3.77Å; L58-F311 HydrophobicContact CD2-CE2 4.03Å |
| 59 | T | 92.8 | Very high | 91.1 | Very high | 48 Ų | 48 | 62.3 Ų | 62.3 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 99.7 | 179.5 | -63 | 0 | 0 | 0 | 0 | 108.4 | S26 I27 I29 | S26-T59 WeakPolarHBondContact OG-CB 3.27Å; S26-T59 PolarHBondContact OG-OG1 2.98Å; I27-T59 PolarHBondContact O-N 2.97Å; I29-T59 PolarHBondContact N-O 3.31Å |
| 60 | P | 93.9 | Very high | 91.2 | Very high | 48 Ų | 48 | 60 Ų | 60 | 31% | 0.312 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 131.2 | -174.1 | 32.5 | -33 | 0 | 0 | 0 | 112.2 | I29 F44 M48 L58 I62 | I29-P60 HydrophobicContact CD1-CB 4.23Å; I29-P60 HydrophobicContact CG1-CB 4.01Å; I29-P60 CarbonylContact O-C 3.6Å; I29-P60 WeakPolarHBondContact O-CA 3.5Å; F44-P60 HydrophobicContact CE1-CB 3.95Å; F44-P60 HydrophobicContact CE1-CG 4.38Å; F44-P60 HydrophobicContact CZ-CB 4.23Å; M48-P60 HydrophobicContact CE-CG 3.94Å; L58-P60 WeakPolarHBondContact O-CD 3.39Å; P60-I62 HydrophobicContact CB-CD1 3.88Å; P60-I62 HydrophobicContact CB-CG1 4.43Å |
| 61 | H | 94.8 | Very high | 91.3 | Very high | 46 Ų | 46 | 63 Ų | 63 | 21% | 0.213 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 106 | 167.4 | -69.4 | -63.9 | 0 | 0 | 0 | 109.1 | I29 G31 Q80 R83 | I29-H61 PolarHBondContact O-N 2.91Å; G31-H61 PolarHBondContact N-O 2.98Å; H61-Q80 PolarHBondContact O-NE2 2.81Å; H61-R83 PolarHBondContact ND1-NH1 3.48Å |
| 62 | I | 94.5 | Very high | 91.4 | Very high | 46 Ų | 46 | 62.6 Ų | 62.6 | 24% | 0.236 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 127.3 | -171.4 | -53.4 | -60.6 | 0 | 0 | 0 | 110.8 | G31 F33 Y41 F44 P60 | G31-I62 CarbonylContact O-C 3.59Å; G31-I62 WeakPolarHBondContact O-CA 3.27Å; F33-I62 HydrophobicContact CD2-CD1 4.28Å; F33-I62 HydrophobicContact CD2-CG2 3.97Å; F33-I62 HydrophobicContact CE2-CD1 3.8Å; Y41-I62 HydrophobicContact CD2-CG2 4.43Å; Y41-I62 HydrophobicContact CE2-CB 4.42Å; Y41-I62 HydrophobicContact CE2-CD1 3.89Å; Y41-I62 HydrophobicContact CE2-CG1 3.82Å; Y41-I62 HydrophobicContact CE2-CG2 3.82Å; F44-I62 HydrophobicContact CE1-CD1 4.01Å; P60-I62 HydrophobicContact CB-CD1 3.88Å; P60-I62 HydrophobicContact CB-CG1 4.43Å |
| 63 | D | 94 | Very high | 91.7 | Very high | 37 Ų | 37 | 59.5 Ų | 59.5 | 20% | 0.198 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 117.3 | 169.8 | -69.5 | -40.9 | 0 | 0 | 0 | 109.6 | G31 F33 L65 A76 Q80 | G31-D63 PolarHBondContact O-N 3.43Å; F33-D63 PolarHBondContact N-O 3.3Å; D63-L65 HydrophobicContact CB-CD2 4.41Å; D63-A76 HydrophobicContact CB-CB 4.27Å; D63-Q80 WeakPolarHBondContact OD2-CG 3.34Å; D63-Q80 PolarHBondContact OD2-NE2 3.47Å |
| 64 | N | 93.3 | Very high | 92.1 | Very high | 102 Ų | 102 | 60.3 Ų | 60.3 | 55% | 0.545 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 110.3 | 173.2 | -71.2 | -21.6 | 0 | 0 | 0 | 109.5 | F33 | F33-N64 WeakPolarHBondContact O-CA 3.26Å |
| 65 | L | 92.8 | Very high | 92.7 | Very high | 13 Ų | 13 | 59.6 Ų | 59.6 | 7% | 0.068 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 167.7 | -170.8 | 63.2 | 81.7 | 0 | 0 | 0 | 112.9 | L32 F33 P34 R35 D63 V67 V73 A76 | L32-L65 HydrophobicContact CB-CD2 4.41Å; L32-L65 HydrophobicContact CD2-CD2 3.97Å; L32-L65 HydrophobicContact CG-CD2 3.87Å; F33-L65 PolarHBondContact O-N 3.49Å; P34-L65 WeakPolarHBondContact CA-O 3.18Å; R35-L65 PolarHBondContact N-O 3.3Å; D63-L65 HydrophobicContact CB-CD2 4.41Å; L65-V67 HydrophobicContact CD1-CB 4.49Å; L65-V67 HydrophobicContact CD1-CG1 3.84Å; L65-V73 HydrophobicContact CD1-CG2 3.84Å; L65-A76 HydrophobicContact CD2-CB 3.28Å |
| 66 | E | 92.3 | Very high | 93.2 | Very high | 111 Ų | 111 | 55.9 Ų | 55.9 | 52% | 0.519 | 30% | 0.295 | S | S | . | . | trans | -85.2 | 110.4 | 168.1 | -88.1 | -177.3 | 160.2 | 0 | 0 | 110.2 | A68 N69 | E66-A68 PolarHBondContact O-N 3.38Å; E66-N69 HydrophobicContact CB-CB 4.38Å; E66-N69 PolarHBondContact O-N 2.86Å | ||
| 67 | V | 91.1 | Very high | 93.5 | Very high | 26 Ų | 26 | 55.7 Ų | 55.7 | 16% | 0.158 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -21.3 | -178.9 | -70.4 | 0 | 0 | 0 | 0 | 113.7 | P34 L65 N69 F91 D93 S96 | P34-V67 HydrophobicContact CB-CG1 4.12Å; P34-V67 HydrophobicContact CB-CG2 4.16Å; P34-V67 HydrophobicContact CG-CG1 3.78Å; P34-V67 HydrophobicContact CG-CG2 4.24Å; L65-V67 HydrophobicContact CD1-CB 4.49Å; L65-V67 HydrophobicContact CD1-CG1 3.84Å; V67-N69 VanDerWaalsContact C-N 3.31Å; V67-F91 HydrophobicContact CG1-CB 4.36Å; V67-D93 HydrophobicContact CB-CB 4.28Å; V67-D93 HydrophobicContact CG2-CB 4.11Å; V67-S96 WeakPolarHBondContact O-CB 3.36Å; V67-S96 PolarHBondContact O-OG 3.27Å |
| 68 | A | 88.5 | Confident | 93.7 | Very high | 50 Ų | 50 | 48.1 Ų | 48.1 | 41% | 0.413 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -24 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E66 S70 | E66-A68 PolarHBondContact O-N 3.38Å; A68-S70 PolarHBondContact O-N 2.99Å |
| 69 | N | 93.7 | Very high | 93.8 | Very high | 72 Ų | 72 | 48.9 Ų | 48.9 | 39% | 0.385 | 28% | 0.275 | S | S | . | . | trans | -93.3 | 97.7 | -179.5 | -174 | -13 | 0 | 0 | 0 | 110.4 | E66 V67 F71 A72 V73 | E66-N69 HydrophobicContact CB-CB 4.38Å; E66-N69 PolarHBondContact O-N 2.86Å; V67-N69 VanDerWaalsContact C-N 3.31Å; N69-F71 PolarHBondContact O-N 2.92Å; N69-F71 VanDerWaalsContact O-N 3.09Å; N69-F71 WeakPolarHBondContact OD1-CB 3.26Å; N69-F71 PolarHBondContact OD1-N 3.07Å; N69-F71 VanDerWaalsContact OD1-N 3.11Å; N69-A72 HydrophobicContact CB-CB 4.09Å; N69-A72 WeakPolarHBondContact O-CB 3.28Å; N69-A72 PolarHBondContact O-N 2.74Å; N69-V73 PolarHBondContact O-N 3.29Å; N69-V73 VanDerWaalsContact O-N 3.12Å | ||
| 70 | S | 94.6 | Very high | 93.9 | Very high | 36 Ų | 36 | 46.6 Ų | 46.6 | 25% | 0.252 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.5 | -28.5 | -178.9 | -54.5 | 0 | 0 | 0 | 0 | 113.7 | A68 V73 T74 K95 | A68-S70 PolarHBondContact O-N 2.99Å; S70-V73 PolarHBondContact O-N 3.24Å; S70-T74 PolarHBondContact O-N 2.91Å; S70-T74 PolarHBondContact O-OG1 3.18Å; S70-K95 PolarHBondContact OG-O 2.95Å; S70-K95 VanDerWaalsContact OG-O 3.12Å |
| 71 | F | 95 | Very high | 93.8 | Very high | 153 Ų | 153 | 44.8 Ų | 44.8 | 67% | 0.671 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -69.8 | -41.7 | 175.9 | 179.9 | -97.1 | 0 | 0 | 0 | 112.2 | N69 V73 T74 N75 | N69-F71 PolarHBondContact O-N 2.92Å; N69-F71 VanDerWaalsContact O-N 3.09Å; N69-F71 WeakPolarHBondContact OD1-CB 3.26Å; N69-F71 PolarHBondContact OD1-N 3.07Å; N69-F71 VanDerWaalsContact OD1-N 3.11Å; F71-V73 VanDerWaalsContact C-N 3.3Å; F71-V73 PolarHBondContact O-N 2.85Å; F71-T74 PolarHBondContact O-N 3.28Å; F71-N75 PolarHBondContact O-N 3.43Å |
| 72 | A | 95 | Very high | 93.6 | Very high | 29 Ų | 29 | 45.4 Ų | 45.4 | 24% | 0.24 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | N69 N75 A76 | N69-A72 HydrophobicContact CB-CB 4.09Å; N69-A72 WeakPolarHBondContact O-CB 3.28Å; N69-A72 PolarHBondContact O-N 2.74Å; A72-N75 PolarHBondContact O-N 3.31Å; A72-A76 WeakPolarHBondContact O-CB 3.47Å; A72-A76 PolarHBondContact O-N 3.44Å |
| 73 | V | 95.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 173.8 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | L32 L65 N69 S70 F71 N75 A76 F77 I100 | L32-V73 HydrophobicContact CD2-CG1 4.47Å; L65-V73 HydrophobicContact CD1-CG2 3.84Å; N69-V73 PolarHBondContact O-N 3.29Å; N69-V73 VanDerWaalsContact O-N 3.12Å; S70-V73 PolarHBondContact O-N 3.24Å; F71-V73 VanDerWaalsContact C-N 3.3Å; F71-V73 PolarHBondContact O-N 2.85Å; V73-N75 PolarHBondContact O-N 2.79Å; V73-A76 PolarHBondContact O-N 3.34Å; V73-F77 VanDerWaalsContact O-CB 3.25Å; V73-F77 WeakPolarHBondContact O-CB 3.28Å; V73-F77 PolarHBondContact O-N 2.91Å; V73-I100 HydrophobicContact CG1-CD1 3.42Å; V73-I100 VanDerWaalsContact CG1-CD1 3.42Å; V73-I100 HydrophobicContact CG1-CG1 3.95Å |
| 74 | T | 95.2 | Very high | 93.2 | Very high | 35 Ų | 35 | 47.8 Ų | 47.8 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.9 | -48 | 176.2 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | S70 F71 A76 F77 C78 T99 F103 | S70-T74 PolarHBondContact O-N 2.91Å; S70-T74 PolarHBondContact O-OG1 3.18Å; F71-T74 PolarHBondContact O-N 3.28Å; T74-A76 PolarHBondContact O-N 3.47Å; T74-F77 PolarHBondContact O-N 3.03Å; T74-C78 WeakPolarHBondContact O-CB 3.39Å; T74-C78 PolarHBondContact O-N 3.45Å; T74-C78 PolarHBondContact O-SG 2.87Å; T74-T99 WeakPolarHBondContact OG1-CG2 3.19Å; T74-F103 HydrophobicContact CG2-CE2 3.85Å; T74-F103 HydrophobicContact CG2-CZ 3.73Å |
| 75 | N | 94.8 | Very high | 93.2 | Very high | 105 Ų | 105 | 43 Ų | 43 | 56% | 0.561 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -63.7 | -44.1 | -179.3 | -171.9 | 22 | 0 | 0 | 0 | 111.9 | F71 A72 V73 C78 S79 | F71-N75 PolarHBondContact O-N 3.43Å; A72-N75 PolarHBondContact O-N 3.31Å; V73-N75 PolarHBondContact O-N 2.79Å; N75-C78 PolarHBondContact O-N 2.94Å; N75-S79 WeakPolarHBondContact O-CB 3.38Å; N75-S79 PolarHBondContact O-N 3.16Å |
| 76 | A | 95 | Very high | 93.2 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L32 D63 L65 A72 V73 T74 C78 S79 Q80 | L32-A76 HydrophobicContact CD2-CB 4.41Å; L32-A76 HydrophobicContact CG-CB 4.47Å; D63-A76 HydrophobicContact CB-CB 4.27Å; L65-A76 HydrophobicContact CD2-CB 3.28Å; A72-A76 WeakPolarHBondContact O-CB 3.47Å; A72-A76 PolarHBondContact O-N 3.44Å; V73-A76 PolarHBondContact O-N 3.34Å; T74-A76 PolarHBondContact O-N 3.47Å; A76-C78 VanDerWaalsContact C-N 3.35Å; A76-C78 PolarHBondContact O-N 3.33Å; A76-S79 WeakPolarHBondContact O-CB 3.49Å; A76-S79 PolarHBondContact O-N 2.9Å; A76-Q80 VanDerWaalsContact O-CG 3.26Å; A76-Q80 WeakPolarHBondContact O-CG 3.37Å; A76-Q80 PolarHBondContact O-N 3.42Å |
| 77 | F | 95.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.8 | -44.8 | 176.7 | -173.5 | -87.1 | 0 | 0 | 0 | 111.9 | V73 T74 Q80 F81 I88 I100 F103 L107 V109 | V73-F77 VanDerWaalsContact O-CB 3.25Å; V73-F77 WeakPolarHBondContact O-CB 3.28Å; V73-F77 PolarHBondContact O-N 2.91Å; T74-F77 PolarHBondContact O-N 3.03Å; F77-Q80 PolarHBondContact O-N 3.18Å; F77-F81 WeakPolarHBondContact O-CB 3.28Å; F77-F81 PolarHBondContact O-N 3.3Å; F77-I88 HydrophobicContact CD2-CD1 3.75Å; F77-I88 HydrophobicContact CE2-CD1 3.65Å; F77-I88 HydrophobicContact CZ-CD1 4.41Å; F77-I100 HydrophobicContact CD2-CD1 4.32Å; F77-F103 HydrophobicContact CD1-CB 3.95Å; F77-F103 AromaticContact CD1-CD1 3.98Å; F77-F103 HydrophobicContact CD1-CD1 3.98Å; F77-F103 AromaticContact CD1-CG 3.96Å; F77-F103 HydrophobicContact CD1-CG 3.96Å; F77-F103 HydrophobicContact CE1-CB 3.53Å; F77-F103 AromaticContact CE1-CD1 3.88Å; F77-F103 HydrophobicContact CE1-CD1 3.88Å; F77-F103 AromaticContact CE1-CG 3.92Å; F77-F103 HydrophobicContact CE1-CG 3.92Å; F77-F103 HydrophobicContact CE2-CB 4.28Å; F77-F103 HydrophobicContact CG-CB 4.49Å; F77-F103 HydrophobicContact CZ-CB 3.72Å; F77-L107 HydrophobicContact CE1-CD1 3.75Å; F77-V109 HydrophobicContact CZ-CB 4.28Å; F77-V109 HydrophobicContact CZ-CG2 4.48Å |
| 78 | C | 94.1 | Very high | 93.5 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 11% | 0.108 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64 | -41.8 | 175.6 | -70 | 0 | 0 | 0 | 0 | 112.7 | T74 N75 A76 Q80 F81 S82 C330 | T74-C78 WeakPolarHBondContact O-CB 3.39Å; T74-C78 PolarHBondContact O-N 3.45Å; T74-C78 PolarHBondContact O-SG 2.87Å; N75-C78 PolarHBondContact O-N 2.94Å; A76-C78 VanDerWaalsContact C-N 3.35Å; A76-C78 PolarHBondContact O-N 3.33Å; C78-Q80 PolarHBondContact O-N 2.81Å; C78-F81 PolarHBondContact O-N 2.69Å; C78-S82 PolarHBondContact O-N 2.68Å; C78-S82 PolarHBondContact O-OG 2.95Å; C78-C330 HydrophobicContact CB-CB 3.78Å; C78-C330 WeakPolarHBondContact CB-SG 3.13Å; C78-C330 WeakPolarHBondContact SG-CB 3.45Å; C78-C330 CovalentContact SG-SG 2.01Å; C78-C330 PolarHBondContact SG-SG 3.25Å |
| 79 | S | 94.3 | Very high | 94 | Very high | 39 Ų | 39 | 35.3 Ų | 35.3 | 27% | 0.273 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -57.1 | -47.7 | 173.1 | 168.8 | 0 | 0 | 0 | 0 | 111.6 | N75 A76 S82 R83 | N75-S79 WeakPolarHBondContact O-CB 3.38Å; N75-S79 PolarHBondContact O-N 3.16Å; A76-S79 WeakPolarHBondContact O-CB 3.49Å; A76-S79 PolarHBondContact O-N 2.9Å; S79-S82 PolarHBondContact O-N 3.07Å; S79-R83 VanDerWaalsContact O-CG 3.27Å; S79-R83 WeakPolarHBondContact O-CG 3.41Å; S79-R83 PolarHBondContact O-N 3.27Å; S79-R83 VanDerWaalsContact O-N 3.07Å |
| 80 | Q | 93.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.3 | -41 | 177.5 | -65.5 | -66.9 | -15.1 | 0 | 0 | 111.8 | G30 L32 H61 D63 A76 F77 C78 R83 G84 V85 I88 | G30-Q80 VanDerWaalsContact CA-OE1 3.22Å; L32-Q80 HydrophobicContact CD1-CG 4.17Å; H61-Q80 PolarHBondContact O-NE2 2.81Å; D63-Q80 WeakPolarHBondContact OD2-CG 3.34Å; D63-Q80 PolarHBondContact OD2-NE2 3.47Å; A76-Q80 VanDerWaalsContact O-CG 3.26Å; A76-Q80 WeakPolarHBondContact O-CG 3.37Å; A76-Q80 PolarHBondContact O-N 3.42Å; F77-Q80 PolarHBondContact O-N 3.18Å; C78-Q80 PolarHBondContact O-N 2.81Å; Q80-R83 WeakPolarHBondContact O-CB 3.36Å; Q80-R83 PolarHBondContact O-N 3.37Å; Q80-G84 PolarHBondContact O-N 3.45Å; Q80-V85 HydrophobicContact CB-CG1 4.5Å; Q80-V85 HydrophobicContact CB-CG2 4.11Å; Q80-V85 WeakPolarHBondContact O-CG2 3.21Å; Q80-V85 PolarHBondContact O-N 2.81Å; Q80-I88 HydrophobicContact CB-CD1 4.03Å |
| 81 | F | 92.4 | Very high | 94.1 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 4% | 0.039 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.4 | -49 | 176.3 | -175.8 | -103.1 | 0 | 0 | 0 | 111.8 | F77 C78 R83 G84 L107 V109 A327 C330 | F77-F81 WeakPolarHBondContact O-CB 3.28Å; F77-F81 PolarHBondContact O-N 3.3Å; C78-F81 PolarHBondContact O-N 2.69Å; F81-R83 VanDerWaalsContact C-N 3.27Å; F81-R83 PolarHBondContact O-N 3.01Å; F81-G84 WeakPolarHBondContact O-CA 3.34Å; F81-G84 PolarHBondContact O-N 3.35Å; F81-L107 HydrophobicContact CD1-CD1 4.08Å; F81-L107 HydrophobicContact CD2-CB 4.33Å; F81-L107 HydrophobicContact CD2-CD1 3.62Å; F81-L107 HydrophobicContact CE1-CD1 4.1Å; F81-L107 HydrophobicContact CE2-CB 3.86Å; F81-L107 HydrophobicContact CE2-CD1 3.64Å; F81-L107 HydrophobicContact CE2-CD2 4.47Å; F81-L107 HydrophobicContact CE2-CG 4.2Å; F81-L107 HydrophobicContact CG-CD1 3.83Å; F81-L107 HydrophobicContact CZ-CB 4.44Å; F81-L107 HydrophobicContact CZ-CD1 3.88Å; F81-L107 HydrophobicContact CZ-CD2 4.23Å; F81-L107 HydrophobicContact CZ-CG 4.42Å; F81-V109 HydrophobicContact CD2-CG2 3.91Å; F81-V109 HydrophobicContact CE2-CG2 4.13Å; F81-A327 HydrophobicContact CD1-CB 4Å; F81-A327 HydrophobicContact CD2-CB 4.45Å; F81-A327 HydrophobicContact CE1-CB 3.71Å; F81-A327 WeakPolarHBondContact CE1-O 3.35Å; F81-A327 HydrophobicContact CE2-CB 4.2Å; F81-A327 HydrophobicContact CG-CB 4.38Å; F81-A327 HydrophobicContact CZ-CB 3.82Å; F81-A327 WeakPolarHBondContact O-CB 3.43Å; F81-C330 HydrophobicContact CD1-CB 4.01Å; F81-C330 HydrophobicContact CG-CB 4.47Å |
| 82 | S | 91 | Very high | 94.1 | Very high | 59 Ų | 59 | 24.2 Ų | 24.2 | 41% | 0.413 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -64.1 | -29.4 | 178.4 | -64.4 | 0 | 0 | 0 | 0 | 113.1 | C78 S79 G84 G328 | C78-S82 PolarHBondContact O-N 2.68Å; C78-S82 PolarHBondContact O-OG 2.95Å; S79-S82 PolarHBondContact O-N 3.07Å; S82-G84 PolarHBondContact O-N 3.06Å; S82-G328 PolarHBondContact OG-O 3.4Å |
| 83 | R | 90.2 | Very high | 93.9 | Very high | 124 Ų | 124 | 24 Ų | 24 | 47% | 0.468 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -67.4 | -16.4 | 170.4 | -73.4 | 170 | -174.1 | -111 | 1.3 | 113.4 | Q28 H61 S79 Q80 F81 V85 | Q28-R83 PolarHBondContact OE1-O 3.4Å; H61-R83 PolarHBondContact ND1-NH1 3.48Å; S79-R83 VanDerWaalsContact O-CG 3.27Å; S79-R83 WeakPolarHBondContact O-CG 3.41Å; S79-R83 PolarHBondContact O-N 3.27Å; S79-R83 VanDerWaalsContact O-N 3.07Å; Q80-R83 WeakPolarHBondContact O-CB 3.36Å; Q80-R83 PolarHBondContact O-N 3.37Å; F81-R83 VanDerWaalsContact C-N 3.27Å; F81-R83 PolarHBondContact O-N 3.01Å; R83-V85 HydrophobicContact CB-CG1 4.48Å |
| 84 | G | 89.3 | Confident | 93.7 | Very high | 10 Ų | 10 | 27.1 Ų | 27.1 | 10% | 0.103 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | 24.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q80 F81 S82 R323 | Q80-G84 PolarHBondContact O-N 3.45Å; F81-G84 WeakPolarHBondContact O-CA 3.34Å; F81-G84 PolarHBondContact O-N 3.35Å; S82-G84 PolarHBondContact O-N 3.06Å; G84-R323 VanDerWaalsContact CA-NH1 3.3Å; G84-R323 PolarHBondContact O-NH1 3.47Å |
| 85 | V | 92.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | trans | -59.1 | 148.3 | -179.5 | -58.2 | 0 | 0 | 0 | 0 | 113.1 | Q28 Q80 R83 I88 R323 | Q28-V85 HydrophobicContact CB-CG1 4.46Å; Q28-V85 WeakPolarHBondContact O-CA 3.24Å; Q80-V85 HydrophobicContact CB-CG1 4.5Å; Q80-V85 HydrophobicContact CB-CG2 4.11Å; Q80-V85 WeakPolarHBondContact O-CG2 3.21Å; Q80-V85 PolarHBondContact O-N 2.81Å; R83-V85 HydrophobicContact CB-CG1 4.48Å; V85-I88 HydrophobicContact CG2-CD1 4.15Å; V85-I88 HydrophobicContact CG2-CG1 3.73Å; V85-R323 PolarHBondContact O-NH1 3.28Å | ||
| 86 | Y | 92.8 | Very high | 93.5 | Very high | 36 Ų | 36 | 27 Ų | 27 | 14% | 0.141 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -87.1 | -32.6 | -179.8 | -65.7 | -74.3 | 0 | 0 | 0 | 113.1 | I27 Q28 I321 W338 | I27-Y86 HydrophobicContact CB-CD2 4.48Å; I27-Y86 HydrophobicContact CG2-CD2 3.56Å; I27-Y86 HydrophobicContact CG2-CE2 4.27Å; I27-Y86 HydrophobicContact CG2-CG 4.17Å; Q28-Y86 WeakPolarHBondContact O-CD2 3.14Å; Q28-Y86 PolarHBondContact O-N 2.95Å; Y86-I321 HydrophobicContact CD1-CD1 4.29Å; Y86-I321 HydrophobicContact CE1-CB 4.42Å; Y86-I321 HydrophobicContact CE1-CD1 4.45Å; Y86-I321 HydrophobicContact CE1-CG1 4.33Å; Y86-I321 WeakPolarHBondContact CE1-O 3.47Å; Y86-W338 AromaticContact CD1-CH2 3.76Å; Y86-W338 HydrophobicContact CD1-CH2 3.76Å; Y86-W338 HydrophobicContact CD1-CZ3 4.1Å; Y86-W338 HydrophobicContact CE1-CZ3 4.45Å |
| 87 | A | 94.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 152.9 | 178 | 0 | 0 | 0 | 0 | 0 | 109.6 | I29 G30 I112 M307 F311 | I29-A87 WeakPolarHBondContact CA-O 3.32Å; G30-A87 PolarHBondContact N-O 3.41Å; A87-I112 HydrophobicContact CB-CD1 4.03Å; A87-M307 HydrophobicContact CB-CE 4.27Å; A87-F311 HydrophobicContact CB-CZ 4.25Å |
| 88 | I | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.2 | 176.4 | -63.4 | 177.7 | 0 | 0 | 0 | 108.4 | G30 L32 F77 Q80 V85 V109 S110 F111 I112 | G30-I88 CarbonylContact O-C 3.26Å; G30-I88 WeakPolarHBondContact O-CA 3.17Å; L32-I88 HydrophobicContact CD1-CG2 3.62Å; F77-I88 HydrophobicContact CD2-CD1 3.75Å; F77-I88 HydrophobicContact CE2-CD1 3.65Å; F77-I88 HydrophobicContact CZ-CD1 4.41Å; Q80-I88 HydrophobicContact CB-CD1 4.03Å; V85-I88 HydrophobicContact CG2-CD1 4.15Å; V85-I88 HydrophobicContact CG2-CG1 3.73Å; I88-V109 HydrophobicContact CD1-CG1 3.84Å; I88-V109 HydrophobicContact CG1-CG1 3.92Å; I88-S110 PolarHBondContact N-O 3.35Å; I88-F111 HydrophobicContact CB-CD2 3.92Å; I88-F111 HydrophobicContact CB-CE2 4.4Å; I88-F111 HydrophobicContact CG2-CD2 3.62Å; I88-F111 HydrophobicContact CG2-CE2 3.58Å; I88-F111 CarbonylContact O-C 3.5Å; I88-F111 VanDerWaalsContact O-CA 3.26Å; I88-F111 WeakPolarHBondContact O-CA 3.29Å; I88-I112 PolarHBondContact O-N 3.09Å |
| 89 | F | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 137.7 | 167.1 | 173.3 | -97 | 0 | 0 | 0 | 109 | G30 G31 L32 F33 F44 F91 I112 P114 T300 A303 M307 | G30-F89 PolarHBondContact O-N 2.89Å; G31-F89 CarbonylContact C-O 3.59Å; G31-F89 VanDerWaalsContact CA-O 3.25Å; G31-F89 WeakPolarHBondContact CA-O 3.49Å; L32-F89 PolarHBondContact N-O 2.95Å; F33-F89 HydrophobicContact CE1-CD1 4.35Å; F33-F89 AromaticContact CE1-CE1 3.77Å; F33-F89 HydrophobicContact CE1-CE1 3.77Å; F33-F89 HydrophobicContact CE2-CD1 4.18Å; F33-F89 HydrophobicContact CE2-CE1 4.41Å; F33-F89 AromaticContact CZ-CD1 3.69Å; F33-F89 HydrophobicContact CZ-CD1 3.69Å; F33-F89 AromaticContact CZ-CE1 3.55Å; F33-F89 HydrophobicContact CZ-CE1 3.55Å; F44-F89 AromaticContact CD2-CD1 3.86Å; F44-F89 HydrophobicContact CD2-CD1 3.86Å; F44-F89 AromaticContact CD2-CE1 3.98Å; F44-F89 HydrophobicContact CD2-CE1 3.98Å; F44-F89 HydrophobicContact CD2-CG 4.5Å; F44-F89 HydrophobicContact CE2-CB 4.4Å; F44-F89 AromaticContact CE2-CD1 3.81Å; F44-F89 HydrophobicContact CE2-CD1 3.81Å; F44-F89 HydrophobicContact CE2-CE1 4.4Å; F44-F89 HydrophobicContact CE2-CG 4.15Å; F89-F91 HydrophobicContact CE1-CE2 4.28Å; F89-F91 HydrophobicContact CZ-CE2 4.4Å; F89-I112 WeakPolarHBondContact CA-O 3.47Å; F89-I112 HydrophobicContact CD2-CB 4.14Å; F89-I112 HydrophobicContact CD2-CG2 4.08Å; F89-I112 WeakPolarHBondContact CD2-O 3.46Å; F89-P114 HydrophobicContact CE2-CG 4.33Å; F89-P114 HydrophobicContact CZ-CG 4Å; F89-T300 HydrophobicContact CE1-CG2 3.72Å; F89-T300 HydrophobicContact CZ-CG2 3.49Å; F89-T300 VanDerWaalsContact CZ-CG2 3.49Å; F89-A303 HydrophobicContact CD2-CB 3.8Å; F89-A303 HydrophobicContact CE2-CB 3.4Å; F89-A303 HydrophobicContact CZ-CB 4.35Å; F89-M307 HydrophobicContact CB-SD 4.02Å |
| 90 | G | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.7 | -177.3 | 172 | 0 | 0 | 0 | 0 | 0 | 115.3 | L32 I112 T113 | L32-G90 WeakPolarHBondContact O-CA 3.39Å; G90-I112 PolarHBondContact N-O 3.06Å; G90-T113 VanDerWaalsContact O-CA 3.31Å; G90-T113 WeakPolarHBondContact O-CA 3.43Å; G90-T113 WeakPolarHBondContact O-CB 3.09Å; G90-T113 PolarHBondContact O-OG1 2.97Å |
| 91 | F | 95.7 | Very high | 93.5 | Very high | 21 Ų | 21 | 31.3 Ų | 31.3 | 9% | 0.092 | 15% | 0.153 | C | C | . | . | trans | -103.2 | 148.4 | 178.6 | -63 | -106.2 | 0 | 0 | 0 | 109.8 | L32 F33 P34 E40 V67 F89 P114 | L32-F91 PolarHBondContact O-N 2.68Å; L32-F91 VanDerWaalsContact O-N 3.16Å; F33-F91 HydrophobicContact CD1-CE2 4.06Å; F33-F91 HydrophobicContact CE1-CE2 4.22Å; P34-F91 VanDerWaalsContact CD-CD2 3.44Å; P34-F91 HydrophobicContact CG-CB 3.65Å; P34-F91 HydrophobicContact CG-CD1 4.42Å; P34-F91 HydrophobicContact CG-CD2 4.08Å; P34-F91 HydrophobicContact CG-CG 3.81Å; E40-F91 HydrophobicContact CB-CE2 4.29Å; E40-F91 HydrophobicContact CB-CZ 3.83Å; E40-F91 HydrophobicContact CG-CE1 4.27Å; E40-F91 HydrophobicContact CG-CZ 3.7Å; V67-F91 HydrophobicContact CG1-CB 4.36Å; F89-F91 HydrophobicContact CE1-CE2 4.28Å; F89-F91 HydrophobicContact CZ-CE2 4.4Å; F91-P114 HydrophobicContact CD1-CG 3.89Å; F91-P114 HydrophobicContact CD2-CG 4.49Å; F91-P114 HydrophobicContact CE1-CB 4.41Å; F91-P114 HydrophobicContact CE1-CG 3.34Å; F91-P114 HydrophobicContact CE2-CG 3.98Å; F91-P114 HydrophobicContact CG-CG 4.44Å; F91-P114 HydrophobicContact CZ-CG 3.35Å | ||
| 92 | Y | 94.2 | Very high | 93.6 | Very high | 7 Ų | 7 | 34.4 Ų | 34.4 | 3% | 0.027 | 18% | 0.176 | C | C | . | . | trans | -123.6 | 159.8 | 162.5 | 56.7 | -109.6 | 0 | 0 | 0 | 110.4 | V97 F111 T113 S115 F116 T118 | Y92-V97 HydrophobicContact CD1-CG2 4.49Å; Y92-V97 HydrophobicContact CD2-CB 3.73Å; Y92-V97 HydrophobicContact CD2-CG2 3.75Å; Y92-V97 HydrophobicContact CE1-CG2 4.37Å; Y92-V97 HydrophobicContact CE2-CB 4.14Å; Y92-V97 HydrophobicContact CE2-CG2 3.68Å; Y92-V97 HydrophobicContact CG-CB 4.18Å; Y92-V97 HydrophobicContact CG-CG2 4.19Å; Y92-F111 AromaticContact CD1-CE1 3.91Å; Y92-F111 HydrophobicContact CD1-CE1 3.91Å; Y92-F111 HydrophobicContact CE1-CE1 4.48Å; Y92-T113 HydrophobicContact CD1-CG2 4.18Å; Y92-T113 HydrophobicContact CE1-CG2 3.38Å; Y92-S115 PolarHBondContact N-OG 3.48Å; Y92-S115 VanDerWaalsContact N-OG 3.07Å; Y92-S115 PolarHBondContact O-OG 2.92Å; Y92-F116 AromaticContact CD2-CE1 3.84Å; Y92-F116 HydrophobicContact CD2-CE1 3.84Å; Y92-F116 AromaticContact CD2-CZ 3.82Å; Y92-F116 HydrophobicContact CD2-CZ 3.82Å; Y92-F116 HydrophobicContact CE2-CD1 4.13Å; Y92-F116 HydrophobicContact CE2-CD2 4.25Å; Y92-F116 AromaticContact CE2-CE1 3.74Å; Y92-F116 HydrophobicContact CE2-CE1 3.74Å; Y92-F116 AromaticContact CE2-CE2 3.87Å; Y92-F116 HydrophobicContact CE2-CE2 3.87Å; Y92-F116 HydrophobicContact CE2-CG 4.35Å; Y92-F116 AromaticContact CE2-CZ 3.58Å; Y92-F116 HydrophobicContact CE2-CZ 3.58Å; Y92-F116 WeakPolarHBondContact CE2-O 3.44Å; Y92-F116 PolarHBondContact OH-O 2.89Å; Y92-T118 HydrophobicContact CE1-CG2 4.48Å; Y92-T118 WeakPolarHBondContact OH-CG2 3.29Å | ||
| 93 | D | 92.3 | Very high | 93.8 | Very high | 25 Ų | 25 | 33.3 Ų | 33.3 | 13% | 0.134 | 16% | 0.164 | C | C | . | . | trans | -105 | 166.2 | 170.1 | 178.4 | 31.1 | 0 | 0 | 0 | 109.5 | V67 K95 S96 V97 | V67-D93 HydrophobicContact CB-CB 4.28Å; V67-D93 HydrophobicContact CG2-CB 4.11Å; D93-K95 PolarHBondContact O-N 3.06Å; D93-K95 VanDerWaalsContact O-N 3.14Å; D93-S96 PolarHBondContact N-OG 3.22Å; D93-S96 PolarHBondContact O-N 3.04Å; D93-S96 PolarHBondContact O-OG 2.74Å; D93-V97 PolarHBondContact O-N 3.5Å | ||
| 94 | K | 90.9 | Very high | 94 | Very high | 68 Ų | 68 | 27.4 Ų | 27.4 | 30% | 0.296 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -27 | 175.2 | -174.6 | 58.9 | 179.6 | 174.8 | 0 | 112.9 | V97 F116 D119 | K94-V97 HydrophobicContact CD-CG1 4.38Å; K94-V97 WeakPolarHBondContact O-CG1 3.26Å; K94-F116 HydrophobicContact CB-CE1 4.46Å; K94-F116 HydrophobicContact CB-CZ 4.05Å; K94-F116 HydrophobicContact CD-CE2 4.27Å; K94-F116 HydrophobicContact CD-CZ 4.13Å; K94-D119 IonicContact NZ-OD2 2.7Å; K94-D119 PolarHBondContact NZ-OD2 3.33Å |
| 95 | K | 91.8 | Very high | 94.1 | Very high | 138 Ų | 138 | 28.1 Ų | 28.1 | 60% | 0.6 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -31.9 | 175.9 | -62.7 | 176.5 | -174.2 | 168 | 0 | 113.4 | S70 D93 | S70-K95 PolarHBondContact OG-O 2.95Å; S70-K95 VanDerWaalsContact OG-O 3.12Å; D93-K95 PolarHBondContact O-N 3.06Å; D93-K95 VanDerWaalsContact O-N 3.14Å |
| 96 | S | 94 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -11.8 | -175.4 | 53 | 0 | 0 | 0 | 0 | 114.6 | V67 D93 N98 T99 I100 | V67-S96 WeakPolarHBondContact O-CB 3.36Å; V67-S96 PolarHBondContact O-OG 3.27Å; D93-S96 PolarHBondContact N-OG 3.22Å; D93-S96 PolarHBondContact O-N 3.04Å; D93-S96 PolarHBondContact O-OG 2.74Å; S96-N98 VanDerWaalsContact C-N 3.28Å; S96-N98 PolarHBondContact O-N 2.91Å; S96-T99 WeakPolarHBondContact O-CA 3.43Å; S96-T99 VanDerWaalsContact O-CB 3.3Å; S96-T99 WeakPolarHBondContact O-CB 3.31Å; S96-T99 PolarHBondContact O-N 3.32Å; S96-I100 PolarHBondContact O-N 3.38Å |
| 97 | V | 93.7 | Very high | 94.1 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.03 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.6 | -40.5 | 179.4 | 68.5 | 0 | 0 | 0 | 0 | 112.8 | Y92 D93 K94 T99 I100 T101 T118 | Y92-V97 HydrophobicContact CD1-CG2 4.49Å; Y92-V97 HydrophobicContact CD2-CB 3.73Å; Y92-V97 HydrophobicContact CD2-CG2 3.75Å; Y92-V97 HydrophobicContact CE1-CG2 4.37Å; Y92-V97 HydrophobicContact CE2-CB 4.14Å; Y92-V97 HydrophobicContact CE2-CG2 3.68Å; Y92-V97 HydrophobicContact CG-CB 4.18Å; Y92-V97 HydrophobicContact CG-CG2 4.19Å; D93-V97 PolarHBondContact O-N 3.5Å; K94-V97 HydrophobicContact CD-CG1 4.38Å; K94-V97 WeakPolarHBondContact O-CG1 3.26Å; V97-T99 VanDerWaalsContact C-N 3.32Å; V97-T99 PolarHBondContact O-N 3.23Å; V97-I100 PolarHBondContact O-N 3.26Å; V97-T101 HydrophobicContact CG2-CG2 4.27Å; V97-T101 WeakPolarHBondContact O-CB 3.14Å; V97-T101 VanDerWaalsContact O-CG2 3.28Å; V97-T101 WeakPolarHBondContact O-CG2 3.42Å; V97-T101 PolarHBondContact O-N 3.09Å; V97-T101 PolarHBondContact O-OG1 3.03Å; V97-T118 HydrophobicContact CG2-CG2 4.01Å |
| 98 | N | 93.6 | Very high | 94.1 | Very high | 110 Ų | 110 | 32.5 Ų | 32.5 | 59% | 0.588 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -68.1 | -33.1 | 178.1 | -69.9 | -20 | 0 | 0 | 0 | 112 | S96 T101 S102 | S96-N98 VanDerWaalsContact C-N 3.28Å; S96-N98 PolarHBondContact O-N 2.91Å; N98-T101 WeakPolarHBondContact CA-OG1 3.38Å; N98-T101 PolarHBondContact O-OG1 3.28Å; N98-S102 WeakPolarHBondContact O-CB 3.26Å; N98-S102 PolarHBondContact O-N 3.11Å; N98-S102 VanDerWaalsContact O-N 3.14Å |
| 99 | T | 95.2 | Very high | 93.9 | Very high | 28 Ų | 28 | 32.6 Ų | 32.6 | 17% | 0.172 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.8 | -52.4 | 174.7 | -56.2 | 0 | 0 | 0 | 0 | 110 | T74 S96 V97 S102 F103 | T74-T99 WeakPolarHBondContact OG1-CG2 3.19Å; S96-T99 WeakPolarHBondContact O-CA 3.43Å; S96-T99 VanDerWaalsContact O-CB 3.3Å; S96-T99 WeakPolarHBondContact O-CB 3.31Å; S96-T99 PolarHBondContact O-N 3.32Å; V97-T99 VanDerWaalsContact C-N 3.32Å; V97-T99 PolarHBondContact O-N 3.23Å; T99-S102 PolarHBondContact O-N 2.82Å; T99-F103 HydrophobicContact CG2-CD2 3.77Å; T99-F103 HydrophobicContact CG2-CE2 3.83Å; T99-F103 VanDerWaalsContact O-CD2 3.28Å; T99-F103 WeakPolarHBondContact O-CD2 3.25Å; T99-F103 PolarHBondContact O-N 3.03Å |
| 100 | I | 95.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.6 | -50.6 | -179.3 | -67.5 | -62.6 | 0 | 0 | 0 | 111.3 | V73 F77 S96 V97 S102 F103 C104 F111 | V73-I100 HydrophobicContact CG1-CD1 3.42Å; V73-I100 VanDerWaalsContact CG1-CD1 3.42Å; V73-I100 HydrophobicContact CG1-CG1 3.95Å; F77-I100 HydrophobicContact CD2-CD1 4.32Å; S96-I100 PolarHBondContact O-N 3.38Å; V97-I100 PolarHBondContact O-N 3.26Å; I100-S102 VanDerWaalsContact C-N 3.31Å; I100-S102 PolarHBondContact O-N 3.43Å; I100-F103 PolarHBondContact O-N 3.34Å; I100-C104 WeakPolarHBondContact O-CB 3.37Å; I100-C104 PolarHBondContact O-N 2.92Å; I100-C104 PolarHBondContact O-SG 3.37Å; I100-F111 HydrophobicContact CD1-CE2 3.98Å; I100-F111 HydrophobicContact CD1-CZ 4.27Å; I100-F111 HydrophobicContact CG1-CZ 4.42Å; I100-F111 HydrophobicContact CG2-CB 4.42Å; I100-F111 HydrophobicContact CG2-CD1 3.74Å; I100-F111 HydrophobicContact CG2-CD2 3.9Å; I100-F111 HydrophobicContact CG2-CE1 3.87Å; I100-F111 HydrophobicContact CG2-CE2 4.03Å; I100-F111 HydrophobicContact CG2-CG 3.75Å; I100-F111 HydrophobicContact CG2-CZ 4.03Å |
| 101 | T | 94.6 | Very high | 93.9 | Very high | 13 Ų | 13 | 32.6 Ų | 32.6 | 8% | 0.08 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.8 | -39.2 | -178.7 | 50.3 | 0 | 0 | 0 | 0 | 112.3 | V97 N98 G105 T118 H122 V125 | V97-T101 HydrophobicContact CG2-CG2 4.27Å; V97-T101 WeakPolarHBondContact O-CB 3.14Å; V97-T101 VanDerWaalsContact O-CG2 3.28Å; V97-T101 WeakPolarHBondContact O-CG2 3.42Å; V97-T101 PolarHBondContact O-N 3.09Å; V97-T101 PolarHBondContact O-OG1 3.03Å; N98-T101 WeakPolarHBondContact CA-OG1 3.38Å; N98-T101 PolarHBondContact O-OG1 3.28Å; T101-G105 PolarHBondContact O-N 2.9Å; T101-G105 VanDerWaalsContact O-N 3.08Å; T101-T118 HydrophobicContact CG2-CG2 4.41Å; T101-H122 HydrophobicContact CG2-CB 4.02Å; T101-V125 HydrophobicContact CG2-CG2 4.27Å |
| 102 | S | 94.4 | Very high | 94 | Very high | 74 Ų | 74 | 31.6 Ų | 31.6 | 52% | 0.517 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.8 | -47.7 | 176.1 | -175.9 | 0 | 0 | 0 | 0 | 112.6 | N98 T99 I100 T106 | N98-S102 WeakPolarHBondContact O-CB 3.26Å; N98-S102 PolarHBondContact O-N 3.11Å; N98-S102 VanDerWaalsContact O-N 3.14Å; T99-S102 PolarHBondContact O-N 2.82Å; I100-S102 VanDerWaalsContact C-N 3.31Å; I100-S102 PolarHBondContact O-N 3.43Å; S102-T106 WeakPolarHBondContact O-CB 3.35Å; S102-T106 PolarHBondContact O-N 2.84Å; S102-T106 VanDerWaalsContact O-N 3.1Å; S102-T106 PolarHBondContact O-OG1 3.43Å |
| 103 | F | 94.3 | Very high | 94.2 | Very high | 36 Ų | 36 | 31.3 Ų | 31.3 | 16% | 0.158 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.8 | -41.7 | 179.5 | -87.9 | -72.3 | 0 | 0 | 0 | 112.8 | T74 F77 T99 I100 T106 L107 | T74-F103 HydrophobicContact CG2-CE2 3.85Å; T74-F103 HydrophobicContact CG2-CZ 3.73Å; F77-F103 HydrophobicContact CD1-CB 3.95Å; F77-F103 AromaticContact CD1-CD1 3.98Å; F77-F103 HydrophobicContact CD1-CD1 3.98Å; F77-F103 AromaticContact CD1-CG 3.96Å; F77-F103 HydrophobicContact CD1-CG 3.96Å; F77-F103 HydrophobicContact CE1-CB 3.53Å; F77-F103 AromaticContact CE1-CD1 3.88Å; F77-F103 HydrophobicContact CE1-CD1 3.88Å; F77-F103 AromaticContact CE1-CG 3.92Å; F77-F103 HydrophobicContact CE1-CG 3.92Å; F77-F103 HydrophobicContact CE2-CB 4.28Å; F77-F103 HydrophobicContact CG-CB 4.49Å; F77-F103 HydrophobicContact CZ-CB 3.72Å; T99-F103 HydrophobicContact CG2-CD2 3.77Å; T99-F103 HydrophobicContact CG2-CE2 3.83Å; T99-F103 VanDerWaalsContact O-CD2 3.28Å; T99-F103 WeakPolarHBondContact O-CD2 3.25Å; T99-F103 PolarHBondContact O-N 3.03Å; I100-F103 PolarHBondContact O-N 3.34Å; F103-T106 PolarHBondContact O-N 3.08Å; F103-L107 HydrophobicContact CD1-CD1 4.42Å; F103-L107 PolarHBondContact O-N 3.3Å |
| 104 | C | 94.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66 | -41.7 | 179.7 | -62.6 | 0 | 0 | 0 | 0 | 111.4 | I100 T106 H108 V109 F111 F124 | I100-C104 WeakPolarHBondContact O-CB 3.37Å; I100-C104 PolarHBondContact O-N 2.92Å; I100-C104 PolarHBondContact O-SG 3.37Å; C104-T106 VanDerWaalsContact C-N 3.32Å; C104-T106 PolarHBondContact O-N 2.77Å; C104-H108 WeakPolarHBondContact O-CA 3.42Å; C104-H108 PolarHBondContact O-N 3.29Å; C104-V109 WeakPolarHBondContact CB-O 3.5Å; C104-F111 VanDerWaalsContact SG-CB 3.59Å; C104-F124 HydrophobicContact CB-CB 4.06Å; C104-F124 WeakPolarHBondContact O-CD2 3.33Å |
| 105 | G | 92.6 | Very high | 94.5 | Very high | 25 Ų | 25 | 27.2 Ų | 27.2 | 26% | 0.258 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63 | -35.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T101 H108 | T101-G105 PolarHBondContact O-N 2.9Å; T101-G105 VanDerWaalsContact O-N 3.08Å; G105-H108 PolarHBondContact O-ND1 3.06Å |
| 106 | T | 92.5 | Very high | 94.5 | Very high | 75 Ų | 75 | 21.4 Ų | 21.4 | 46% | 0.46 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -78.1 | -51.8 | -179.2 | -53.4 | 0 | 0 | 0 | 0 | 111.7 | S102 F103 C104 H108 | S102-T106 WeakPolarHBondContact O-CB 3.35Å; S102-T106 PolarHBondContact O-N 2.84Å; S102-T106 VanDerWaalsContact O-N 3.1Å; S102-T106 PolarHBondContact O-OG1 3.43Å; F103-T106 PolarHBondContact O-N 3.08Å; C104-T106 VanDerWaalsContact C-N 3.32Å; C104-T106 PolarHBondContact O-N 2.77Å; T106-H108 PolarHBondContact O-ND1 2.85Å; T106-H108 VanDerWaalsContact O-ND1 3.17Å |
| 107 | L | 92.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -88.9 | -2.3 | -172.4 | -58.1 | -171.3 | 0 | 0 | 0 | 114.4 | F77 F81 F103 V109 C330 A335 | F77-L107 HydrophobicContact CE1-CD1 3.75Å; F81-L107 HydrophobicContact CD1-CD1 4.08Å; F81-L107 HydrophobicContact CD2-CB 4.33Å; F81-L107 HydrophobicContact CD2-CD1 3.62Å; F81-L107 HydrophobicContact CE1-CD1 4.1Å; F81-L107 HydrophobicContact CE2-CB 3.86Å; F81-L107 HydrophobicContact CE2-CD1 3.64Å; F81-L107 HydrophobicContact CE2-CD2 4.47Å; F81-L107 HydrophobicContact CE2-CG 4.2Å; F81-L107 HydrophobicContact CG-CD1 3.83Å; F81-L107 HydrophobicContact CZ-CB 4.44Å; F81-L107 HydrophobicContact CZ-CD1 3.88Å; F81-L107 HydrophobicContact CZ-CD2 4.23Å; F81-L107 HydrophobicContact CZ-CG 4.42Å; F103-L107 HydrophobicContact CD1-CD1 4.42Å; F103-L107 PolarHBondContact O-N 3.3Å; L107-V109 VanDerWaalsContact C-N 3.29Å; L107-V109 HydrophobicContact CB-CG2 3.99Å; L107-V109 PolarHBondContact O-N 3.39Å; L107-C330 HydrophobicContact CD1-CB 4.09Å; L107-A335 HydrophobicContact CD2-CB 3.61Å |
| 108 | H | 94 | Very high | 94.4 | Very high | 51 Ų | 51 | 23.1 Ų | 23.1 | 24% | 0.236 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 44.1 | -179 | -64.8 | 50.3 | 0 | 0 | 0 | 111.9 | C104 G105 T106 F124 P337 W338 | C104-H108 WeakPolarHBondContact O-CA 3.42Å; C104-H108 PolarHBondContact O-N 3.29Å; G105-H108 PolarHBondContact O-ND1 3.06Å; T106-H108 PolarHBondContact O-ND1 2.85Å; T106-H108 VanDerWaalsContact O-ND1 3.17Å; H108-F124 HydrophobicContact CB-CD1 4.48Å; H108-F124 HydrophobicContact CB-CE1 3.86Å; H108-F124 HydrophobicContact CB-CE2 4.01Å; H108-F124 HydrophobicContact CB-CZ 3.62Å; H108-F124 AromaticContact CD2-CE2 3.53Å; H108-F124 AromaticContact CD2-CZ 3.17Å; H108-F124 WeakPolarHBondContact CD2-CZ 3.42Å; H108-F124 AromaticContact CG-CE2 3.61Å; H108-F124 AromaticContact CG-CZ 3.46Å; H108-F124 VanDerWaalsContact CG-CZ 3.46Å; H108-F124 AromaticContact NE2-CE2 3.96Å; H108-F124 AromaticContact NE2-CZ 3.98Å; H108-P337 HydrophobicContact CB-CB 4.1Å; H108-P337 WeakPolarHBondContact ND1-CB 3.41Å; H108-W338 PolarHBondContact O-NE1 3.4Å; H108-W338 VanDerWaalsContact O-NE1 3.09Å |
| 109 | V | 93.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | trans | -104 | 119.8 | 176.8 | -180 | 0 | 0 | 0 | 0 | 108.2 | F77 F81 I88 C104 L107 F111 F124 | F77-V109 HydrophobicContact CZ-CB 4.28Å; F77-V109 HydrophobicContact CZ-CG2 4.48Å; F81-V109 HydrophobicContact CD2-CG2 3.91Å; F81-V109 HydrophobicContact CE2-CG2 4.13Å; I88-V109 HydrophobicContact CD1-CG1 3.84Å; I88-V109 HydrophobicContact CG1-CG1 3.92Å; C104-V109 WeakPolarHBondContact CB-O 3.5Å; L107-V109 VanDerWaalsContact C-N 3.29Å; L107-V109 HydrophobicContact CB-CG2 3.99Å; L107-V109 PolarHBondContact O-N 3.39Å; V109-F111 PolarHBondContact O-N 3.46Å; V109-F124 WeakPolarHBondContact O-CB 3.47Å | ||
| 110 | S | 96.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 123.6 | 179.1 | -67 | 0 | 0 | 0 | 0 | 111 | I88 | I88-S110 PolarHBondContact N-O 3.35Å |
| 111 | F | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 121.9 | 178.7 | -167.1 | -92 | 0 | 0 | 0 | 110.7 | I88 Y92 I100 C104 V109 T113 F124 V125 I126 | I88-F111 HydrophobicContact CB-CD2 3.92Å; I88-F111 HydrophobicContact CB-CE2 4.4Å; I88-F111 HydrophobicContact CG2-CD2 3.62Å; I88-F111 HydrophobicContact CG2-CE2 3.58Å; I88-F111 CarbonylContact O-C 3.5Å; I88-F111 VanDerWaalsContact O-CA 3.26Å; I88-F111 WeakPolarHBondContact O-CA 3.29Å; Y92-F111 AromaticContact CD1-CE1 3.91Å; Y92-F111 HydrophobicContact CD1-CE1 3.91Å; Y92-F111 HydrophobicContact CE1-CE1 4.48Å; I100-F111 HydrophobicContact CD1-CE2 3.98Å; I100-F111 HydrophobicContact CD1-CZ 4.27Å; I100-F111 HydrophobicContact CG1-CZ 4.42Å; I100-F111 HydrophobicContact CG2-CB 4.42Å; I100-F111 HydrophobicContact CG2-CD1 3.74Å; I100-F111 HydrophobicContact CG2-CD2 3.9Å; I100-F111 HydrophobicContact CG2-CE1 3.87Å; I100-F111 HydrophobicContact CG2-CE2 4.03Å; I100-F111 HydrophobicContact CG2-CG 3.75Å; I100-F111 HydrophobicContact CG2-CZ 4.03Å; C104-F111 VanDerWaalsContact SG-CB 3.59Å; V109-F111 PolarHBondContact O-N 3.46Å; F111-T113 HydrophobicContact CD1-CG2 4.4Å; F111-T113 HydrophobicContact CE1-CG2 4.38Å; F111-F124 PolarHBondContact N-O 3.44Å; F111-V125 CarbonylContact O-C 3.59Å; F111-V125 WeakPolarHBondContact O-CA 3.39Å; F111-I126 PolarHBondContact O-N 3.31Å |
| 112 | I | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 130.5 | 179.8 | -55.5 | 87.3 | 0 | 0 | 0 | 108.6 | A87 I88 F89 G90 I126 M128 A303 M307 L348 | A87-I112 HydrophobicContact CB-CD1 4.03Å; I88-I112 PolarHBondContact O-N 3.09Å; F89-I112 WeakPolarHBondContact CA-O 3.47Å; F89-I112 HydrophobicContact CD2-CB 4.14Å; F89-I112 HydrophobicContact CD2-CG2 4.08Å; F89-I112 WeakPolarHBondContact CD2-O 3.46Å; G90-I112 PolarHBondContact N-O 3.06Å; I112-I126 WeakPolarHBondContact CA-O 3.49Å; I112-I126 HydrophobicContact CB-CB 4.5Å; I112-I126 HydrophobicContact CG1-CB 4.1Å; I112-I126 HydrophobicContact CG1-CG1 4.37Å; I112-I126 HydrophobicContact CG2-CB 4.42Å; I112-I126 HydrophobicContact CG2-CG2 4.46Å; I112-M128 HydrophobicContact CG2-CG 4.05Å; I112-M128 HydrophobicContact CG2-SD 4.16Å; I112-A303 HydrophobicContact CG2-CB 4.01Å; I112-M307 HydrophobicContact CD1-CE 4.47Å; I112-M307 HydrophobicContact CD1-CG 4.1Å; I112-M307 HydrophobicContact CD1-SD 4.19Å; I112-M307 HydrophobicContact CG1-CG 4.19Å; I112-L348 HydrophobicContact CD1-CD1 4.23Å; I112-L348 HydrophobicContact CG1-CD1 4.47Å; I112-L348 HydrophobicContact CG1-CD2 4.43Å |
| 113 | T | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 139 | -172.6 | -169.5 | 0 | 0 | 0 | 0 | 114.9 | G90 Y92 F111 S115 V125 I126 Q127 M128 | G90-T113 VanDerWaalsContact O-CA 3.31Å; G90-T113 WeakPolarHBondContact O-CA 3.43Å; G90-T113 WeakPolarHBondContact O-CB 3.09Å; G90-T113 PolarHBondContact O-OG1 2.97Å; Y92-T113 HydrophobicContact CD1-CG2 4.18Å; Y92-T113 HydrophobicContact CE1-CG2 3.38Å; F111-T113 HydrophobicContact CD1-CG2 4.4Å; F111-T113 HydrophobicContact CE1-CG2 4.38Å; T113-S115 WeakPolarHBondContact OG1-CB 3.29Å; T113-S115 PolarHBondContact OG1-N 3.06Å; T113-V125 HydrophobicContact CG2-CG1 4.4Å; T113-I126 PolarHBondContact N-O 3.27Å; T113-Q127 HydrophobicContact CG2-CG 4.41Å; T113-M128 WeakPolarHBondContact O-CB 3.26Å; T113-M128 PolarHBondContact O-N 2.88Å |
| 114 | P | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -92.7 | 5.8 | 168.6 | 38.7 | -36.5 | 0 | 0 | 0 | 113.3 | F89 F91 R129 L299 | F89-P114 HydrophobicContact CE2-CG 4.33Å; F89-P114 HydrophobicContact CZ-CG 4Å; F91-P114 HydrophobicContact CD1-CG 3.89Å; F91-P114 HydrophobicContact CD2-CG 4.49Å; F91-P114 HydrophobicContact CE1-CB 4.41Å; F91-P114 HydrophobicContact CE1-CG 3.34Å; F91-P114 HydrophobicContact CE2-CG 3.98Å; F91-P114 HydrophobicContact CG-CG 4.44Å; F91-P114 HydrophobicContact CZ-CG 3.35Å; P114-R129 VanDerWaalsContact O-CZ 3.32Å; P114-R129 PolarHBondContact O-NE 2.98Å; P114-R129 PolarHBondContact O-NH2 3.42Å; P114-L299 HydrophobicContact CB-CB 3.73Å; P114-L299 HydrophobicContact CB-CD1 4.37Å | ||
| 115 | S | 93.7 | Very high | 93.2 | Very high | 7 Ų | 7 | 25.8 Ų | 25.8 | 5% | 0.049 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -65 | 178.6 | 175.2 | -75.1 | 0 | 0 | 0 | 0 | 112.7 | Y92 T113 R129 | Y92-S115 PolarHBondContact N-OG 3.48Å; Y92-S115 VanDerWaalsContact N-OG 3.07Å; Y92-S115 PolarHBondContact O-OG 2.92Å; T113-S115 WeakPolarHBondContact OG1-CB 3.29Å; T113-S115 PolarHBondContact OG1-N 3.06Å; S115-R129 VanDerWaalsContact C-CZ 3.48Å; S115-R129 VanDerWaalsContact C-NE 3.35Å; S115-R129 WeakPolarHBondContact O-CB 3.22Å; S115-R129 PolarHBondContact O-NE 3.38Å; S115-R129 VanDerWaalsContact O-NE 3.09Å |
| 116 | F | 92.7 | Very high | 93.4 | Very high | 17 Ų | 17 | 24.6 Ų | 24.6 | 8% | 0.075 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 147.8 | -179.8 | 62.1 | -90 | 0 | 0 | 0 | 112.1 | Y92 K94 R156 | Y92-F116 AromaticContact CD2-CE1 3.84Å; Y92-F116 HydrophobicContact CD2-CE1 3.84Å; Y92-F116 AromaticContact CD2-CZ 3.82Å; Y92-F116 HydrophobicContact CD2-CZ 3.82Å; Y92-F116 HydrophobicContact CE2-CD1 4.13Å; Y92-F116 HydrophobicContact CE2-CD2 4.25Å; Y92-F116 AromaticContact CE2-CE1 3.74Å; Y92-F116 HydrophobicContact CE2-CE1 3.74Å; Y92-F116 AromaticContact CE2-CE2 3.87Å; Y92-F116 HydrophobicContact CE2-CE2 3.87Å; Y92-F116 HydrophobicContact CE2-CG 4.35Å; Y92-F116 AromaticContact CE2-CZ 3.58Å; Y92-F116 HydrophobicContact CE2-CZ 3.58Å; Y92-F116 WeakPolarHBondContact CE2-O 3.44Å; Y92-F116 PolarHBondContact OH-O 2.89Å; K94-F116 HydrophobicContact CB-CE1 4.46Å; K94-F116 HydrophobicContact CB-CZ 4.05Å; K94-F116 HydrophobicContact CD-CE2 4.27Å; K94-F116 HydrophobicContact CD-CZ 4.13Å; F116-R156 VanDerWaalsContact CD2-O 3.32Å; F116-R156 WeakPolarHBondContact CD2-O 3.37Å; F116-R156 VanDerWaalsContact CG-O 3.31Å; F116-R156 WeakPolarHBondContact CG-O 3.46Å |
| 117 | P | 92.9 | Very high | 93.6 | Very high | 34 Ų | 34 | 21 Ų | 21 | 22% | 0.221 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 142.4 | -179.6 | -24.6 | 34 | 0 | 0 | 0 | 113.5 | ||
| 118 | T | 91.6 | Very high | 93.7 | Very high | 6 Ų | 6 | 20.9 Ų | 20.9 | 4% | 0.037 | 13% | 0.126 | C | C | . | . | P | Polyproline II helix | trans | -73.3 | 146 | -177.9 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | Y92 V97 T101 G120 H122 Q127 | Y92-T118 HydrophobicContact CE1-CG2 4.48Å; Y92-T118 WeakPolarHBondContact OH-CG2 3.29Å; V97-T118 HydrophobicContact CG2-CG2 4.01Å; T101-T118 HydrophobicContact CG2-CG2 4.41Å; T118-G120 PolarHBondContact O-N 2.99Å; T118-G120 VanDerWaalsContact O-N 3.1Å; T118-H122 PolarHBondContact OG1-CD2 2.91Å; T118-Q127 PolarHBondContact OG1-NE2 3.39Å |
| 119 | D | 84.4 | Confident | 93.8 | Very high | 66 Ų | 66 | 19.2 Ų | 19.2 | 35% | 0.353 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -74.7 | 97.2 | 171.2 | -63.1 | -44.2 | 0 | 0 | 0 | 110 | K94 H122 S159 | K94-D119 IonicContact NZ-OD2 2.7Å; K94-D119 PolarHBondContact NZ-OD2 3.33Å; D119-H122 PolarHBondContact O-NE2 2.88Å; D119-S159 WeakPolarHBondContact OD1-CB 3.49Å; D119-S159 PolarHBondContact OD1-OG 3.25Å |
| 120 | G | 85.7 | Confident | 93.8 | Very high | 39 Ų | 39 | 19.2 Ų | 19.2 | 40% | 0.402 | 12% | 0.118 | S | C | . | . | S | Bend | trans | 116.5 | -159.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T118 K367 | T118-G120 PolarHBondContact O-N 2.99Å; T118-G120 VanDerWaalsContact O-N 3.1Å; G120-K367 WeakPolarHBondContact O-CE 3.41Å; G120-K367 PolarHBondContact O-NZ 2.8Å |
| 121 | T | 90 | Very high | 93.7 | Very high | 89 Ų | 89 | 21.9 Ų | 21.9 | 55% | 0.546 | 13% | 0.132 | S | C | . | . | trans | -121.5 | 106.5 | -179.9 | 52.2 | 0 | 0 | 0 | 0 | 108.9 | N365 | T121-N365 HydrophobicContact CG2-CB 4.28Š| ||
| 122 | H | 92.8 | Very high | 93.5 | Very high | 49 Ų | 49 | 22.3 Ų | 22.3 | 23% | 0.227 | 13% | 0.134 | C | C | . | . | trans | -112.9 | 131.5 | 179.9 | -57.7 | -67.4 | 0 | 0 | 0 | 110.4 | T101 T118 D119 V125 | T101-H122 HydrophobicContact CG2-CB 4.02Å; T118-H122 PolarHBondContact OG1-CD2 2.91Å; D119-H122 PolarHBondContact O-NE2 2.88Å; H122-V125 HydrophobicContact CB-CG2 4.2Å | ||
| 123 | P | 92.7 | Very high | 93.3 | Very high | 66 Ų | 66 | 24.9 Ų | 24.9 | 43% | 0.429 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 159.1 | 174.2 | 32.4 | -35.4 | 0 | 0 | 0 | 110.8 | V125 | P123-V125 PolarHBondContact O-N 3.29Š|
| 124 | F | 95.1 | Very high | 93.1 | Very high | 9 Ų | 9 | 26 Ų | 26 | 4% | 0.039 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 18.9 | 179.4 | -58.1 | -78.8 | 0 | 0 | 0 | 115.5 | C104 H108 V109 F111 V342 E345 | C104-F124 HydrophobicContact CB-CB 4.06Å; C104-F124 WeakPolarHBondContact O-CD2 3.33Å; H108-F124 HydrophobicContact CB-CD1 4.48Å; H108-F124 HydrophobicContact CB-CE1 3.86Å; H108-F124 HydrophobicContact CB-CE2 4.01Å; H108-F124 HydrophobicContact CB-CZ 3.62Å; H108-F124 AromaticContact CD2-CE2 3.53Å; H108-F124 AromaticContact CD2-CZ 3.17Å; H108-F124 WeakPolarHBondContact CD2-CZ 3.42Å; H108-F124 AromaticContact CG-CE2 3.61Å; H108-F124 AromaticContact CG-CZ 3.46Å; H108-F124 VanDerWaalsContact CG-CZ 3.46Å; H108-F124 AromaticContact NE2-CE2 3.96Å; H108-F124 AromaticContact NE2-CZ 3.98Å; V109-F124 WeakPolarHBondContact O-CB 3.47Å; F111-F124 PolarHBondContact N-O 3.44Å; F124-V342 HydrophobicContact CE1-CG2 4.49Å; F124-V342 HydrophobicContact CZ-CG2 4.07Å; F124-E345 WeakPolarHBondContact CA-OE1 3.44Å; F124-E345 HydrophobicContact CD1-CB 3.92Å; F124-E345 HydrophobicContact CD1-CG 4.16Å; F124-E345 HydrophobicContact CE1-CB 3.95Å; F124-E345 HydrophobicContact CE1-CG 4.46Å; F124-E345 PolarHBondContact N-OE1 3.24Å |
| 125 | V | 96.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 118.4 | 177.6 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | T101 F111 T113 H122 P123 Q127 | T101-V125 HydrophobicContact CG2-CG2 4.27Å; F111-V125 CarbonylContact O-C 3.59Å; F111-V125 WeakPolarHBondContact O-CA 3.39Å; T113-V125 HydrophobicContact CG2-CG1 4.4Å; H122-V125 HydrophobicContact CB-CG2 4.2Å; P123-V125 PolarHBondContact O-N 3.29Å; V125-Q127 HydrophobicContact CG1-CG 3.85Å |
| 126 | I | 97 | Very high | 93.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 116.3 | 175 | -52.8 | -58.7 | 0 | 0 | 0 | 108.7 | F111 I112 T113 L348 K349 F362 | F111-I126 PolarHBondContact O-N 3.31Å; I112-I126 WeakPolarHBondContact CA-O 3.49Å; I112-I126 HydrophobicContact CB-CB 4.5Å; I112-I126 HydrophobicContact CG1-CB 4.1Å; I112-I126 HydrophobicContact CG1-CG1 4.37Å; I112-I126 HydrophobicContact CG2-CB 4.42Å; I112-I126 HydrophobicContact CG2-CG2 4.46Å; T113-I126 PolarHBondContact N-O 3.27Å; I126-L348 HydrophobicContact CD1-CB 4.1Å; I126-L348 HydrophobicContact CG1-CB 4.06Å; I126-L348 HydrophobicContact CG1-CD1 4.14Å; I126-K349 HydrophobicContact CD1-CG 3.81Å; I126-F362 HydrophobicContact CG2-CD1 4Å; I126-F362 HydrophobicContact CG2-CD2 4.46Å; I126-F362 HydrophobicContact CG2-CE1 3.55Å; I126-F362 HydrophobicContact CG2-CE2 4.06Å; I126-F362 HydrophobicContact CG2-CG 4.44Å; I126-F362 HydrophobicContact CG2-CZ 3.58Å |
| 127 | Q | 95.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 110.3 | -171.3 | -56.7 | 173.2 | 45.3 | 0 | 0 | 108.6 | T113 T118 V125 R129 G366 R368 | T113-Q127 HydrophobicContact CG2-CG 4.41Å; T118-Q127 PolarHBondContact OG1-NE2 3.39Å; V125-Q127 HydrophobicContact CG1-CG 3.85Å; Q127-R129 VanDerWaalsContact C-N 3.34Å; Q127-G366 PolarHBondContact N-O 3.19Å; Q127-R368 WeakPolarHBondContact O-CG 3.22Å |
| 128 | M | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -74.9 | -27.3 | -178.3 | -61.2 | -61.9 | -61.7 | 0 | 0 | 112.2 | I112 T113 P130 L299 D302 A303 V306 I360 F362 R368 | I112-M128 HydrophobicContact CG2-CG 4.05Å; I112-M128 HydrophobicContact CG2-SD 4.16Å; T113-M128 WeakPolarHBondContact O-CB 3.26Å; T113-M128 PolarHBondContact O-N 2.88Å; M128-P130 WeakPolarHBondContact O-CD 3.3Å; M128-L299 HydrophobicContact CB-CB 4.17Å; M128-L299 HydrophobicContact CB-CD2 4.25Å; M128-L299 WeakPolarHBondContact O-CD2 3.49Å; M128-D302 HydrophobicContact CE-CB 3.75Å; M128-A303 HydrophobicContact CE-CB 4.24Å; M128-A303 HydrophobicContact CG-CB 3.97Å; M128-A303 HydrophobicContact SD-CB 4.19Å; M128-V306 HydrophobicContact CE-CG2 4.04Å; M128-V306 HydrophobicContact SD-CG2 4.42Å; M128-I360 HydrophobicContact CE-CD1 4.05Å; M128-I360 HydrophobicContact CE-CG2 4.46Å; M128-F362 HydrophobicContact SD-CE1 4.29Å; M128-F362 HydrophobicContact SD-CZ 3.82Å; M128-R368 VanDerWaalsContact O-CG 3.31Å; M128-R368 WeakPolarHBondContact O-CG 3.45Å | ||
| 129 | R | 95.5 | Very high | 93.5 | Very high | 17 Ų | 17 | 25.5 Ų | 25.5 | 6% | 0.064 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -77 | 123.1 | -179.3 | -163.9 | 180 | -54 | -164.5 | -17.3 | 110.6 | P114 S115 Q127 L240 Y295 L299 | P114-R129 VanDerWaalsContact O-CZ 3.32Å; P114-R129 PolarHBondContact O-NE 2.98Å; P114-R129 PolarHBondContact O-NH2 3.42Å; S115-R129 VanDerWaalsContact C-CZ 3.48Å; S115-R129 VanDerWaalsContact C-NE 3.35Å; S115-R129 WeakPolarHBondContact O-CB 3.22Å; S115-R129 PolarHBondContact O-NE 3.38Å; S115-R129 VanDerWaalsContact O-NE 3.09Å; Q127-R129 VanDerWaalsContact C-N 3.34Å; R129-L240 HydrophobicContact CG-CD1 3.52Å; R129-Y295 PolarHBondContact NH1-OH 2.9Å; R129-Y295 PolarHBondContact NH2-OH 3.18Å; R129-L299 HydrophobicContact CB-CD1 3.98Å; R129-L299 HydrophobicContact CG-CD1 4.17Å |
| 130 | P | 94.1 | Very high | 94 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.013 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 160.9 | 171.3 | -18.3 | 31.7 | 0 | 0 | 0 | 113.5 | M128 I262 R368 Y371 | M128-P130 WeakPolarHBondContact O-CD 3.3Å; P130-I262 HydrophobicContact CG-CD1 4.14Å; P130-R368 HydrophobicContact CB-CB 4.24Å; P130-R368 HydrophobicContact CG-CB 4.3Å; P130-R368 HydrophobicContact CG-CG 4.22Å; P130-Y371 HydrophobicContact CB-CD1 3.88Å; P130-Y371 HydrophobicContact CB-CD2 3.36Å; P130-Y371 HydrophobicContact CB-CE1 3.99Å; P130-Y371 HydrophobicContact CB-CE2 3.43Å; P130-Y371 VanDerWaalsContact CB-CE2 3.43Å; P130-Y371 HydrophobicContact CB-CG 3.59Å; P130-Y371 HydrophobicContact CG-CD2 3.97Å; P130-Y371 HydrophobicContact CG-CE2 4.5Å; P130-Y371 HydrophobicContact CG-CG 3.97Å |
| 131 | D | 92.8 | Very high | 94.4 | Very high | 57 Ų | 57 | 24.4 Ų | 24.4 | 31% | 0.305 | 14% | 0.136 | S | C | . | . | P | Polyproline II helix | trans | -75.3 | 130.1 | 174.7 | -168.1 | 1.2 | 0 | 0 | 0 | 110.5 | K133 Y371 | D131-K133 VanDerWaalsContact CG-CE 3.43Å; D131-K133 WeakPolarHBondContact OD1-CB 3.36Å; D131-K133 WeakPolarHBondContact OD1-CE 3.4Å; D131-K133 VanDerWaalsContact OD1-CG 3.27Å; D131-K133 WeakPolarHBondContact OD1-CG 3.41Å; D131-K133 PolarHBondContact OD1-N 3.28Å; D131-K133 VanDerWaalsContact OD1-N 3.1Å; D131-K133 WeakPolarHBondContact OD2-CE 3.5Å; D131-K133 IonicContact OD2-NZ 2.62Å; D131-Y371 PolarHBondContact O-OH 3.48Å; D131-Y371 VanDerWaalsContact O-OH 3.1Å |
| 132 | L | 94.1 | Very high | 94.5 | Very high | 8 Ų | 8 | 25.4 Ų | 25.4 | 4% | 0.042 | 13% | 0.13 | C | C | . | . | trans | -92.1 | -17.1 | -178.8 | -172.8 | 58.7 | 0 | 0 | 0 | 112.7 | G134 A135 L136 A238 L240 F260 I373 | L132-G134 PolarHBondContact O-N 3.12Å; L132-A135 HydrophobicContact CD1-CB 4.3Å; L132-A135 PolarHBondContact O-N 3.3Å; L132-L136 WeakPolarHBondContact O-CB 3.39Å; L132-L136 PolarHBondContact O-N 3.37Å; L132-A238 VanDerWaalsContact CD2-C 3.4Å; L132-A238 HydrophobicContact CD2-CB 4.28Å; L132-A238 WeakPolarHBondContact CD2-O 3.29Å; L132-L240 HydrophobicContact CD1-CD2 3.91Å; L132-F260 HydrophobicContact CD1-CB 4.09Å; L132-F260 HydrophobicContact CD1-CD1 4.24Å; L132-F260 HydrophobicContact CD1-CD2 3.75Å; L132-F260 HydrophobicContact CD1-CE2 4.23Å; L132-F260 HydrophobicContact CD1-CG 3.75Å; L132-F260 HydrophobicContact CD2-CD2 4.41Å; L132-I373 HydrophobicContact CD1-CD1 4.27Å | ||
| 133 | K | 93.5 | Very high | 94.4 | Very high | 55 Ų | 55 | 25.3 Ų | 25.3 | 24% | 0.239 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.6 | -48.3 | -170.4 | -67.8 | -179 | -60.3 | 175.8 | 0 | 112.7 | D131 A135 L136 L137 S159 T160 A163 | D131-K133 VanDerWaalsContact CG-CE 3.43Å; D131-K133 WeakPolarHBondContact OD1-CB 3.36Å; D131-K133 WeakPolarHBondContact OD1-CE 3.4Å; D131-K133 VanDerWaalsContact OD1-CG 3.27Å; D131-K133 WeakPolarHBondContact OD1-CG 3.41Å; D131-K133 PolarHBondContact OD1-N 3.28Å; D131-K133 VanDerWaalsContact OD1-N 3.1Å; D131-K133 WeakPolarHBondContact OD2-CE 3.5Å; D131-K133 IonicContact OD2-NZ 2.62Å; K133-A135 PolarHBondContact O-N 3.44Å; K133-L136 PolarHBondContact O-N 3.12Å; K133-L137 WeakPolarHBondContact O-CG 3.39Å; K133-L137 PolarHBondContact O-N 2.73Å; K133-S159 WeakPolarHBondContact CD-O 3.27Å; K133-T160 HydrophobicContact CG-CG2 3.93Å; K133-A163 HydrophobicContact CB-CB 4.32Å; K133-A163 HydrophobicContact CD-CB 3.77Å; K133-A163 HydrophobicContact CG-CB 4.19Å |
| 134 | G | 92.7 | Very high | 94.3 | Very high | 24 Ų | 24 | 30.1 Ų | 30.1 | 25% | 0.247 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.9 | -42.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | L132 S138 W389 | L132-G134 PolarHBondContact O-N 3.12Å; G134-S138 WeakPolarHBondContact O-CB 3.47Å; G134-S138 PolarHBondContact O-N 2.85Å; G134-S138 VanDerWaalsContact O-N 3.08Å; G134-S138 PolarHBondContact O-OG 2.87Å; G134-W389 VanDerWaalsContact C-CE2 3.47Å; G134-W389 PolarHBondContact O-NE1 3.25Å |
| 135 | A | 94.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.3 | -41.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | L132 K133 S138 L139 F260 I373 W389 | L132-A135 HydrophobicContact CD1-CB 4.3Å; L132-A135 PolarHBondContact O-N 3.3Å; K133-A135 PolarHBondContact O-N 3.44Å; A135-S138 PolarHBondContact O-N 2.93Å; A135-L139 WeakPolarHBondContact O-CB 3.28Å; A135-L139 PolarHBondContact O-N 3.18Å; A135-F260 HydrophobicContact CB-CD1 4.21Å; A135-F260 HydrophobicContact CB-CE1 4.03Å; A135-I373 HydrophobicContact CB-CD1 4Å; A135-W389 HydrophobicContact CB-CB 4.1Å; A135-W389 HydrophobicContact CB-CD2 3.68Å; A135-W389 HydrophobicContact CB-CE3 3.91Å; A135-W389 HydrophobicContact CB-CG 3.75Å |
| 136 | L | 95.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.2 | -48.4 | 177.9 | -179.1 | 62.3 | 0 | 0 | 0 | 112.2 | L132 K133 S138 L139 I140 Y150 V164 I208 I236 A238 F260 | L132-L136 WeakPolarHBondContact O-CB 3.39Å; L132-L136 PolarHBondContact O-N 3.37Å; K133-L136 PolarHBondContact O-N 3.12Å; L136-S138 VanDerWaalsContact C-N 3.33Å; L136-S138 PolarHBondContact O-N 3.29Å; L136-L139 PolarHBondContact O-N 3.34Å; L136-I140 HydrophobicContact CD1-CD1 4.47Å; L136-I140 HydrophobicContact CG-CD1 4.24Å; L136-I140 WeakPolarHBondContact O-CG1 3.3Å; L136-I140 PolarHBondContact O-N 3.14Å; L136-Y150 HydrophobicContact CD2-CE2 4.23Å; L136-V164 HydrophobicContact CD2-CG2 4.1Å; L136-I208 HydrophobicContact CD1-CG2 4.29Å; L136-I236 HydrophobicContact CD1-CG2 3.98Å; L136-A238 HydrophobicContact CD1-CB 4.31Å; L136-A238 HydrophobicContact CD2-CB 4.24Å; L136-F260 HydrophobicContact CB-CZ 4.28Å; L136-F260 HydrophobicContact CD1-CE2 3.98Å; L136-F260 HydrophobicContact CD1-CZ 3.99Å |
| 137 | L | 95.1 | Very high | 93.7 | Very high | 32 Ų | 32 | 37.5 Ų | 37.5 | 17% | 0.168 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.9 | -42 | 178.3 | -67.9 | 174.1 | 0 | 0 | 0 | 111.7 | K133 L139 I140 E141 V164 S167 W173 | K133-L137 WeakPolarHBondContact O-CG 3.39Å; K133-L137 PolarHBondContact O-N 2.73Å; L137-L139 VanDerWaalsContact C-N 3.29Å; L137-L139 PolarHBondContact O-N 2.79Å; L137-I140 PolarHBondContact O-N 3.34Å; L137-E141 WeakPolarHBondContact O-CG 3.04Å; L137-E141 PolarHBondContact O-N 3Å; L137-V164 HydrophobicContact CD2-CG2 4.18Å; L137-S167 WeakPolarHBondContact CD1-OG 3.3Å; L137-S167 WeakPolarHBondContact CD2-OG 3.47Å; L137-W173 HydrophobicContact CD2-CH2 4.24Å; L137-W173 HydrophobicContact CD2-CZ3 3.95Å |
| 138 | S | 94.8 | Very high | 93.7 | Very high | 18 Ų | 18 | 37.5 Ų | 37.5 | 13% | 0.126 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64 | -35.4 | 177.2 | -55.5 | 0 | 0 | 0 | 0 | 112 | G134 A135 L136 E141 Y142 W389 | G134-S138 WeakPolarHBondContact O-CB 3.47Å; G134-S138 PolarHBondContact O-N 2.85Å; G134-S138 VanDerWaalsContact O-N 3.08Å; G134-S138 PolarHBondContact O-OG 2.87Å; A135-S138 PolarHBondContact O-N 2.93Å; L136-S138 VanDerWaalsContact C-N 3.33Å; L136-S138 PolarHBondContact O-N 3.29Å; S138-E141 PolarHBondContact O-N 3.46Å; S138-Y142 WeakPolarHBondContact O-CB 3.13Å; S138-Y142 PolarHBondContact O-N 3.34Å; S138-W389 PolarHBondContact OG-NE1 2.8Å |
| 139 | L | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.9 | -39.4 | 176.2 | -172.1 | 62.7 | 0 | 0 | 0 | 112.3 | A135 L136 L137 E141 Y142 Y143 I236 F260 I375 M395 | A135-L139 WeakPolarHBondContact O-CB 3.28Å; A135-L139 PolarHBondContact O-N 3.18Å; L136-L139 PolarHBondContact O-N 3.34Å; L137-L139 VanDerWaalsContact C-N 3.29Å; L137-L139 PolarHBondContact O-N 2.79Å; L139-E141 VanDerWaalsContact C-N 3.33Å; L139-Y142 HydrophobicContact CD1-CD1 4.3Å; L139-Y142 PolarHBondContact O-N 3.43Å; L139-Y143 HydrophobicContact CD1-CD2 3.9Å; L139-Y143 HydrophobicContact CD1-CE2 3.43Å; L139-Y143 VanDerWaalsContact CD1-CE2 3.43Å; L139-Y143 HydrophobicContact CD2-CE2 4.18Å; L139-Y143 HydrophobicContact CG-CD2 3.89Å; L139-Y143 HydrophobicContact CG-CE2 3.69Å; L139-Y143 VanDerWaalsContact O-CD2 3.3Å; L139-Y143 WeakPolarHBondContact O-CD2 3.27Å; L139-Y143 PolarHBondContact O-N 3.35Å; L139-I236 HydrophobicContact CD2-CD1 4.14Å; L139-I236 HydrophobicContact CD2-CG1 4.43Å; L139-I236 HydrophobicContact CD2-CG2 3.97Å; L139-I236 HydrophobicContact CG-CD1 4.37Å; L139-F260 HydrophobicContact CB-CE1 4.12Å; L139-F260 HydrophobicContact CB-CZ 4.01Å; L139-F260 HydrophobicContact CD2-CE1 3.72Å; L139-F260 HydrophobicContact CD2-CE2 4.2Å; L139-F260 HydrophobicContact CD2-CZ 3.38Å; L139-F260 HydrophobicContact CG-CE1 4.49Å; L139-F260 HydrophobicContact CG-CZ 4.32Å; L139-I375 HydrophobicContact CD1-CG2 3.74Å; L139-I375 HydrophobicContact CD2-CG2 4.4Å; L139-M395 HydrophobicContact CD1-CE 3.77Å; L139-M395 HydrophobicContact CD1-SD 4.02Å |
| 140 | I | 95.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 175 | -65.3 | 168.1 | 0 | 0 | 0 | 110.2 | L136 L137 Q144 W145 F148 W173 I208 | L136-I140 HydrophobicContact CD1-CD1 4.47Å; L136-I140 HydrophobicContact CG-CD1 4.24Å; L136-I140 WeakPolarHBondContact O-CG1 3.3Å; L136-I140 PolarHBondContact O-N 3.14Å; L137-I140 PolarHBondContact O-N 3.34Å; I140-Q144 PolarHBondContact O-N 3.08Å; I140-Q144 VanDerWaalsContact O-N 3.14Å; I140-W145 HydrophobicContact CG2-CB 4.06Å; I140-W145 PolarHBondContact O-N 3.33Å; I140-F148 HydrophobicContact CD1-CE2 4.47Å; I140-F148 HydrophobicContact CD1-CZ 4.09Å; I140-F148 HydrophobicContact CG2-CE1 3.93Å; I140-F148 HydrophobicContact CG2-CZ 4.27Å; I140-W173 HydrophobicContact CB-CH2 4.25Å; I140-W173 HydrophobicContact CG2-CD2 4.45Å; I140-W173 HydrophobicContact CG2-CE3 4.4Å; I140-W173 HydrophobicContact CG2-CH2 3.71Å; I140-W173 HydrophobicContact CG2-CZ2 3.74Å; I140-W173 HydrophobicContact CG2-CZ3 4.05Å; I140-I208 HydrophobicContact CD1-CD1 3.66Å; I140-I208 HydrophobicContact CG1-CD1 4Å |
| 141 | E | 93 | Very high | 93.8 | Very high | 82 Ų | 82 | 36.6 Ų | 36.6 | 38% | 0.383 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.6 | -41.9 | 175.3 | -71.6 | -169.7 | 153.1 | 0 | 0 | 112.3 | L137 S138 L139 Y143 Q144 K171 W173 | L137-E141 WeakPolarHBondContact O-CG 3.04Å; L137-E141 PolarHBondContact O-N 3Å; S138-E141 PolarHBondContact O-N 3.46Å; L139-E141 VanDerWaalsContact C-N 3.33Å; E141-Y143 VanDerWaalsContact C-N 3.34Å; E141-Y143 PolarHBondContact O-N 3.13Å; E141-Q144 PolarHBondContact O-N 3.44Å; E141-K171 VanDerWaalsContact OE1-CE 3.31Å; E141-K171 WeakPolarHBondContact OE1-CE 3.36Å; E141-K171 IonicContact OE1-NZ 2.8Å; E141-K171 PolarHBondContact OE1-NZ 3.15Å; E141-W173 HydrophobicContact CG-CH2 4.41Å; E141-W173 HydrophobicContact CG-CZ2 4.09Å |
| 142 | Y | 92.1 | Very high | 93.9 | Very high | 109 Ų | 109 | 35.9 Ų | 35.9 | 43% | 0.427 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.6 | -44.4 | 176.5 | 173.1 | -103.2 | 0 | 0 | 0 | 112.1 | S138 L139 Q144 I386 M395 V397 | S138-Y142 WeakPolarHBondContact O-CB 3.13Å; S138-Y142 PolarHBondContact O-N 3.34Å; L139-Y142 HydrophobicContact CD1-CD1 4.3Å; L139-Y142 PolarHBondContact O-N 3.43Å; Y142-Q144 PolarHBondContact O-N 3.04Å; Y142-I386 HydrophobicContact CE1-CD1 4.39Å; Y142-M395 HydrophobicContact CD1-CE 3.66Å; Y142-M395 HydrophobicContact CD1-SD 4.29Å; Y142-M395 HydrophobicContact CD2-CE 4.11Å; Y142-M395 HydrophobicContact CD2-SD 4.31Å; Y142-M395 HydrophobicContact CE1-CE 4.06Å; Y142-M395 HydrophobicContact CE2-CE 4.49Å; Y142-M395 HydrophobicContact CG-CE 3.69Å; Y142-M395 HydrophobicContact CG-SD 3.81Å; Y142-V397 HydrophobicContact CD2-CG2 4.26Å; Y142-V397 HydrophobicContact CE2-CG2 3.58Å |
| 143 | Y | 91.5 | Very high | 93.8 | Very high | 48 Ų | 48 | 35.6 Ų | 35.6 | 19% | 0.188 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -3.6 | 175.7 | -71.4 | -56.8 | 0 | 0 | 0 | 114.4 | L139 E141 W145 H234 I236 S258 | L139-Y143 HydrophobicContact CD1-CD2 3.9Å; L139-Y143 HydrophobicContact CD1-CE2 3.43Å; L139-Y143 VanDerWaalsContact CD1-CE2 3.43Å; L139-Y143 HydrophobicContact CD2-CE2 4.18Å; L139-Y143 HydrophobicContact CG-CD2 3.89Å; L139-Y143 HydrophobicContact CG-CE2 3.69Å; L139-Y143 VanDerWaalsContact O-CD2 3.3Å; L139-Y143 WeakPolarHBondContact O-CD2 3.27Å; L139-Y143 PolarHBondContact O-N 3.35Å; E141-Y143 VanDerWaalsContact C-N 3.34Å; E141-Y143 PolarHBondContact O-N 3.13Å; Y143-W145 VanDerWaalsContact C-N 3.27Å; Y143-W145 VanDerWaalsContact CB-CD1 3.46Å; Y143-W145 PolarHBondContact O-N 2.95Å; Y143-H234 AromaticContact CD1-CE1 3.78Å; Y143-H234 AromaticContact CD2-CE1 3.95Å; Y143-H234 AromaticContact CE1-CE1 3.63Å; Y143-H234 AromaticContact CE2-CE1 3.77Å; Y143-H234 AromaticContact CE2-NE2 3.88Å; Y143-H234 AromaticContact CG-CE1 3.95Å; Y143-H234 AromaticContact CZ-CE1 3.63Å; Y143-H234 AromaticContact CZ-NE2 3.85Å; Y143-I236 HydrophobicContact CD2-CD1 4.17Å; Y143-I236 HydrophobicContact CE2-CD1 4.41Å; Y143-S258 PolarHBondContact OH-OG 3.45Å |
| 144 | Q | 90.6 | Very high | 93.6 | Very high | 167 Ų | 167 | 34.8 Ų | 34.8 | 78% | 0.78 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 42.5 | -178.7 | -58.2 | -177.7 | -19 | 0 | 0 | 113 | I140 E141 Y142 | I140-Q144 PolarHBondContact O-N 3.08Å; I140-Q144 VanDerWaalsContact O-N 3.14Å; E141-Q144 PolarHBondContact O-N 3.44Å; Y142-Q144 PolarHBondContact O-N 3.04Å |
| 145 | W | 93.2 | Very high | 93.1 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 3% | 0.03 | 18% | 0.175 | C | C | . | . | trans | -75.1 | 133.7 | 178 | -74.4 | 11.5 | 0 | 0 | 0 | 111.4 | I140 Y143 F148 W173 R206 I208 H234 I236 | I140-W145 HydrophobicContact CG2-CB 4.06Å; I140-W145 PolarHBondContact O-N 3.33Å; Y143-W145 VanDerWaalsContact C-N 3.27Å; Y143-W145 VanDerWaalsContact CB-CD1 3.46Å; Y143-W145 PolarHBondContact O-N 2.95Å; W145-F148 HydrophobicContact CB-CD1 4.05Å; W145-F148 HydrophobicContact CB-CE1 4.48Å; W145-F148 HydrophobicContact CE3-CB 3.71Å; W145-F148 AromaticContact CE3-CD1 3.95Å; W145-F148 HydrophobicContact CE3-CD1 3.95Å; W145-F148 AromaticContact CE3-CG 3.85Å; W145-F148 HydrophobicContact CE3-CG 3.85Å; W145-F148 HydrophobicContact CZ3-CB 3.99Å; W145-F148 HydrophobicContact CZ3-CG 4.35Å; W145-W173 PolarHBondContact O-NE1 3.08Å; W145-R206 HydrophobicContact CD2-CB 4.05Å; W145-R206 HydrophobicContact CD2-CG 4Å; W145-R206 HydrophobicContact CE3-CB 3.89Å; W145-R206 HydrophobicContact CE3-CG 4.37Å; W145-R206 HydrophobicContact CH2-CB 3.75Å; W145-R206 HydrophobicContact CH2-CG 4.18Å; W145-R206 HydrophobicContact CZ2-CB 3.93Å; W145-R206 HydrophobicContact CZ2-CG 3.82Å; W145-R206 HydrophobicContact CZ3-CB 3.73Å; W145-R206 HydrophobicContact CZ3-CG 4.44Å; W145-I208 HydrophobicContact CE3-CD1 4.49Å; W145-I208 HydrophobicContact CZ3-CD1 4.14Å; W145-I208 HydrophobicContact CZ3-CG1 3.73Å; W145-H234 HydrophobicContact CZ2-CB 3.88Å; W145-H234 AromaticContact CZ2-CD2 3.92Å; W145-H234 AromaticContact CZ2-CE1 3.83Å; W145-H234 AromaticContact CZ2-CG 3.52Å; W145-H234 AromaticContact CZ2-ND1 3.49Å; W145-H234 WeakPolarHBondContact CZ2-ND1 3.37Å; W145-H234 AromaticContact NE1-ND1 3.91Å; W145-I236 HydrophobicContact CE3-CD1 4.2Å; W145-I236 HydrophobicContact CH2-CD1 3.43Å; W145-I236 VanDerWaalsContact CH2-CD1 3.43Å; W145-I236 HydrophobicContact CH2-CG1 3.63Å; W145-I236 HydrophobicContact CZ2-CD1 3.85Å; W145-I236 HydrophobicContact CZ2-CG1 4.17Å; W145-I236 HydrophobicContact CZ3-CD1 3.62Å; W145-I236 HydrophobicContact CZ3-CG1 4.19Å | ||
| 146 | D | 90.3 | Very high | 92.5 | Very high | 99 Ų | 99 | 37.7 Ų | 37.7 | 53% | 0.529 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -111.3 | -30.9 | 177.6 | 60.7 | -21.8 | 0 | 0 | 0 | 112.9 | W173 Q174 R206 | D146-W173 CarbonylContact O-C 3.59Å; D146-W173 VanDerWaalsContact O-CA 3.32Å; D146-W173 WeakPolarHBondContact O-CA 3.31Å; D146-Q174 PolarHBondContact O-N 3.06Å; D146-R206 IonicContact OD1-CZ 3.87Å; D146-R206 IonicContact OD1-NH1 3.57Å; D146-R206 PolarHBondContact OD1-NH1 3.48Å |
| 147 | K | 92 | Very high | 91.9 | Very high | 58 Ų | 58 | 37.8 Ų | 37.8 | 25% | 0.252 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 129.5 | 179.3 | 179.4 | -178.1 | 168.3 | -165.3 | 0 | 110.7 | Q174 K202 E204 R206 | K147-Q174 WeakPolarHBondContact CA-O 3.35Å; K147-Q174 HydrophobicContact CB-CB 4.17Å; K147-Q174 HydrophobicContact CG-CB 4.03Å; K147-K202 PolarHBondContact NZ-O 3.26Å; K147-E204 VanDerWaalsContact CE-CD 3.5Å; K147-E204 WeakPolarHBondContact CE-OE1 3.48Å; K147-E204 WeakPolarHBondContact CE-OE2 3.37Å; K147-E204 IonicContact NZ-OE1 2.9Å; K147-R206 VanDerWaalsContact O-CD 3.3Å; K147-R206 WeakPolarHBondContact O-CD 3.43Å; K147-R206 PolarHBondContact O-NH1 2.72Å |
| 148 | F | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 161.8 | 179.4 | 54.9 | -90 | 0 | 0 | 0 | 112.7 | I140 W145 V164 W173 Q174 V175 T176 R206 I208 | I140-F148 HydrophobicContact CD1-CE2 4.47Å; I140-F148 HydrophobicContact CD1-CZ 4.09Å; I140-F148 HydrophobicContact CG2-CE1 3.93Å; I140-F148 HydrophobicContact CG2-CZ 4.27Å; W145-F148 HydrophobicContact CB-CD1 4.05Å; W145-F148 HydrophobicContact CB-CE1 4.48Å; W145-F148 HydrophobicContact CE3-CB 3.71Å; W145-F148 AromaticContact CE3-CD1 3.95Å; W145-F148 HydrophobicContact CE3-CD1 3.95Å; W145-F148 AromaticContact CE3-CG 3.85Å; W145-F148 HydrophobicContact CE3-CG 3.85Å; W145-F148 HydrophobicContact CZ3-CB 3.99Å; W145-F148 HydrophobicContact CZ3-CG 4.35Å; F148-V164 HydrophobicContact CE2-CG1 4.11Å; F148-V164 HydrophobicContact CZ-CG1 4.17Å; F148-W173 HydrophobicContact CE1-CB 4.24Å; F148-W173 HydrophobicContact CE1-CD2 4.26Å; F148-W173 HydrophobicContact CE1-CE3 4.27Å; F148-W173 HydrophobicContact CE1-CG 4.29Å; F148-W173 HydrophobicContact CZ-CE3 4.1Å; F148-Q174 PolarHBondContact N-O 3.39Å; F148-Q174 VanDerWaalsContact N-O 3.15Å; F148-V175 HydrophobicContact CD2-CG1 4.36Å; F148-V175 HydrophobicContact CD2-CG2 4.49Å; F148-V175 HydrophobicContact CE1-CG2 4.18Å; F148-V175 HydrophobicContact CE2-CB 4.41Å; F148-V175 HydrophobicContact CE2-CG1 3.92Å; F148-V175 HydrophobicContact CE2-CG2 3.75Å; F148-V175 HydrophobicContact CZ-CG2 3.57Å; F148-V175 WeakPolarHBondContact O-CA 3.33Å; F148-T176 PolarHBondContact O-N 3.38Å; F148-R206 WeakPolarHBondContact CA-O 3.01Å; F148-R206 HydrophobicContact CB-CB 3.73Å; F148-I208 HydrophobicContact CD2-CD1 3.66Å; F148-I208 HydrophobicContact CD2-CG1 4.06Å; F148-I208 HydrophobicContact CE2-CD1 3.62Å; F148-I208 HydrophobicContact CE2-CG1 4.48Å; F148-I208 HydrophobicContact CG-CD1 4.46Å; F148-I208 HydrophobicContact CZ-CD1 4.38Å |
| 149 | A | 96.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 142 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | T176 L199 R206 V207 I208 | A149-T176 CarbonylContact C-O 3.56Å; A149-T176 WeakPolarHBondContact CA-O 3.41Å; A149-L199 HydrophobicContact CB-CD1 4.46Å; A149-L199 HydrophobicContact CB-CD2 3.68Å; A149-R206 PolarHBondContact N-O 2.91Å; A149-V207 HydrophobicContact CB-CG2 4.42Å; A149-V207 CarbonylContact O-C 3.52Å; A149-V207 WeakPolarHBondContact O-CA 3.48Å; A149-I208 PolarHBondContact O-N 3.06Å |
| 150 | Y | 96.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 102.5 | 179.5 | -166.2 | -88.1 | 0 | 0 | 0 | 109.4 | L136 Y152 L161 V164 T176 A177 I178 I208 D210 | L136-Y150 HydrophobicContact CD2-CE2 4.23Å; Y150-Y152 HydrophobicContact CD1-CD1 4.02Å; Y150-Y152 HydrophobicContact CD1-CG 4.3Å; Y150-Y152 HydrophobicContact CE1-CD1 4.45Å; Y150-Y152 HydrophobicContact CE1-CG 4.29Å; Y150-L161 HydrophobicContact CD1-CD1 3.62Å; Y150-L161 HydrophobicContact CE1-CB 4.1Å; Y150-L161 HydrophobicContact CE1-CD1 3.81Å; Y150-L161 HydrophobicContact CG-CD1 4.37Å; Y150-V164 HydrophobicContact CD2-CG1 4.38Å; Y150-V164 HydrophobicContact CE2-CG2 3.98Å; Y150-T176 PolarHBondContact N-O 3.08Å; Y150-A177 CarbonylContact O-C 3.58Å; Y150-A177 WeakPolarHBondContact O-CA 3.28Å; Y150-I178 PolarHBondContact O-N 2.87Å; Y150-I208 HydrophobicContact CD2-CB 3.78Å; Y150-I208 HydrophobicContact CD2-CD1 4.14Å; Y150-I208 HydrophobicContact CD2-CG1 4.44Å; Y150-I208 HydrophobicContact CD2-CG2 3.82Å; Y150-I208 HydrophobicContact CE2-CB 4.21Å; Y150-I208 HydrophobicContact CE2-CG2 3.7Å; Y150-D210 HydrophobicContact CE1-CB 3.93Å; Y150-D210 WeakPolarHBondContact OH-CB 3.36Å; Y150-D210 PolarHBondContact OH-OD2 2.85Å |
| 151 | L | 95.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 121 | 176.2 | -56.4 | -173.5 | 0 | 0 | 0 | 108.4 | I178 V180 L195 V207 I208 L209 D210 | L151-I178 WeakPolarHBondContact CA-O 3.42Å; L151-I178 HydrophobicContact CD2-CB 3.83Å; L151-I178 HydrophobicContact CD2-CD1 4.26Å; L151-I178 HydrophobicContact CD2-CG1 4.38Å; L151-V180 HydrophobicContact CB-CG1 4.12Å; L151-V180 HydrophobicContact CD2-CG1 4.2Å; L151-L195 HydrophobicContact CD1-CD2 4.18Å; L151-L195 HydrophobicContact CD2-CD1 4.32Å; L151-L195 HydrophobicContact CD2-CD2 4.15Å; L151-V207 HydrophobicContact CD1-CG1 3.9Å; L151-V207 HydrophobicContact CG-CG1 3.96Å; L151-I208 PolarHBondContact N-O 3.17Å; L151-L209 HydrophobicContact CB-CD2 3.99Å; L151-L209 HydrophobicContact CD1-CD2 3.7Å; L151-L209 HydrophobicContact CG-CD2 4.2Å; L151-D210 PolarHBondContact O-N 3Å |
| 152 | Y | 94.6 | Very high | 91.4 | Very high | 42 Ų | 42 | 43.4 Ų | 43.4 | 17% | 0.165 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 153 | -173.4 | 71.8 | -85.9 | 0 | 0 | 0 | 113.1 | Y150 L158 L161 A177 I178 N179 V180 D210 | Y150-Y152 HydrophobicContact CD1-CD1 4.02Å; Y150-Y152 HydrophobicContact CD1-CG 4.3Å; Y150-Y152 HydrophobicContact CE1-CD1 4.45Å; Y150-Y152 HydrophobicContact CE1-CG 4.29Å; Y152-L158 HydrophobicContact CD2-CD2 3.83Å; Y152-L158 HydrophobicContact CE2-CD2 3.46Å; Y152-L158 VanDerWaalsContact CE2-CD2 3.46Å; Y152-L161 HydrophobicContact CD1-CD1 4.43Å; Y152-L161 HydrophobicContact CD1-CD2 4.04Å; Y152-L161 HydrophobicContact CD2-CD2 4.13Å; Y152-L161 HydrophobicContact CE1-CD2 3.73Å; Y152-L161 HydrophobicContact CE2-CD2 3.85Å; Y152-L161 HydrophobicContact CG-CD2 4.22Å; Y152-A177 HydrophobicContact CE1-CB 4.2Å; Y152-I178 VanDerWaalsContact CD1-O 3.28Å; Y152-I178 WeakPolarHBondContact CD1-O 3.47Å; Y152-I178 VanDerWaalsContact CE1-C 3.47Å; Y152-I178 PolarHBondContact N-O 3.3Å; Y152-I178 VanDerWaalsContact N-O 3.09Å; Y152-N179 HydrophobicContact CE1-CB 4.15Å; Y152-N179 HydrophobicContact CE2-CB 3.99Å; Y152-N179 WeakPolarHBondContact O-CA 3.5Å; Y152-N179 PolarHBondContact O-OD1 3.41Å; Y152-V180 WeakPolarHBondContact O-CG2 3.48Å; Y152-V180 PolarHBondContact O-N 3.41Å; Y152-D210 WeakPolarHBondContact CA-O 3.45Å |
| 153 | D | 91.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.011 | 20% | 0.198 | C | C | . | . | trans | -106.8 | 141.4 | 170.7 | -157 | -24.7 | 0 | 0 | 0 | 111 | D155 G181 D210 C211 | D153-D155 VanDerWaalsContact C-N 3.28Å; D153-D155 PolarHBondContact O-N 3.34Å; D153-D155 PolarHBondContact OD1-N 2.7Å; D153-G181 VanDerWaalsContact OD1-CA 3.26Å; D153-G181 WeakPolarHBondContact OD1-CA 3.3Å; D153-D210 PolarHBondContact N-O 3.17Å; D153-D210 VanDerWaalsContact N-O 3.09Å; D153-C211 HydrophobicContact CB-CB 4.44Å | ||
| 154 | S | 89 | Confident | 91.7 | Very high | 38 Ų | 38 | 36.9 Ų | 36.9 | 27% | 0.266 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -72.5 | -20.7 | 176.6 | 46.2 | 0 | 0 | 0 | 0 | 113.7 | R156 G157 | S154-R156 VanDerWaalsContact C-N 3.3Å; S154-R156 PolarHBondContact O-N 3Å; S154-G157 PolarHBondContact O-N 3.33Å |
| 155 | D | 83.5 | Confident | 91.9 | Very high | 61 Ų | 61 | 32.7 Ų | 32.7 | 33% | 0.326 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -31.2 | -171.2 | -66.9 | -9.5 | 0 | 0 | 0 | 112.7 | D153 G157 | D153-D155 VanDerWaalsContact C-N 3.28Å; D153-D155 PolarHBondContact O-N 3.34Å; D153-D155 PolarHBondContact OD1-N 2.7Å; D155-G157 VanDerWaalsContact C-N 3.3Å; D155-G157 PolarHBondContact O-N 3.12Å |
| 156 | R | 82.3 | Confident | 91.9 | Very high | 25 Ų | 25 | 37.9 Ų | 37.9 | 9% | 0.094 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -0.8 | 176.1 | -63.5 | -178.6 | 65.2 | -160.4 | 4.4 | 114 | F116 S154 D210 E212 A238 | F116-R156 VanDerWaalsContact CD2-O 3.32Å; F116-R156 WeakPolarHBondContact CD2-O 3.37Å; F116-R156 VanDerWaalsContact CG-O 3.31Å; F116-R156 WeakPolarHBondContact CG-O 3.46Å; S154-R156 VanDerWaalsContact C-N 3.3Å; S154-R156 PolarHBondContact O-N 3Å; R156-D210 IonicContact CZ-OD1 3.57Å; R156-D210 IonicContact NH1-OD1 2.68Å; R156-D210 PolarHBondContact NH1-OD1 2.87Å; R156-E212 HydrophobicContact CG-CG 3.96Å; R156-A238 PolarHBondContact NH1-O 3.28Å |
| 157 | G | 82.3 | Confident | 92.1 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 4% | 0.041 | 18% | 0.183 | C | C | . | . | trans | 84.9 | 172.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S154 D155 | S154-G157 PolarHBondContact O-N 3.33Å; D155-G157 VanDerWaalsContact C-N 3.3Å; D155-G157 PolarHBondContact O-N 3.12Å | ||
| 158 | L | 90.6 | Very high | 92.3 | Very high | 73 Ų | 73 | 31.9 Ų | 31.9 | 38% | 0.382 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -108.6 | 7.7 | -172.3 | -61.5 | 165.5 | 0 | 0 | 0 | 112.9 | Y152 T160 L161 Q162 | Y152-L158 HydrophobicContact CD2-CD2 3.83Å; Y152-L158 HydrophobicContact CE2-CD2 3.46Å; Y152-L158 VanDerWaalsContact CE2-CD2 3.46Å; L158-T160 VanDerWaalsContact C-N 3.33Å; L158-T160 PolarHBondContact O-N 3.42Å; L158-L161 HydrophobicContact CD2-CD2 4.09Å; L158-L161 PolarHBondContact O-N 3.49Å; L158-Q162 WeakPolarHBondContact O-CG 3.48Å; L158-Q162 PolarHBondContact O-N 3.45Å |
| 159 | S | 91.2 | Very high | 92.1 | Very high | 30 Ų | 30 | 35.8 Ų | 35.8 | 21% | 0.21 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.5 | -40.2 | -175.2 | -149.1 | 0 | 0 | 0 | 0 | 112.3 | D119 K133 A163 | D119-S159 WeakPolarHBondContact OD1-CB 3.49Å; D119-S159 PolarHBondContact OD1-OG 3.25Å; K133-S159 WeakPolarHBondContact CD-O 3.27Å; S159-A163 PolarHBondContact O-N 3.47Å |
| 160 | T | 92.3 | Very high | 92.1 | Very high | 22 Ų | 22 | 42.8 Ų | 42.8 | 14% | 0.135 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.1 | -47 | 176.4 | 44.7 | 0 | 0 | 0 | 0 | 111.4 | K133 L158 Q162 A163 V164 D210 | K133-T160 HydrophobicContact CG-CG2 3.93Å; L158-T160 VanDerWaalsContact C-N 3.33Å; L158-T160 PolarHBondContact O-N 3.42Å; T160-Q162 PolarHBondContact O-N 3.42Å; T160-A163 PolarHBondContact O-N 2.92Å; T160-V164 WeakPolarHBondContact O-CG2 3.35Å; T160-V164 PolarHBondContact O-N 2.88Å; T160-V164 VanDerWaalsContact O-N 3.1Å; T160-D210 WeakPolarHBondContact CB-OD2 3.49Å; T160-D210 PolarHBondContact OG1-OD2 2.7Å |
| 161 | L | 93.9 | Very high | 91.9 | Very high | 14 Ų | 14 | 47.4 Ų | 47.4 | 7% | 0.073 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 176.3 | 176.7 | 63.4 | 0 | 0 | 0 | 111.9 | Y150 Y152 L158 A163 V164 L165 A177 | Y150-L161 HydrophobicContact CD1-CD1 3.62Å; Y150-L161 HydrophobicContact CE1-CB 4.1Å; Y150-L161 HydrophobicContact CE1-CD1 3.81Å; Y150-L161 HydrophobicContact CG-CD1 4.37Å; Y152-L161 HydrophobicContact CD1-CD1 4.43Å; Y152-L161 HydrophobicContact CD1-CD2 4.04Å; Y152-L161 HydrophobicContact CD2-CD2 4.13Å; Y152-L161 HydrophobicContact CE1-CD2 3.73Å; Y152-L161 HydrophobicContact CE2-CD2 3.85Å; Y152-L161 HydrophobicContact CG-CD2 4.22Å; L158-L161 HydrophobicContact CD2-CD2 4.09Å; L158-L161 PolarHBondContact O-N 3.49Å; L161-A163 PolarHBondContact O-N 2.82Å; L161-V164 PolarHBondContact O-N 3.19Å; L161-L165 HydrophobicContact CD1-CD1 4.15Å; L161-L165 HydrophobicContact CD1-CG 4.18Å; L161-L165 HydrophobicContact CG-CD1 4.05Å; L161-L165 HydrophobicContact CG-CG 4.47Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 2.84Å; L161-A177 HydrophobicContact CD1-CB 3.93Å |
| 162 | Q | 93.7 | Very high | 91.8 | Very high | 112 Ų | 112 | 56.1 Ų | 56.1 | 52% | 0.523 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.6 | -47.4 | 178 | -74.6 | 175.7 | -10.7 | 0 | 0 | 111.6 | L158 T160 V164 L165 D166 | L158-Q162 WeakPolarHBondContact O-CG 3.48Å; L158-Q162 PolarHBondContact O-N 3.45Å; T160-Q162 PolarHBondContact O-N 3.42Å; Q162-V164 VanDerWaalsContact C-N 3.3Å; Q162-V164 PolarHBondContact O-N 3.17Å; Q162-L165 PolarHBondContact O-N 3.27Å; Q162-L165 VanDerWaalsContact O-N 3.13Å; Q162-D166 VanDerWaalsContact O-CG 3.3Å; Q162-D166 PolarHBondContact O-N 2.85Å |
| 163 | A | 93.9 | Very high | 91.8 | Very high | 19 Ų | 19 | 55.7 Ų | 55.7 | 16% | 0.157 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.2 | -35.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K133 S159 T160 L161 S167 | K133-A163 HydrophobicContact CB-CB 4.32Å; K133-A163 HydrophobicContact CD-CB 3.77Å; K133-A163 HydrophobicContact CG-CB 4.19Å; S159-A163 PolarHBondContact O-N 3.47Å; T160-A163 PolarHBondContact O-N 2.92Å; L161-A163 PolarHBondContact O-N 2.82Å; A163-S167 WeakPolarHBondContact O-CB 3.35Å; A163-S167 PolarHBondContact O-N 2.8Å; A163-S167 VanDerWaalsContact O-N 3.11Å; A163-S167 PolarHBondContact O-OG 3.31Å |
| 164 | V | 95.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.9 | -41.1 | 174 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | L136 L137 F148 Y150 T160 L161 Q162 A168 V175 | L136-V164 HydrophobicContact CD2-CG2 4.1Å; L137-V164 HydrophobicContact CD2-CG2 4.18Å; F148-V164 HydrophobicContact CE2-CG1 4.11Å; F148-V164 HydrophobicContact CZ-CG1 4.17Å; Y150-V164 HydrophobicContact CD2-CG1 4.38Å; Y150-V164 HydrophobicContact CE2-CG2 3.98Å; T160-V164 WeakPolarHBondContact O-CG2 3.35Å; T160-V164 PolarHBondContact O-N 2.88Å; T160-V164 VanDerWaalsContact O-N 3.1Å; L161-V164 PolarHBondContact O-N 3.19Å; Q162-V164 VanDerWaalsContact C-N 3.3Å; Q162-V164 PolarHBondContact O-N 3.17Å; V164-A168 WeakPolarHBondContact O-CB 3.42Å; V164-A168 PolarHBondContact O-N 2.99Å; V164-V175 HydrophobicContact CG1-CG2 4.42Å |
| 165 | L | 95.1 | Very high | 92.2 | Very high | 79 Ų | 79 | 61.5 Ų | 61.5 | 41% | 0.414 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.2 | -40.9 | 178.7 | -69.6 | 174.9 | 0 | 0 | 0 | 112.6 | L161 Q162 A168 A169 | L161-L165 HydrophobicContact CD1-CD1 4.15Å; L161-L165 HydrophobicContact CD1-CG 4.18Å; L161-L165 HydrophobicContact CG-CD1 4.05Å; L161-L165 HydrophobicContact CG-CG 4.47Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 2.84Å; Q162-L165 PolarHBondContact O-N 3.27Å; Q162-L165 VanDerWaalsContact O-N 3.13Å; L165-A168 WeakPolarHBondContact O-CB 3.39Å; L165-A168 PolarHBondContact O-N 2.8Å; L165-A169 PolarHBondContact O-N 2.93Å |
| 166 | D | 94.8 | Very high | 92.7 | Very high | 117 Ų | 117 | 60.2 Ų | 60.2 | 63% | 0.626 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.3 | -47.2 | 175.9 | -67.3 | -21.3 | 0 | 0 | 0 | 110.5 | Q162 A168 A169 E170 | Q162-D166 VanDerWaalsContact O-CG 3.3Å; Q162-D166 PolarHBondContact O-N 2.85Å; D166-A168 VanDerWaalsContact C-N 3.3Å; D166-A168 PolarHBondContact O-N 3.43Å; D166-A169 PolarHBondContact O-N 3.19Å; D166-E170 PolarHBondContact O-N 2.91Å |
| 167 | S | 94.6 | Very high | 93.3 | Very high | 22 Ų | 22 | 61.1 Ų | 61.1 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.6 | -33.9 | 176.1 | -56 | 0 | 0 | 0 | 0 | 112.1 | L137 A163 A169 E170 K171 | L137-S167 WeakPolarHBondContact CD1-OG 3.3Å; L137-S167 WeakPolarHBondContact CD2-OG 3.47Å; A163-S167 WeakPolarHBondContact O-CB 3.35Å; A163-S167 PolarHBondContact O-N 2.8Å; A163-S167 VanDerWaalsContact O-N 3.11Å; A163-S167 PolarHBondContact O-OG 3.31Å; S167-A169 VanDerWaalsContact C-N 3.34Å; S167-A169 PolarHBondContact O-N 3.17Å; S167-E170 PolarHBondContact O-N 2.87Å; S167-K171 WeakPolarHBondContact O-CB 3.4Å; S167-K171 WeakPolarHBondContact O-CG 3.43Å; S167-K171 PolarHBondContact O-N 3.42Å |
| 168 | A | 94.5 | Very high | 93.8 | Very high | 9 Ų | 9 | 63 Ų | 63 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V164 L165 D166 K172 W173 V175 | V164-A168 WeakPolarHBondContact O-CB 3.42Å; V164-A168 PolarHBondContact O-N 2.99Å; L165-A168 WeakPolarHBondContact O-CB 3.39Å; L165-A168 PolarHBondContact O-N 2.8Å; D166-A168 VanDerWaalsContact C-N 3.3Å; D166-A168 PolarHBondContact O-N 3.43Å; A168-K172 CarbonylContact O-C 3.54Å; A168-K172 VanDerWaalsContact O-CA 3.25Å; A168-K172 WeakPolarHBondContact O-CA 3.49Å; A168-K172 PolarHBondContact O-N 3.5Å; A168-W173 HydrophobicContact CB-CB 3.86Å; A168-W173 HydrophobicContact CB-CE3 4.07Å; A168-W173 PolarHBondContact O-N 2.7Å; A168-V175 HydrophobicContact CB-CG2 3.71Å |
| 169 | A | 93.4 | Very high | 93.9 | Very high | 82 Ų | 82 | 62 Ų | 62 | 68% | 0.678 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -66 | -41.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L165 D166 S167 | L165-A169 PolarHBondContact O-N 2.93Å; D166-A169 PolarHBondContact O-N 3.19Å; S167-A169 VanDerWaalsContact C-N 3.34Å; S167-A169 PolarHBondContact O-N 3.17Å |
| 170 | E | 94.7 | Very high | 93.9 | Very high | 147 Ų | 147 | 60.6 Ų | 60.6 | 69% | 0.687 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -67.5 | -47.4 | 177.5 | -170.3 | -171.5 | 151.1 | 0 | 0 | 112.2 | D166 S167 | D166-E170 PolarHBondContact O-N 2.91Å; S167-E170 PolarHBondContact O-N 2.87Å |
| 171 | K | 92.7 | Very high | 93.4 | Very high | 96 Ų | 96 | 60.3 Ų | 60.3 | 42% | 0.417 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -90.8 | -0.1 | -173.6 | -57 | -73.9 | 173 | 148.7 | 0 | 113.9 | E141 S167 W173 | E141-K171 VanDerWaalsContact OE1-CE 3.31Å; E141-K171 WeakPolarHBondContact OE1-CE 3.36Å; E141-K171 IonicContact OE1-NZ 2.8Å; E141-K171 PolarHBondContact OE1-NZ 3.15Å; S167-K171 WeakPolarHBondContact O-CB 3.4Å; S167-K171 WeakPolarHBondContact O-CG 3.43Å; S167-K171 PolarHBondContact O-N 3.42Å; K171-W173 VanDerWaalsContact C-N 3.34Å; K171-W173 HydrophobicContact CB-CD2 3.94Å; K171-W173 HydrophobicContact CB-CG 4.15Å; K171-W173 HydrophobicContact CB-CZ2 3.94Å; K171-W173 HydrophobicContact CG-CH2 4.38Å; K171-W173 HydrophobicContact CG-CZ2 3.89Å |
| 172 | K | 93.6 | Very high | 92.9 | Very high | 184 Ų | 184 | 65.9 Ų | 65.9 | 80% | 0.8 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 38.4 | -176.9 | -55.1 | 178.6 | -179 | 176.9 | 0 | 113.6 | A168 | A168-K172 CarbonylContact O-C 3.54Å; A168-K172 VanDerWaalsContact O-CA 3.25Å; A168-K172 WeakPolarHBondContact O-CA 3.49Å; A168-K172 PolarHBondContact O-N 3.5Å |
| 173 | W | 94.7 | Very high | 92.4 | Very high | 33 Ų | 33 | 61.3 Ų | 61.3 | 13% | 0.125 | 33% | 0.332 | C | S | . | . | trans | -75.5 | 144.5 | 175.3 | -59.2 | -28.5 | 0 | 0 | 0 | 111.7 | L137 I140 E141 W145 D146 F148 A168 K171 V175 | L137-W173 HydrophobicContact CD2-CH2 4.24Å; L137-W173 HydrophobicContact CD2-CZ3 3.95Å; I140-W173 HydrophobicContact CB-CH2 4.25Å; I140-W173 HydrophobicContact CG2-CD2 4.45Å; I140-W173 HydrophobicContact CG2-CE3 4.4Å; I140-W173 HydrophobicContact CG2-CH2 3.71Å; I140-W173 HydrophobicContact CG2-CZ2 3.74Å; I140-W173 HydrophobicContact CG2-CZ3 4.05Å; E141-W173 HydrophobicContact CG-CH2 4.41Å; E141-W173 HydrophobicContact CG-CZ2 4.09Å; W145-W173 PolarHBondContact O-NE1 3.08Å; D146-W173 CarbonylContact O-C 3.59Å; D146-W173 VanDerWaalsContact O-CA 3.32Å; D146-W173 WeakPolarHBondContact O-CA 3.31Å; F148-W173 HydrophobicContact CE1-CB 4.24Å; F148-W173 HydrophobicContact CE1-CD2 4.26Å; F148-W173 HydrophobicContact CE1-CE3 4.27Å; F148-W173 HydrophobicContact CE1-CG 4.29Å; F148-W173 HydrophobicContact CZ-CE3 4.1Å; A168-W173 HydrophobicContact CB-CB 3.86Å; A168-W173 HydrophobicContact CB-CE3 4.07Å; A168-W173 PolarHBondContact O-N 2.7Å; K171-W173 VanDerWaalsContact C-N 3.34Å; K171-W173 HydrophobicContact CB-CD2 3.94Å; K171-W173 HydrophobicContact CB-CG 4.15Å; K171-W173 HydrophobicContact CB-CZ2 3.94Å; K171-W173 HydrophobicContact CG-CH2 4.38Å; K171-W173 HydrophobicContact CG-CZ2 3.89Å; W173-V175 HydrophobicContact CB-CG2 4.11Å | ||
| 174 | Q | 92.8 | Very high | 91.8 | Very high | 130 Ų | 130 | 63.8 Ų | 63.8 | 61% | 0.607 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 96.6 | 171.9 | -67.5 | -175.5 | 4.3 | 0 | 0 | 109.7 | D146 K147 F148 | D146-Q174 PolarHBondContact O-N 3.06Å; K147-Q174 WeakPolarHBondContact CA-O 3.35Å; K147-Q174 HydrophobicContact CB-CB 4.17Å; K147-Q174 HydrophobicContact CG-CB 4.03Å; F148-Q174 PolarHBondContact N-O 3.39Å; F148-Q174 VanDerWaalsContact N-O 3.15Å |
| 175 | V | 95.3 | Very high | 91.2 | Very high | 32 Ų | 32 | 69.4 Ų | 69.4 | 19% | 0.194 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 122.7 | -177.7 | -173 | 0 | 0 | 0 | 0 | 110.3 | F148 V164 A168 W173 | F148-V175 HydrophobicContact CD2-CG1 4.36Å; F148-V175 HydrophobicContact CD2-CG2 4.49Å; F148-V175 HydrophobicContact CE1-CG2 4.18Å; F148-V175 HydrophobicContact CE2-CB 4.41Å; F148-V175 HydrophobicContact CE2-CG1 3.92Å; F148-V175 HydrophobicContact CE2-CG2 3.75Å; F148-V175 HydrophobicContact CZ-CG2 3.57Å; F148-V175 WeakPolarHBondContact O-CA 3.33Å; V164-V175 HydrophobicContact CG1-CG2 4.42Å; A168-V175 HydrophobicContact CB-CG2 3.71Å; W173-V175 HydrophobicContact CB-CG2 4.11Å |
| 176 | T | 94.4 | Very high | 90.7 | Very high | 33 Ų | 33 | 73 Ų | 73 | 20% | 0.202 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 97.2 | 168.9 | -57 | 0 | 0 | 0 | 0 | 108.7 | F148 A149 Y150 I178 K202 | F148-T176 PolarHBondContact O-N 3.38Å; A149-T176 CarbonylContact C-O 3.56Å; A149-T176 WeakPolarHBondContact CA-O 3.41Å; Y150-T176 PolarHBondContact N-O 3.08Å; T176-I178 HydrophobicContact CG2-CD1 4.13Å; T176-I178 HydrophobicContact CG2-CG1 4.17Å; T176-K202 PolarHBondContact OG1-NZ 3.41Å |
| 177 | A | 94.7 | Very high | 90.3 | Very high | 44 Ų | 44 | 73.2 Ų | 73.2 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 128.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y150 Y152 L161 | Y150-A177 CarbonylContact O-C 3.58Å; Y150-A177 WeakPolarHBondContact O-CA 3.28Å; Y152-A177 HydrophobicContact CE1-CB 4.2Å; L161-A177 HydrophobicContact CD1-CB 3.93Å |
| 178 | I | 93.5 | Very high | 89.9 | Confident | 43 Ų | 43 | 74.3 Ų | 74.3 | 22% | 0.221 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 126.7 | -178.7 | -50 | 175.3 | 0 | 0 | 0 | 110.1 | Y150 L151 Y152 T176 L195 L199 | Y150-I178 PolarHBondContact O-N 2.87Å; L151-I178 WeakPolarHBondContact CA-O 3.42Å; L151-I178 HydrophobicContact CD2-CB 3.83Å; L151-I178 HydrophobicContact CD2-CD1 4.26Å; L151-I178 HydrophobicContact CD2-CG1 4.38Å; Y152-I178 VanDerWaalsContact CD1-O 3.28Å; Y152-I178 WeakPolarHBondContact CD1-O 3.47Å; Y152-I178 VanDerWaalsContact CE1-C 3.47Å; Y152-I178 PolarHBondContact N-O 3.3Å; Y152-I178 VanDerWaalsContact N-O 3.09Å; T176-I178 HydrophobicContact CG2-CD1 4.13Å; T176-I178 HydrophobicContact CG2-CG1 4.17Å; I178-L195 HydrophobicContact CB-CD1 4.15Å; I178-L195 HydrophobicContact CD1-CD1 3.42Å; I178-L195 VanDerWaalsContact CD1-CD1 3.42Å; I178-L195 HydrophobicContact CG1-CD1 4.34Å; I178-L195 HydrophobicContact CG2-CD1 3.55Å; I178-L199 HydrophobicContact CD1-CD2 3.88Å; I178-L199 HydrophobicContact CD1-CG 4.49Å |
| 179 | N | 93.1 | Very high | 89.4 | Confident | 52 Ų | 52 | 77.1 Ų | 77.1 | 28% | 0.278 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 121.8 | 176 | -174.2 | -3.9 | 0 | 0 | 0 | 110.2 | Y152 G181 | Y152-N179 HydrophobicContact CE1-CB 4.15Å; Y152-N179 HydrophobicContact CE2-CB 3.99Å; Y152-N179 WeakPolarHBondContact O-CA 3.5Å; Y152-N179 PolarHBondContact O-OD1 3.41Å; N179-G181 PolarHBondContact OD1-N 3.04Å |
| 180 | V | 90.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 79.7 Ų | 79.7 | 1% | 0.006 | 40% | 0.401 | C | S | . | . | trans | -107.3 | -5.3 | 178.3 | -64.2 | 0 | 0 | 0 | 0 | 113.4 | L151 Y152 I183 L195 C211 I219 | L151-V180 HydrophobicContact CB-CG1 4.12Å; L151-V180 HydrophobicContact CD2-CG1 4.2Å; Y152-V180 WeakPolarHBondContact O-CG2 3.48Å; Y152-V180 PolarHBondContact O-N 3.41Å; V180-I183 HydrophobicContact CB-CD1 4.17Å; V180-I183 HydrophobicContact CG1-CD1 4.46Å; V180-I183 WeakPolarHBondContact O-CG1 3.2Å; V180-L195 HydrophobicContact CG1-CD2 3.97Å; V180-C211 VanDerWaalsContact CG2-SG 3.5Å; V180-I219 HydrophobicContact CG2-CD1 4.11Å | ||
| 181 | G | 82.2 | Confident | 88.8 | Confident | 16 Ų | 16 | 76.6 Ų | 76.6 | 17% | 0.165 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -38.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D153 N179 I183 | D153-G181 VanDerWaalsContact OD1-CA 3.26Å; D153-G181 WeakPolarHBondContact OD1-CA 3.3Å; N179-G181 PolarHBondContact OD1-N 3.04Å; G181-I183 PolarHBondContact O-N 3.32Å; G181-I183 VanDerWaalsContact O-N 3.13Å |
| 182 | N | 82.8 | Confident | 88.7 | Confident | 131 Ų | 131 | 72 Ų | 72 | 70% | 0.701 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 5.2 | -173.6 | -68.4 | -14.9 | 0 | 0 | 0 | 115.2 | N184 | N182-N184 PolarHBondContact O-N 3.06Š|
| 183 | I | 82.6 | Confident | 88.5 | Confident | 17 Ų | 17 | 68.2 Ų | 68.2 | 9% | 0.087 | 35% | 0.348 | C | S | . | . | trans | -74.7 | 120.9 | -178.3 | -61.6 | 175.1 | 0 | 0 | 0 | 109.1 | V180 G181 K188 M191 Y192 | V180-I183 HydrophobicContact CB-CD1 4.17Å; V180-I183 HydrophobicContact CG1-CD1 4.46Å; V180-I183 WeakPolarHBondContact O-CG1 3.2Å; G181-I183 PolarHBondContact O-N 3.32Å; G181-I183 VanDerWaalsContact O-N 3.13Å; I183-K188 HydrophobicContact CG2-CB 4.24Å; I183-K188 HydrophobicContact CG2-CG 4.13Å; I183-M191 HydrophobicContact CB-SD 4.34Å; I183-M191 HydrophobicContact CD1-CB 4.5Å; I183-M191 HydrophobicContact CG1-CE 3.87Å; I183-M191 HydrophobicContact CG1-SD 4.28Å; I183-M191 HydrophobicContact CG2-CB 4.05Å; I183-M191 HydrophobicContact CG2-CG 4.49Å; I183-M191 HydrophobicContact CG2-SD 3.84Å; I183-Y192 HydrophobicContact CD1-CD1 4.02Å; I183-Y192 HydrophobicContact CD1-CE1 3.56Å | ||
| 184 | N | 82.9 | Confident | 88.3 | Confident | 70 Ų | 70 | 69.3 Ų | 69.3 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | trans | -71.4 | 142.7 | 175.1 | 63.5 | -20.1 | 0 | 0 | 0 | 110.8 | N182 D186 K187 K188 | N182-N184 PolarHBondContact O-N 3.06Å; N184-D186 PolarHBondContact O-N 3.36Å; N184-K187 PolarHBondContact O-N 2.96Å; N184-K187 WeakPolarHBondContact OD1-CB 3.35Å; N184-K188 PolarHBondContact O-N 2.92Å | ||
| 185 | N | 82.5 | Confident | 88.3 | Confident | 119 Ų | 119 | 63.8 Ų | 63.8 | 64% | 0.636 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -60.8 | -32.6 | -177.7 | -71.7 | -19.2 | 0 | 0 | 0 | 112.5 | K187 K188 | N185-K187 PolarHBondContact O-N 3.34Å; N185-K188 WeakPolarHBondContact O-CB 3.42Å; N185-K188 PolarHBondContact O-N 3.38Å |
| 186 | D | 84.2 | Confident | 88.1 | Confident | 155 Ų | 155 | 62.5 Ų | 62.5 | 83% | 0.829 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -68.4 | -31.7 | -176.9 | -54.5 | -32.4 | 0 | 0 | 0 | 113.7 | N184 | N184-D186 PolarHBondContact O-N 3.36Š|
| 187 | K | 85.7 | Confident | 87.9 | Confident | 122 Ų | 122 | 67.1 Ų | 67.1 | 53% | 0.53 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -113.4 | 19.6 | 179 | -55.5 | -173.7 | 174 | -173.2 | 0 | 113 | N184 N185 D189 E190 M191 | N184-K187 PolarHBondContact O-N 2.96Å; N184-K187 WeakPolarHBondContact OD1-CB 3.35Å; N185-K187 PolarHBondContact O-N 3.34Å; K187-D189 PolarHBondContact O-N 3.49Å; K187-E190 PolarHBondContact O-N 2.92Å; K187-M191 HydrophobicContact CB-CG 4.42Å; K187-M191 WeakPolarHBondContact O-CG 3.27Å; K187-M191 PolarHBondContact O-N 3.4Å |
| 188 | K | 86 | Confident | 87.7 | Confident | 45 Ų | 45 | 69.4 Ų | 69.4 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.5 | -45.6 | -174.4 | -169.3 | 171.8 | 81.6 | 178.2 | 0 | 112.8 | I183 N184 N185 Y192 D218 | I183-K188 HydrophobicContact CG2-CB 4.24Å; I183-K188 HydrophobicContact CG2-CG 4.13Å; N184-K188 PolarHBondContact O-N 2.92Å; N185-K188 WeakPolarHBondContact O-CB 3.42Å; N185-K188 PolarHBondContact O-N 3.38Å; K188-Y192 HydrophobicContact CD-CE2 3.88Å; K188-Y192 HydrophobicContact CG-CD2 3.62Å; K188-Y192 HydrophobicContact CG-CE2 3.29Å; K188-Y192 WeakPolarHBondContact O-CD2 3.28Å; K188-Y192 PolarHBondContact O-N 3.23Å; K188-D218 IonicContact NZ-OD1 3.83Å; K188-D218 PolarHBondContact NZ-OD1 3.24Å; K188-D218 IonicContact NZ-OD2 2.7Å; K188-D218 PolarHBondContact NZ-OD2 2.67Å |
| 189 | D | 84.7 | Confident | 87.7 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.7 | -47.4 | -178.4 | -167.3 | 70.1 | 0 | 0 | 0 | 112.3 | K187 Y192 R193 Q222 | K187-D189 PolarHBondContact O-N 3.49Å; D189-Y192 PolarHBondContact O-N 3.26Å; D189-R193 VanDerWaalsContact O-CG 3.3Å; D189-R193 WeakPolarHBondContact O-CG 3.36Å; D189-R193 PolarHBondContact O-N 2.81Å; D189-R193 IonicContact OD1-NE 3.23Å; D189-R193 IonicContact OD1-NH2 2.66Å; D189-R193 IonicContact OD2-CZ 2.78Å; D189-R193 IonicContact OD2-NE 2.75Å; D189-R193 PolarHBondContact OD2-NE 3.22Å; D189-R193 IonicContact OD2-NH2 2.66Å; D189-R193 PolarHBondContact OD2-NH2 3.33Å; D189-Q222 PolarHBondContact OD1-NE2 3.33Å; D189-Q222 PolarHBondContact OD1-OE1 3.46Å; D189-Q222 VanDerWaalsContact OD1-OE1 3.06Å |
| 190 | E | 87.8 | Confident | 87.4 | Confident | 136 Ų | 136 | 67.2 Ų | 67.2 | 64% | 0.636 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66.1 | -43.4 | -179.5 | -172.1 | -179.6 | -172.1 | 0 | 0 | 111.6 | K187 Y192 R193 S194 | K187-E190 PolarHBondContact O-N 2.92Å; E190-Y192 PolarHBondContact O-N 2.95Å; E190-R193 PolarHBondContact O-N 2.86Å; E190-S194 WeakPolarHBondContact O-CB 3.46Å; E190-S194 PolarHBondContact O-N 2.92Å |
| 191 | M | 88.7 | Confident | 87.2 | Confident | 81 Ų | 81 | 72.9 Ų | 72.9 | 40% | 0.399 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 179.3 | -71.5 | -171.2 | 72.4 | 0 | 0 | 112.1 | I183 K187 S194 L195 | I183-M191 HydrophobicContact CB-SD 4.34Å; I183-M191 HydrophobicContact CD1-CB 4.5Å; I183-M191 HydrophobicContact CG1-CE 3.87Å; I183-M191 HydrophobicContact CG1-SD 4.28Å; I183-M191 HydrophobicContact CG2-CB 4.05Å; I183-M191 HydrophobicContact CG2-CG 4.49Å; I183-M191 HydrophobicContact CG2-SD 3.84Å; K187-M191 HydrophobicContact CB-CG 4.42Å; K187-M191 WeakPolarHBondContact O-CG 3.27Å; K187-M191 PolarHBondContact O-N 3.4Å; M191-S194 PolarHBondContact O-N 3.4Å; M191-L195 VanDerWaalsContact O-CB 3.3Å; M191-L195 WeakPolarHBondContact O-CB 3.41Å; M191-L195 PolarHBondContact O-N 3.35Å |
| 192 | Y | 89.7 | Confident | 87.3 | Confident | 1 Ų | 1 | 77.4 Ų | 77.4 | 0% | 0.004 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68 | -39.1 | 175.3 | -76 | -51.5 | 0 | 0 | 0 | 112.4 | I183 K188 D189 E190 S194 L195 F196 I219 Q222 | I183-Y192 HydrophobicContact CD1-CD1 4.02Å; I183-Y192 HydrophobicContact CD1-CE1 3.56Å; K188-Y192 HydrophobicContact CD-CE2 3.88Å; K188-Y192 HydrophobicContact CG-CD2 3.62Å; K188-Y192 HydrophobicContact CG-CE2 3.29Å; K188-Y192 WeakPolarHBondContact O-CD2 3.28Å; K188-Y192 PolarHBondContact O-N 3.23Å; D189-Y192 PolarHBondContact O-N 3.26Å; E190-Y192 PolarHBondContact O-N 2.95Å; Y192-S194 VanDerWaalsContact C-N 3.34Å; Y192-S194 PolarHBondContact O-N 3.49Å; Y192-L195 HydrophobicContact CD1-CD2 4.01Å; Y192-L195 HydrophobicContact CE1-CD2 4.48Å; Y192-L195 WeakPolarHBondContact O-CB 3.38Å; Y192-L195 PolarHBondContact O-N 3.44Å; Y192-F196 VanDerWaalsContact O-CD2 3.24Å; Y192-F196 WeakPolarHBondContact O-CD2 3.26Å; Y192-F196 PolarHBondContact O-N 3.49Å; Y192-I219 HydrophobicContact CE1-CD1 4.36Å; Y192-I219 HydrophobicContact CE1-CG1 3.64Å; Y192-I219 WeakPolarHBondContact OH-CG1 3.45Å; Y192-Q222 HydrophobicContact CD2-CB 4.3Å; Y192-Q222 HydrophobicContact CD2-CG 3.64Å; Y192-Q222 HydrophobicContact CE2-CG 4.35Å; Y192-Q222 HydrophobicContact CG-CB 4.34Å; Y192-Q222 HydrophobicContact CG-CG 4.13Å |
| 193 | R | 89.4 | Confident | 87.4 | Confident | 103 Ų | 103 | 74 Ų | 74 | 39% | 0.389 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 173.3 | -72.5 | 174 | -170.6 | -90.9 | -5.1 | 111.5 | D189 E190 F196 Q197 I226 | D189-R193 VanDerWaalsContact O-CG 3.3Å; D189-R193 WeakPolarHBondContact O-CG 3.36Å; D189-R193 PolarHBondContact O-N 2.81Å; D189-R193 IonicContact OD1-NE 3.23Å; D189-R193 IonicContact OD1-NH2 2.66Å; D189-R193 IonicContact OD2-CZ 2.78Å; D189-R193 IonicContact OD2-NE 2.75Å; D189-R193 PolarHBondContact OD2-NE 3.22Å; D189-R193 IonicContact OD2-NH2 2.66Å; D189-R193 PolarHBondContact OD2-NH2 3.33Å; E190-R193 PolarHBondContact O-N 2.86Å; R193-F196 PolarHBondContact O-N 2.89Å; R193-Q197 VanDerWaalsContact O-CG 3.28Å; R193-Q197 WeakPolarHBondContact O-CG 3.36Å; R193-Q197 PolarHBondContact O-N 2.95Å; R193-I226 HydrophobicContact CG-CG2 4.24Å |
| 194 | S | 91.2 | Very high | 87.8 | Confident | 56 Ų | 56 | 73.6 Ų | 73.6 | 39% | 0.392 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61 | -48.4 | 176.5 | -172.4 | 0 | 0 | 0 | 0 | 111.5 | E190 M191 Y192 F196 Q197 D198 | E190-S194 WeakPolarHBondContact O-CB 3.46Å; E190-S194 PolarHBondContact O-N 2.92Å; M191-S194 PolarHBondContact O-N 3.4Å; Y192-S194 VanDerWaalsContact C-N 3.34Å; Y192-S194 PolarHBondContact O-N 3.49Å; S194-F196 VanDerWaalsContact C-N 3.32Å; S194-F196 PolarHBondContact O-N 3.25Å; S194-Q197 WeakPolarHBondContact O-CA 3.26Å; S194-Q197 WeakPolarHBondContact O-CB 3.28Å; S194-Q197 PolarHBondContact O-N 3.32Å; S194-D198 PolarHBondContact O-N 2.93Å |
| 195 | L | 92.2 | Very high | 88.2 | Confident | 15 Ų | 15 | 71.5 Ų | 71.5 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -52.4 | -49.1 | 175.8 | 175.3 | 67.4 | 0 | 0 | 0 | 112 | L151 I178 V180 M191 Y192 Q197 D198 L199 | L151-L195 HydrophobicContact CD1-CD2 4.18Å; L151-L195 HydrophobicContact CD2-CD1 4.32Å; L151-L195 HydrophobicContact CD2-CD2 4.15Å; I178-L195 HydrophobicContact CB-CD1 4.15Å; I178-L195 HydrophobicContact CD1-CD1 3.42Å; I178-L195 VanDerWaalsContact CD1-CD1 3.42Å; I178-L195 HydrophobicContact CG1-CD1 4.34Å; I178-L195 HydrophobicContact CG2-CD1 3.55Å; V180-L195 HydrophobicContact CG1-CD2 3.97Å; M191-L195 VanDerWaalsContact O-CB 3.3Å; M191-L195 WeakPolarHBondContact O-CB 3.41Å; M191-L195 PolarHBondContact O-N 3.35Å; Y192-L195 HydrophobicContact CD1-CD2 4.01Å; Y192-L195 HydrophobicContact CE1-CD2 4.48Å; Y192-L195 WeakPolarHBondContact O-CB 3.38Å; Y192-L195 PolarHBondContact O-N 3.44Å; L195-Q197 VanDerWaalsContact C-N 3.31Å; L195-Q197 PolarHBondContact O-N 3.39Å; L195-D198 WeakPolarHBondContact O-CB 3.45Å; L195-D198 PolarHBondContact O-N 3.11Å; L195-L199 WeakPolarHBondContact O-CG 3.42Å; L195-L199 PolarHBondContact O-N 2.91Å |
| 196 | F | 91.1 | Very high | 88.8 | Confident | 5 Ų | 5 | 69.5 Ų | 69.5 | 2% | 0.022 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -74.9 | -19.3 | -178.8 | -81.8 | -67.5 | 0 | 0 | 0 | 113.8 | Y192 R193 S194 L199 E200 I219 V223 I226 K228 | Y192-F196 VanDerWaalsContact O-CD2 3.24Å; Y192-F196 WeakPolarHBondContact O-CD2 3.26Å; Y192-F196 PolarHBondContact O-N 3.49Å; R193-F196 PolarHBondContact O-N 2.89Å; S194-F196 VanDerWaalsContact C-N 3.32Å; S194-F196 PolarHBondContact O-N 3.25Å; F196-L199 HydrophobicContact CD1-CD1 3.82Å; F196-L199 HydrophobicContact CE1-CD1 3.98Å; F196-E200 WeakPolarHBondContact O-CB 3.26Å; F196-E200 PolarHBondContact O-N 2.94Å; F196-E200 VanDerWaalsContact O-N 3.17Å; F196-I219 HydrophobicContact CZ-CG2 4.29Å; F196-V223 HydrophobicContact CE1-CG2 3.97Å; F196-V223 HydrophobicContact CE2-CG2 3.75Å; F196-V223 HydrophobicContact CZ-CG2 3.27Å; F196-I226 HydrophobicContact CB-CD1 3.46Å; F196-I226 VanDerWaalsContact CB-CD1 3.46Å; F196-I226 HydrophobicContact CD1-CD1 3.88Å; F196-I226 HydrophobicContact CD2-CD1 3.32Å; F196-I226 HydrophobicContact CE1-CD1 4.47Å; F196-I226 HydrophobicContact CE2-CD1 4.01Å; F196-I226 HydrophobicContact CG-CD1 3.26Å; F196-K228 HydrophobicContact CB-CD 4.16Å; F196-K228 HydrophobicContact CD1-CD 3.63Å; F196-K228 HydrophobicContact CE1-CD 4.38Å; F196-K228 HydrophobicContact CG-CD 4.13Å; F196-K228 WeakPolarHBondContact O-CE 3.33Å |
| 197 | Q | 90.2 | Very high | 89.4 | Confident | 130 Ų | 130 | 62.3 Ų | 62.3 | 61% | 0.607 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -71.4 | -42.3 | 167.8 | -73.8 | 171.5 | 7.8 | 0 | 0 | 110.8 | R193 S194 L195 L199 E200 L201 | R193-Q197 VanDerWaalsContact O-CG 3.28Å; R193-Q197 WeakPolarHBondContact O-CG 3.36Å; R193-Q197 PolarHBondContact O-N 2.95Å; S194-Q197 WeakPolarHBondContact O-CA 3.26Å; S194-Q197 WeakPolarHBondContact O-CB 3.28Å; S194-Q197 PolarHBondContact O-N 3.32Å; L195-Q197 VanDerWaalsContact C-N 3.31Å; L195-Q197 PolarHBondContact O-N 3.39Å; Q197-L199 VanDerWaalsContact C-N 3.34Å; Q197-L199 PolarHBondContact O-N 3.13Å; Q197-E200 CarbonylContact O-C 3.59Å; Q197-E200 WeakPolarHBondContact O-CA 3.45Å; Q197-E200 WeakPolarHBondContact O-CB 3.05Å; Q197-E200 PolarHBondContact O-N 3.32Å; Q197-L201 PolarHBondContact O-N 3.01Å |
| 198 | D | 91.2 | Very high | 89.9 | Confident | 91 Ų | 91 | 56.5 Ų | 56.5 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 174.9 | -69.8 | -21.2 | 0 | 0 | 0 | 111.7 | S194 L195 E200 L201 | S194-D198 PolarHBondContact O-N 2.93Å; L195-D198 WeakPolarHBondContact O-CB 3.45Å; L195-D198 PolarHBondContact O-N 3.11Å; D198-E200 PolarHBondContact O-N 2.85Å; D198-L201 WeakPolarHBondContact O-CB 3.49Å; D198-L201 PolarHBondContact O-N 3.31Å |
| 199 | L | 91.7 | Very high | 90.4 | Very high | 8 Ų | 8 | 54.4 Ų | 54.4 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -29.7 | 172.7 | -66 | -179.2 | 0 | 0 | 0 | 112.2 | A149 I178 L195 F196 Q197 K202 K203 E204 | A149-L199 HydrophobicContact CB-CD1 4.46Å; A149-L199 HydrophobicContact CB-CD2 3.68Å; I178-L199 HydrophobicContact CD1-CD2 3.88Å; I178-L199 HydrophobicContact CD1-CG 4.49Å; L195-L199 WeakPolarHBondContact O-CG 3.42Å; L195-L199 PolarHBondContact O-N 2.91Å; F196-L199 HydrophobicContact CD1-CD1 3.82Å; F196-L199 HydrophobicContact CE1-CD1 3.98Å; Q197-L199 VanDerWaalsContact C-N 3.34Å; Q197-L199 PolarHBondContact O-N 3.13Å; L199-K202 PolarHBondContact O-N 3.15Å; L199-K203 PolarHBondContact O-N 3.04Å; L199-E204 HydrophobicContact CB-CB 4.24Å; L199-E204 HydrophobicContact CB-CG 4.37Å; L199-E204 HydrophobicContact CD2-CG 4.06Å; L199-E204 PolarHBondContact O-N 3.47Å |
| 200 | E | 87.9 | Confident | 90.9 | Very high | 41 Ų | 41 | 51.3 Ų | 51.3 | 19% | 0.192 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -76.2 | -24.4 | 177.1 | -163.2 | 62.3 | -153.9 | 0 | 0 | 112.8 | F196 Q197 D198 K202 K203 R205 K228 Y233 | F196-E200 WeakPolarHBondContact O-CB 3.26Å; F196-E200 PolarHBondContact O-N 2.94Å; F196-E200 VanDerWaalsContact O-N 3.17Å; Q197-E200 CarbonylContact O-C 3.59Å; Q197-E200 WeakPolarHBondContact O-CA 3.45Å; Q197-E200 WeakPolarHBondContact O-CB 3.05Å; Q197-E200 PolarHBondContact O-N 3.32Å; D198-E200 PolarHBondContact O-N 2.85Å; E200-K202 PolarHBondContact O-N 3.21Å; E200-K203 HydrophobicContact CG-CD 4.29Å; E200-K203 WeakPolarHBondContact O-CD 3.39Å; E200-K203 PolarHBondContact O-N 3.42Å; E200-K203 WeakPolarHBondContact OE1-CD 3.48Å; E200-K203 WeakPolarHBondContact OE1-CE 3.5Å; E200-K203 IonicContact OE1-NZ 3.71Å; E200-K203 PolarHBondContact OE1-NZ 3.37Å; E200-R205 IonicContact OE1-NH1 3.3Å; E200-R205 IonicContact OE1-NH2 3.42Å; E200-R205 PolarHBondContact OE1-NH2 3.08Å; E200-R205 IonicContact OE2-NH1 3.76Å; E200-R205 PolarHBondContact OE2-NH1 2.98Å; E200-K228 IonicContact OE2-NZ 3.83Å; E200-K228 PolarHBondContact OE2-NZ 2.95Å; E200-Y233 PolarHBondContact OE2-OH 2.94Å |
| 201 | L | 86.8 | Confident | 91 | Very high | 121 Ų | 121 | 44.9 Ų | 44.9 | 63% | 0.634 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -57.1 | -36.8 | 171.5 | -65 | 174 | 0 | 0 | 0 | 111.3 | Q197 D198 I480 | Q197-L201 PolarHBondContact O-N 3.01Å; D198-L201 WeakPolarHBondContact O-CB 3.49Å; D198-L201 PolarHBondContact O-N 3.31Å; L201-I480 VanDerWaalsContact O-CD1 3.29Å; L201-I480 WeakPolarHBondContact O-CD1 3.02Å |
| 202 | K | 83.6 | Confident | 90.9 | Very high | 111 Ų | 111 | 45.4 Ų | 45.4 | 48% | 0.483 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 2.8 | 176 | -69.6 | -174.2 | -174.7 | 175 | 0 | 113.8 | K147 T176 L199 E200 E204 | K147-K202 PolarHBondContact NZ-O 3.26Å; T176-K202 PolarHBondContact OG1-NZ 3.41Å; L199-K202 PolarHBondContact O-N 3.15Å; E200-K202 PolarHBondContact O-N 3.21Å; K202-E204 VanDerWaalsContact C-N 3.28Å; K202-E204 HydrophobicContact CB-CG 4.15Å; K202-E204 PolarHBondContact O-N 2.96Å |
| 203 | K | 85.1 | Confident | 90.9 | Very high | 60 Ų | 60 | 48.3 Ų | 48.3 | 26% | 0.261 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 47.4 | -171.9 | -61.4 | -62.7 | -174.8 | -163.3 | 0 | 112.1 | L199 E200 R205 I480 Y490 | L199-K203 PolarHBondContact O-N 3.04Å; E200-K203 HydrophobicContact CG-CD 4.29Å; E200-K203 WeakPolarHBondContact O-CD 3.39Å; E200-K203 PolarHBondContact O-N 3.42Å; E200-K203 WeakPolarHBondContact OE1-CD 3.48Å; E200-K203 WeakPolarHBondContact OE1-CE 3.5Å; E200-K203 IonicContact OE1-NZ 3.71Å; E200-K203 PolarHBondContact OE1-NZ 3.37Å; K203-R205 PolarHBondContact O-N 2.95Å; K203-I480 HydrophobicContact CG-CD1 4.42Å; K203-I480 HydrophobicContact CG-CG2 4.11Å; K203-Y490 HydrophobicContact CB-CD1 3.97Å; K203-Y490 HydrophobicContact CB-CD2 4.5Å; K203-Y490 HydrophobicContact CB-CE1 3.67Å; K203-Y490 HydrophobicContact CB-CE2 4.23Å; K203-Y490 HydrophobicContact CB-CG 4.4Å; K203-Y490 HydrophobicContact CG-CE1 4.36Å; K203-Y490 HydrophobicContact CG-CE2 4.1Å |
| 204 | E | 90.1 | Very high | 90.8 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | trans | -62.2 | 136.8 | 178.8 | -65 | -60.9 | 163.9 | 0 | 0 | 111.2 | K147 L199 K202 Y233 | K147-E204 VanDerWaalsContact CE-CD 3.5Å; K147-E204 WeakPolarHBondContact CE-OE1 3.48Å; K147-E204 WeakPolarHBondContact CE-OE2 3.37Å; K147-E204 IonicContact NZ-OE1 2.9Å; L199-E204 HydrophobicContact CB-CB 4.24Å; L199-E204 HydrophobicContact CB-CG 4.37Å; L199-E204 HydrophobicContact CD2-CG 4.06Å; L199-E204 PolarHBondContact O-N 3.47Å; K202-E204 VanDerWaalsContact C-N 3.28Å; K202-E204 HydrophobicContact CB-CG 4.15Å; K202-E204 PolarHBondContact O-N 2.96Å; E204-Y233 WeakPolarHBondContact O-CE1 3.48Å | ||
| 205 | R | 91.6 | Very high | 90.7 | Very high | 25 Ų | 25 | 46.7 Ų | 46.7 | 9% | 0.094 | 22% | 0.218 | C | C | . | . | trans | -123.6 | -13.8 | -179.2 | -64.9 | -60.3 | 171.6 | -106.3 | 5.8 | 113.3 | E200 K203 G232 Y233 H234 | E200-R205 IonicContact OE1-NH1 3.3Å; E200-R205 IonicContact OE1-NH2 3.42Å; E200-R205 PolarHBondContact OE1-NH2 3.08Å; E200-R205 IonicContact OE2-NH1 3.76Å; E200-R205 PolarHBondContact OE2-NH1 2.98Å; K203-R205 PolarHBondContact O-N 2.95Å; R205-G232 WeakPolarHBondContact CB-O 3.31Å; R205-Y233 PolarHBondContact NH1-OH 3.33Å; R205-Y233 VanDerWaalsContact NH1-OH 3.1Å; R205-Y233 CarbonylContact O-C 3.58Å; R205-Y233 WeakPolarHBondContact O-CA 3.33Å; R205-H234 PolarHBondContact O-N 3.29Å | ||
| 206 | R | 95.7 | Very high | 90.7 | Very high | 78 Ų | 78 | 46.3 Ų | 46.3 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 119.2 | -174.9 | -67.2 | 164.9 | -177.8 | 165.1 | -2.5 | 108.2 | W145 D146 K147 F148 A149 H234 | W145-R206 HydrophobicContact CD2-CB 4.05Å; W145-R206 HydrophobicContact CD2-CG 4Å; W145-R206 HydrophobicContact CE3-CB 3.89Å; W145-R206 HydrophobicContact CE3-CG 4.37Å; W145-R206 HydrophobicContact CH2-CB 3.75Å; W145-R206 HydrophobicContact CH2-CG 4.18Å; W145-R206 HydrophobicContact CZ2-CB 3.93Å; W145-R206 HydrophobicContact CZ2-CG 3.82Å; W145-R206 HydrophobicContact CZ3-CB 3.73Å; W145-R206 HydrophobicContact CZ3-CG 4.44Å; D146-R206 IonicContact OD1-CZ 3.87Å; D146-R206 IonicContact OD1-NH1 3.57Å; D146-R206 PolarHBondContact OD1-NH1 3.48Å; K147-R206 VanDerWaalsContact O-CD 3.3Å; K147-R206 WeakPolarHBondContact O-CD 3.43Å; K147-R206 PolarHBondContact O-NH1 2.72Å; F148-R206 WeakPolarHBondContact CA-O 3.01Å; F148-R206 HydrophobicContact CB-CB 3.73Å; A149-R206 PolarHBondContact N-O 2.91Å; R206-H234 WeakPolarHBondContact CA-O 3.37Å |
| 207 | V | 96.6 | Very high | 90.8 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 126.9 | -174.5 | -175 | 0 | 0 | 0 | 0 | 109.5 | A149 L151 L209 H234 Y235 I236 | A149-V207 HydrophobicContact CB-CG2 4.42Å; A149-V207 CarbonylContact O-C 3.52Å; A149-V207 WeakPolarHBondContact O-CA 3.48Å; L151-V207 HydrophobicContact CD1-CG1 3.9Å; L151-V207 HydrophobicContact CG-CG1 3.96Å; V207-L209 HydrophobicContact CG1-CD2 3.89Å; V207-H234 PolarHBondContact N-O 3.46Å; V207-Y235 HydrophobicContact CB-CD1 3.75Å; V207-Y235 HydrophobicContact CB-CE1 3.78Å; V207-Y235 HydrophobicContact CG1-CD1 4.24Å; V207-Y235 HydrophobicContact CG1-CE1 4.21Å; V207-Y235 HydrophobicContact CG2-CD1 4.44Å; V207-Y235 HydrophobicContact CG2-CE1 4.01Å; V207-Y235 CarbonylContact O-C 3.13Å; V207-Y235 VanDerWaalsContact O-CA 3.29Å; V207-Y235 WeakPolarHBondContact O-CA 3.49Å; V207-I236 PolarHBondContact O-N 3.04Å |
| 208 | I | 97.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 129.3 | 172 | -53.8 | -173.9 | 0 | 0 | 0 | 107.9 | L136 I140 W145 F148 A149 Y150 L151 I236 A238 | L136-I208 HydrophobicContact CD1-CG2 4.29Å; I140-I208 HydrophobicContact CD1-CD1 3.66Å; I140-I208 HydrophobicContact CG1-CD1 4Å; W145-I208 HydrophobicContact CE3-CD1 4.49Å; W145-I208 HydrophobicContact CZ3-CD1 4.14Å; W145-I208 HydrophobicContact CZ3-CG1 3.73Å; F148-I208 HydrophobicContact CD2-CD1 3.66Å; F148-I208 HydrophobicContact CD2-CG1 4.06Å; F148-I208 HydrophobicContact CE2-CD1 3.62Å; F148-I208 HydrophobicContact CE2-CG1 4.48Å; F148-I208 HydrophobicContact CG-CD1 4.46Å; F148-I208 HydrophobicContact CZ-CD1 4.38Å; A149-I208 PolarHBondContact O-N 3.06Å; Y150-I208 HydrophobicContact CD2-CB 3.78Å; Y150-I208 HydrophobicContact CD2-CD1 4.14Å; Y150-I208 HydrophobicContact CD2-CG1 4.44Å; Y150-I208 HydrophobicContact CD2-CG2 3.82Å; Y150-I208 HydrophobicContact CE2-CB 4.21Å; Y150-I208 HydrophobicContact CE2-CG2 3.7Å; L151-I208 PolarHBondContact N-O 3.17Å; I208-I236 CarbonylContact C-O 3.54Å; I208-I236 WeakPolarHBondContact CA-O 3.13Å; I208-I236 HydrophobicContact CG1-CB 4.31Å; I208-I236 HydrophobicContact CG2-CG2 4.49Å; I208-A238 HydrophobicContact CG2-CB 4.2Å |
| 209 | L | 95.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 101.8 | 177.4 | -57.7 | -178.7 | 0 | 0 | 0 | 109.1 | L151 V207 V216 I219 Y235 I236 A238 | L151-L209 HydrophobicContact CB-CD2 3.99Å; L151-L209 HydrophobicContact CD1-CD2 3.7Å; L151-L209 HydrophobicContact CG-CD2 4.2Å; V207-L209 HydrophobicContact CG1-CD2 3.89Å; L209-V216 HydrophobicContact CD1-CG1 4.49Å; L209-I219 HydrophobicContact CD1-CG2 4.33Å; L209-I219 HydrophobicContact CD2-CD1 4.42Å; L209-I219 HydrophobicContact CD2-CG2 3.97Å; L209-Y235 HydrophobicContact CD1-CD1 4.43Å; L209-I236 PolarHBondContact N-O 3.09Å; L209-A238 PolarHBondContact O-N 3.29Å |
| 210 | D | 94.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.011 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 71 | 174.5 | -174.1 | 12.6 | 0 | 0 | 0 | 110.6 | Y150 L151 Y152 D153 R156 T160 A238 | Y150-D210 HydrophobicContact CE1-CB 3.93Å; Y150-D210 WeakPolarHBondContact OH-CB 3.36Å; Y150-D210 PolarHBondContact OH-OD2 2.85Å; L151-D210 PolarHBondContact O-N 3Å; Y152-D210 WeakPolarHBondContact CA-O 3.45Å; D153-D210 PolarHBondContact N-O 3.17Å; D153-D210 VanDerWaalsContact N-O 3.09Å; R156-D210 IonicContact CZ-OD1 3.57Å; R156-D210 IonicContact NH1-OD1 2.68Å; R156-D210 PolarHBondContact NH1-OD1 2.87Å; T160-D210 WeakPolarHBondContact CB-OD2 3.49Å; T160-D210 PolarHBondContact OG1-OD2 2.7Å; D210-A238 HydrophobicContact CB-CB 4.06Å |
| 211 | C | 91.2 | Very high | 91 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -133.2 | 166.2 | -177.9 | -53.8 | 0 | 0 | 0 | 0 | 110.9 | D153 V180 K215 V216 | D153-C211 HydrophobicContact CB-CB 4.44Å; V180-C211 VanDerWaalsContact CG2-SG 3.5Å; C211-K215 HydrophobicContact CB-CB 3.71Å; C211-V216 HydrophobicContact CB-CG2 4.07Å |
| 212 | E | 86.5 | Confident | 91.2 | Very high | 92 Ų | 92 | 35.2 Ų | 35.2 | 43% | 0.43 | 16% | 0.163 | S | C | . | . | trans | -67 | 160 | 167.3 | -63.8 | -162.5 | 155.6 | 0 | 0 | 111.9 | R156 D214 K215 V216 | R156-E212 HydrophobicContact CG-CG 3.96Å; E212-D214 VanDerWaalsContact C-N 3.27Å; E212-D214 PolarHBondContact O-N 3.21Å; E212-K215 PolarHBondContact O-N 3.07Å; E212-K215 VanDerWaalsContact O-N 3.11Å; E212-V216 WeakPolarHBondContact O-CG2 3.26Å; E212-V216 PolarHBondContact O-N 3.24Å | ||
| 213 | R | 89.3 | Confident | 91.6 | Very high | 63 Ų | 63 | 30.2 Ų | 30.2 | 24% | 0.238 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -52.4 | -42.8 | -175.1 | -177.1 | -169.7 | 61.6 | 74.4 | 15 | 112.8 | V216 N217 D244 | R213-V216 PolarHBondContact O-N 2.86Å; R213-N217 PolarHBondContact O-N 3.26Å; R213-D244 WeakPolarHBondContact CD-O 3.18Å |
| 214 | D | 87.9 | Confident | 91.9 | Very high | 89 Ų | 89 | 29.5 Ų | 29.5 | 48% | 0.476 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -66.2 | -42.2 | -178.2 | -66 | -53.4 | 0 | 0 | 0 | 111.9 | E212 N217 D218 | E212-D214 VanDerWaalsContact C-N 3.27Å; E212-D214 PolarHBondContact O-N 3.21Å; D214-N217 PolarHBondContact O-N 2.99Å; D214-D218 PolarHBondContact O-N 3.36Å |
| 215 | K | 89.2 | Confident | 92 | Very high | 36 Ų | 36 | 33.1 Ų | 33.1 | 16% | 0.157 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67 | -35.5 | 173.7 | -70.8 | -71.2 | -167.4 | 170.1 | 0 | 112.4 | C211 E212 D218 I219 | C211-K215 HydrophobicContact CB-CB 3.71Å; E212-K215 PolarHBondContact O-N 3.07Å; E212-K215 VanDerWaalsContact O-N 3.11Å; K215-D218 PolarHBondContact O-N 2.67Å; K215-I219 VanDerWaalsContact O-CG1 3.26Å; K215-I219 WeakPolarHBondContact O-CG1 3.48Å; K215-I219 PolarHBondContact O-N 3.42Å |
| 216 | V | 91.9 | Very high | 92 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.6 | -47 | 174.3 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | L209 C211 E212 R213 D218 I219 V220 I237 | L209-V216 HydrophobicContact CD1-CG1 4.49Å; C211-V216 HydrophobicContact CB-CG2 4.07Å; E212-V216 WeakPolarHBondContact O-CG2 3.26Å; E212-V216 PolarHBondContact O-N 3.24Å; R213-V216 PolarHBondContact O-N 2.86Å; V216-D218 PolarHBondContact O-N 2.94Å; V216-I219 PolarHBondContact O-N 2.95Å; V216-V220 HydrophobicContact CG1-CG2 4.14Å; V216-V220 WeakPolarHBondContact O-CB 3.49Å; V216-V220 WeakPolarHBondContact O-CG2 2.97Å; V216-V220 PolarHBondContact O-N 3.33Å; V216-I237 HydrophobicContact CG1-CD1 4.15Å; V216-I237 HydrophobicContact CG1-CG2 4.28Å; V216-I237 HydrophobicContact CG2-CG2 4.26Å |
| 217 | N | 91.7 | Very high | 91.7 | Very high | 31 Ų | 31 | 32 Ų | 32 | 17% | 0.166 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.5 | -44 | 177.3 | -71.8 | -23 | 0 | 0 | 0 | 111.9 | R213 D214 I219 V220 D221 D246 | R213-N217 PolarHBondContact O-N 3.26Å; D214-N217 PolarHBondContact O-N 2.99Å; N217-I219 PolarHBondContact O-N 3.45Å; N217-V220 PolarHBondContact O-N 2.73Å; N217-D221 PolarHBondContact O-N 3.11Å; N217-D246 PolarHBondContact OD1-N 3.35Å |
| 218 | D | 90.2 | Very high | 91.5 | Very high | 42 Ų | 42 | 33.1 Ų | 33.1 | 23% | 0.225 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.5 | -46 | 175.5 | -83 | -19 | 0 | 0 | 0 | 112.6 | K188 D214 K215 V216 Q222 | K188-D218 IonicContact NZ-OD1 3.83Å; K188-D218 PolarHBondContact NZ-OD1 3.24Å; K188-D218 IonicContact NZ-OD2 2.7Å; K188-D218 PolarHBondContact NZ-OD2 2.67Å; D214-D218 PolarHBondContact O-N 3.36Å; K215-D218 PolarHBondContact O-N 2.67Å; V216-D218 PolarHBondContact O-N 2.94Å; D218-Q222 VanDerWaalsContact O-CG 3.27Å; D218-Q222 WeakPolarHBondContact O-CG 3.42Å; D218-Q222 PolarHBondContact O-N 3.18Å |
| 219 | I | 92 | Very high | 91.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.7 | -41.4 | 178.8 | -67.9 | 167.3 | 0 | 0 | 0 | 110.3 | V180 Y192 F196 L209 K215 V216 N217 Q222 V223 | V180-I219 HydrophobicContact CG2-CD1 4.11Å; Y192-I219 HydrophobicContact CE1-CD1 4.36Å; Y192-I219 HydrophobicContact CE1-CG1 3.64Å; Y192-I219 WeakPolarHBondContact OH-CG1 3.45Å; F196-I219 HydrophobicContact CZ-CG2 4.29Å; L209-I219 HydrophobicContact CD1-CG2 4.33Å; L209-I219 HydrophobicContact CD2-CD1 4.42Å; L209-I219 HydrophobicContact CD2-CG2 3.97Å; K215-I219 VanDerWaalsContact O-CG1 3.26Å; K215-I219 WeakPolarHBondContact O-CG1 3.48Å; K215-I219 PolarHBondContact O-N 3.42Å; V216-I219 PolarHBondContact O-N 2.95Å; N217-I219 PolarHBondContact O-N 3.45Å; I219-Q222 WeakPolarHBondContact O-CB 3.44Å; I219-Q222 PolarHBondContact O-N 3.48Å; I219-V223 HydrophobicContact CG2-CG2 4.18Å; I219-V223 WeakPolarHBondContact O-CB 3.36Å; I219-V223 VanDerWaalsContact O-CG2 3.27Å; I219-V223 WeakPolarHBondContact O-CG2 3.42Å; I219-V223 PolarHBondContact O-N 3.45Å |
| 220 | V | 92.2 | Very high | 91.1 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 7% | 0.073 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63 | -44.4 | 179.6 | 166.7 | 0 | 0 | 0 | 0 | 111.2 | V216 N217 Q222 V223 I224 I250 | V216-V220 HydrophobicContact CG1-CG2 4.14Å; V216-V220 WeakPolarHBondContact O-CB 3.49Å; V216-V220 WeakPolarHBondContact O-CG2 2.97Å; V216-V220 PolarHBondContact O-N 3.33Å; N217-V220 PolarHBondContact O-N 2.73Å; V220-Q222 PolarHBondContact O-N 3.38Å; V220-V223 WeakPolarHBondContact O-CB 3.04Å; V220-V223 PolarHBondContact O-N 3.01Å; V220-I224 HydrophobicContact CG1-CD1 3.94Å; V220-I224 VanDerWaalsContact O-CG1 3.3Å; V220-I224 WeakPolarHBondContact O-CG1 3.49Å; V220-I224 PolarHBondContact O-N 2.92Å; V220-I250 HydrophobicContact CG1-CD1 4.24Å; V220-I250 HydrophobicContact CG1-CG2 3.55Å; V220-I250 HydrophobicContact CG2-CD1 4.47Å |
| 221 | D | 91.8 | Very high | 90.8 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 30% | 0.299 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.9 | -38.1 | 175.9 | -78.6 | -23 | 0 | 0 | 0 | 111.7 | N217 I224 T225 K249 | N217-D221 PolarHBondContact O-N 3.11Å; D221-I224 PolarHBondContact O-N 3.36Å; D221-T225 WeakPolarHBondContact O-CB 3.44Å; D221-T225 PolarHBondContact O-N 3.09Å; D221-T225 PolarHBondContact O-OG1 3.49Å; D221-K249 VanDerWaalsContact OD1-CD 3.26Å; D221-K249 WeakPolarHBondContact OD1-CD 3.34Å; D221-K249 WeakPolarHBondContact OD1-CE 3.49Å; D221-K249 IonicContact OD1-NZ 2.72Å; D221-K249 PolarHBondContact OD1-NZ 3.3Å; D221-K249 IonicContact OD2-NZ 2.63Å; D221-K249 PolarHBondContact OD2-NZ 3.45Å |
| 222 | Q | 90.3 | Very high | 90.6 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.9 | -42.7 | 175.3 | -70.5 | -68.3 | -26.1 | 0 | 0 | 112.4 | D189 Y192 D218 I219 V220 I224 T225 I226 | D189-Q222 PolarHBondContact OD1-NE2 3.33Å; D189-Q222 PolarHBondContact OD1-OE1 3.46Å; D189-Q222 VanDerWaalsContact OD1-OE1 3.06Å; Y192-Q222 HydrophobicContact CD2-CB 4.3Å; Y192-Q222 HydrophobicContact CD2-CG 3.64Å; Y192-Q222 HydrophobicContact CE2-CG 4.35Å; Y192-Q222 HydrophobicContact CG-CB 4.34Å; Y192-Q222 HydrophobicContact CG-CG 4.13Å; D218-Q222 VanDerWaalsContact O-CG 3.27Å; D218-Q222 WeakPolarHBondContact O-CG 3.42Å; D218-Q222 PolarHBondContact O-N 3.18Å; I219-Q222 WeakPolarHBondContact O-CB 3.44Å; I219-Q222 PolarHBondContact O-N 3.48Å; V220-Q222 PolarHBondContact O-N 3.38Å; Q222-I224 VanDerWaalsContact C-N 3.25Å; Q222-I224 PolarHBondContact O-N 3.38Å; Q222-T225 WeakPolarHBondContact O-CB 3.4Å; Q222-T225 PolarHBondContact O-N 3.41Å; Q222-T225 VanDerWaalsContact O-N 3.15Å; Q222-I226 VanDerWaalsContact O-CG1 3.29Å; Q222-I226 WeakPolarHBondContact O-CG1 3.49Å; Q222-I226 PolarHBondContact O-N 3.31Å |
| 223 | V | 92.7 | Very high | 90.9 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.03 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.9 | -38.5 | 174.4 | 165.5 | 0 | 0 | 0 | 0 | 111.7 | F196 I219 V220 I226 G227 K228 H229 Y235 | F196-V223 HydrophobicContact CE1-CG2 3.97Å; F196-V223 HydrophobicContact CE2-CG2 3.75Å; F196-V223 HydrophobicContact CZ-CG2 3.27Å; I219-V223 HydrophobicContact CG2-CG2 4.18Å; I219-V223 WeakPolarHBondContact O-CB 3.36Å; I219-V223 VanDerWaalsContact O-CG2 3.27Å; I219-V223 WeakPolarHBondContact O-CG2 3.42Å; I219-V223 PolarHBondContact O-N 3.45Å; V220-V223 WeakPolarHBondContact O-CB 3.04Å; V220-V223 PolarHBondContact O-N 3.01Å; V223-I226 WeakPolarHBondContact O-CG1 3.39Å; V223-G227 PolarHBondContact O-N 3.05Å; V223-K228 HydrophobicContact CG1-CB 4.18Å; V223-K228 PolarHBondContact O-N 3.4Å; V223-H229 HydrophobicContact CG1-CB 4.15Å; V223-Y235 HydrophobicContact CG1-CE1 4.45Å; V223-Y235 HydrophobicContact CG1-CE2 4.13Å; V223-Y235 VanDerWaalsContact CG1-OH 3.27Å; V223-Y235 WeakPolarHBondContact CG1-OH 3.33Å; V223-Y235 HydrophobicContact CG2-CE1 4.22Å |
| 224 | I | 92.6 | Very high | 91.2 | Very high | 46 Ų | 46 | 37.1 Ų | 37.1 | 24% | 0.236 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.7 | -48.9 | 175.4 | -65.8 | 161.1 | 0 | 0 | 0 | 110.2 | V220 D221 Q222 I226 G227 K249 I250 | V220-I224 HydrophobicContact CG1-CD1 3.94Å; V220-I224 VanDerWaalsContact O-CG1 3.3Å; V220-I224 WeakPolarHBondContact O-CG1 3.49Å; V220-I224 PolarHBondContact O-N 2.92Å; D221-I224 PolarHBondContact O-N 3.36Å; Q222-I224 VanDerWaalsContact C-N 3.25Å; Q222-I224 PolarHBondContact O-N 3.38Å; I224-I226 VanDerWaalsContact C-N 3.25Å; I224-I226 PolarHBondContact O-N 3.03Å; I224-G227 PolarHBondContact O-N 2.69Å; I224-K249 HydrophobicContact CD1-CB 3.45Å; I224-K249 VanDerWaalsContact CD1-CB 3.45Å; I224-K249 HydrophobicContact CD1-CD 4.25Å; I224-K249 HydrophobicContact CD1-CG 4.46Å; I224-I250 HydrophobicContact CD1-CG2 3.78Å; I224-I250 HydrophobicContact CG1-CG2 3.8Å |
| 225 | T | 91.2 | Very high | 91.6 | Very high | 83 Ų | 83 | 33.4 Ų | 33.4 | 51% | 0.509 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -56.6 | -38.3 | -179.1 | -59.1 | 0 | 0 | 0 | 0 | 112.4 | D221 Q222 | D221-T225 WeakPolarHBondContact O-CB 3.44Å; D221-T225 PolarHBondContact O-N 3.09Å; D221-T225 PolarHBondContact O-OG1 3.49Å; Q222-T225 WeakPolarHBondContact O-CB 3.4Å; Q222-T225 PolarHBondContact O-N 3.41Å; Q222-T225 VanDerWaalsContact O-N 3.15Å |
| 226 | I | 91.1 | Very high | 91.9 | Very high | 47 Ų | 47 | 31.7 Ų | 31.7 | 24% | 0.241 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -2.2 | 177.3 | 67.6 | -177.3 | 0 | 0 | 0 | 114 | R193 F196 Q222 V223 I224 K228 | R193-I226 HydrophobicContact CG-CG2 4.24Å; F196-I226 HydrophobicContact CB-CD1 3.46Å; F196-I226 VanDerWaalsContact CB-CD1 3.46Å; F196-I226 HydrophobicContact CD1-CD1 3.88Å; F196-I226 HydrophobicContact CD2-CD1 3.32Å; F196-I226 HydrophobicContact CE1-CD1 4.47Å; F196-I226 HydrophobicContact CE2-CD1 4.01Å; F196-I226 HydrophobicContact CG-CD1 3.26Å; Q222-I226 VanDerWaalsContact O-CG1 3.29Å; Q222-I226 WeakPolarHBondContact O-CG1 3.49Å; Q222-I226 PolarHBondContact O-N 3.31Å; V223-I226 WeakPolarHBondContact O-CG1 3.39Å; I224-I226 VanDerWaalsContact C-N 3.25Å; I224-I226 PolarHBondContact O-N 3.03Å; I226-K228 HydrophobicContact CD1-CB 4.13Å; I226-K228 HydrophobicContact CD1-CD 3.6Å; I226-K228 HydrophobicContact CD1-CG 3.81Å; I226-K228 HydrophobicContact CG1-CB 4.02Å; I226-K228 HydrophobicContact CG1-CD 4.2Å; I226-K228 HydrophobicContact CG1-CG 3.82Å |
| 227 | G | 90.7 | Very high | 92.1 | Very high | 32 Ų | 32 | 31.7 Ų | 31.7 | 33% | 0.33 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 26.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | V223 I224 H229 | V223-G227 PolarHBondContact O-N 3.05Å; I224-G227 PolarHBondContact O-N 2.69Å; G227-H229 VanDerWaalsContact C-N 3.34Å |
| 228 | K | 92.5 | Very high | 92.3 | Very high | 27 Ų | 27 | 30.2 Ų | 30.2 | 12% | 0.117 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 16.3 | 178.9 | -70.6 | -169.6 | -169 | -65.2 | 0 | 114.3 | F196 E200 V223 I226 Y233 Y235 | F196-K228 HydrophobicContact CB-CD 4.16Å; F196-K228 HydrophobicContact CD1-CD 3.63Å; F196-K228 HydrophobicContact CE1-CD 4.38Å; F196-K228 HydrophobicContact CG-CD 4.13Å; F196-K228 WeakPolarHBondContact O-CE 3.33Å; E200-K228 IonicContact OE2-NZ 3.83Å; E200-K228 PolarHBondContact OE2-NZ 2.95Å; V223-K228 HydrophobicContact CG1-CB 4.18Å; V223-K228 PolarHBondContact O-N 3.4Å; I226-K228 HydrophobicContact CD1-CB 4.13Å; I226-K228 HydrophobicContact CD1-CD 3.6Å; I226-K228 HydrophobicContact CD1-CG 3.81Å; I226-K228 HydrophobicContact CG1-CB 4.02Å; I226-K228 HydrophobicContact CG1-CD 4.2Å; I226-K228 HydrophobicContact CG1-CG 3.82Å; K228-Y233 HydrophobicContact CB-CE1 4.16Å; K228-Y233 HydrophobicContact CB-CE2 4.19Å; K228-Y233 HydrophobicContact CD-CE1 4.16Å; K228-Y233 HydrophobicContact CG-CE1 4.25Å; K228-Y233 HydrophobicContact CG-CE2 4.29Å; K228-Y233 PolarHBondContact NZ-OH 3.06Å; K228-Y233 WeakPolarHBondContact O-CB 3.3Å; K228-Y233 VanDerWaalsContact O-CD2 3.26Å; K228-Y233 WeakPolarHBondContact O-CD2 3.48Å; K228-Y235 WeakPolarHBondContact O-CE2 3.44Å; K228-Y235 PolarHBondContact O-OH 3.31Å |
| 229 | H | 92.6 | Very high | 92.4 | Very high | 39 Ų | 39 | 28.6 Ų | 28.6 | 18% | 0.181 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 14.3 | 175.4 | 62.7 | -67.7 | 0 | 0 | 0 | 112.9 | V223 G227 I250 G253 A255 | V223-H229 HydrophobicContact CG1-CB 4.15Å; G227-H229 VanDerWaalsContact C-N 3.34Å; H229-I250 HydrophobicContact CB-CG2 4.41Å; H229-G253 VanDerWaalsContact CD2-CA 3.4Å; H229-G253 WeakPolarHBondContact CD2-CA 3.48Å; H229-G253 CarbonylContact O-C 3.58Å; H229-G253 VanDerWaalsContact O-CA 3.23Å; H229-G253 WeakPolarHBondContact O-CA 3.45Å; H229-A255 VanDerWaalsContact O-CB 3.23Å; H229-A255 WeakPolarHBondContact O-CB 3.32Å; H229-A255 PolarHBondContact O-N 3.04Å |
| 230 | V | 91.3 | Very high | 92.5 | Very high | 68 Ų | 68 | 28.7 Ų | 28.7 | 41% | 0.412 | 16% | 0.162 | S | C | . | . | B | Isolated β-bridge | trans | -81.4 | 165.2 | -178.8 | -62.2 | 0 | 0 | 0 | 0 | 113 | G232 Y233 G253 | V230-G232 PolarHBondContact O-N 3.38Å; V230-Y233 HydrophobicContact CG2-CD2 3.87Å; V230-Y233 HydrophobicContact CG2-CE2 3.96Å; V230-Y233 PolarHBondContact O-N 3.42Å; V230-G253 WeakPolarHBondContact CA-O 3.26Å |
| 231 | K | 87.3 | Confident | 92.6 | Very high | 72 Ų | 72 | 28.1 Ų | 28.1 | 31% | 0.313 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 131.3 | 173.6 | -172.7 | -179.6 | 176.3 | -171.7 | 0 | 111.6 | G254 D494 | K231-G254 WeakPolarHBondContact CA-O 3.16Å; K231-D494 WeakPolarHBondContact CE-OD1 3.43Å; K231-D494 IonicContact NZ-OD1 3.06Å; K231-D494 PolarHBondContact NZ-OD1 2.92Å; K231-D494 IonicContact NZ-OD2 3.6Å; K231-D494 PolarHBondContact NZ-OD2 3.36Å |
| 232 | G | 87.1 | Confident | 92.7 | Very high | 24 Ų | 24 | 25.5 Ų | 25.5 | 25% | 0.247 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 109 | -21.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R205 V230 G491 | R205-G232 WeakPolarHBondContact CB-O 3.31Å; V230-G232 PolarHBondContact O-N 3.38Å; G232-G491 WeakPolarHBondContact CA-O 3.4Å |
| 233 | Y | 93.7 | Very high | 92.7 | Very high | 21 Ų | 21 | 25.8 Ų | 25.8 | 8% | 0.082 | 15% | 0.148 | C | C | . | . | trans | -86.9 | 147.8 | 169.7 | -72.1 | -87.8 | 0 | 0 | 0 | 111.8 | E200 E204 R205 K228 V230 A255 N256 | E200-Y233 PolarHBondContact OE2-OH 2.94Å; E204-Y233 WeakPolarHBondContact O-CE1 3.48Å; R205-Y233 PolarHBondContact NH1-OH 3.33Å; R205-Y233 VanDerWaalsContact NH1-OH 3.1Å; R205-Y233 CarbonylContact O-C 3.58Å; R205-Y233 WeakPolarHBondContact O-CA 3.33Å; K228-Y233 HydrophobicContact CB-CE1 4.16Å; K228-Y233 HydrophobicContact CB-CE2 4.19Å; K228-Y233 HydrophobicContact CD-CE1 4.16Å; K228-Y233 HydrophobicContact CG-CE1 4.25Å; K228-Y233 HydrophobicContact CG-CE2 4.29Å; K228-Y233 PolarHBondContact NZ-OH 3.06Å; K228-Y233 WeakPolarHBondContact O-CB 3.3Å; K228-Y233 VanDerWaalsContact O-CD2 3.26Å; K228-Y233 WeakPolarHBondContact O-CD2 3.48Å; V230-Y233 HydrophobicContact CG2-CD2 3.87Å; V230-Y233 HydrophobicContact CG2-CE2 3.96Å; V230-Y233 PolarHBondContact O-N 3.42Å; Y233-A255 VanDerWaalsContact O-CA 3.27Å; Y233-A255 WeakPolarHBondContact O-CA 3.28Å; Y233-A255 WeakPolarHBondContact O-CB 3.39Å; Y233-N256 PolarHBondContact O-N 3.42Å | ||
| 234 | H | 95.4 | Very high | 92.5 | Very high | 20 Ų | 20 | 26.6 Ų | 26.6 | 9% | 0.093 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 121 | 175.6 | -165.2 | 170 | 0 | 0 | 0 | 110.2 | Y143 W145 R205 R206 V207 N256 S258 | Y143-H234 AromaticContact CD1-CE1 3.78Å; Y143-H234 AromaticContact CD2-CE1 3.95Å; Y143-H234 AromaticContact CE1-CE1 3.63Å; Y143-H234 AromaticContact CE2-CE1 3.77Å; Y143-H234 AromaticContact CE2-NE2 3.88Å; Y143-H234 AromaticContact CG-CE1 3.95Å; Y143-H234 AromaticContact CZ-CE1 3.63Å; Y143-H234 AromaticContact CZ-NE2 3.85Å; W145-H234 HydrophobicContact CZ2-CB 3.88Å; W145-H234 AromaticContact CZ2-CD2 3.92Å; W145-H234 AromaticContact CZ2-CE1 3.83Å; W145-H234 AromaticContact CZ2-CG 3.52Å; W145-H234 AromaticContact CZ2-ND1 3.49Å; W145-H234 WeakPolarHBondContact CZ2-ND1 3.37Å; W145-H234 AromaticContact NE1-ND1 3.91Å; R205-H234 PolarHBondContact O-N 3.29Å; R206-H234 WeakPolarHBondContact CA-O 3.37Å; V207-H234 PolarHBondContact N-O 3.46Å; H234-N256 CarbonylContact C-O 3.22Å; H234-N256 VanDerWaalsContact CA-O 3.26Å; H234-N256 WeakPolarHBondContact CA-O 3.46Å; H234-N256 HydrophobicContact CB-CB 4.39Å; H234-N256 PolarHBondContact CD2-O 2.76Å; H234-N256 VanDerWaalsContact CD2-O 3.23Å; H234-S258 PolarHBondContact NE2-OG 3.25Å |
| 235 | Y | 96 | Very high | 92 | Very high | 12 Ų | 12 | 25.4 Ų | 25.4 | 5% | 0.047 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 137.6 | 179.1 | -65.4 | -86.1 | 0 | 0 | 0 | 111.4 | V207 L209 V223 K228 A255 N256 V257 S258 | V207-Y235 HydrophobicContact CB-CD1 3.75Å; V207-Y235 HydrophobicContact CB-CE1 3.78Å; V207-Y235 HydrophobicContact CG1-CD1 4.24Å; V207-Y235 HydrophobicContact CG1-CE1 4.21Å; V207-Y235 HydrophobicContact CG2-CD1 4.44Å; V207-Y235 HydrophobicContact CG2-CE1 4.01Å; V207-Y235 CarbonylContact O-C 3.13Å; V207-Y235 VanDerWaalsContact O-CA 3.29Å; V207-Y235 WeakPolarHBondContact O-CA 3.49Å; L209-Y235 HydrophobicContact CD1-CD1 4.43Å; V223-Y235 HydrophobicContact CG1-CE1 4.45Å; V223-Y235 HydrophobicContact CG1-CE2 4.13Å; V223-Y235 VanDerWaalsContact CG1-OH 3.27Å; V223-Y235 WeakPolarHBondContact CG1-OH 3.33Å; V223-Y235 HydrophobicContact CG2-CE1 4.22Å; K228-Y235 WeakPolarHBondContact O-CE2 3.44Å; K228-Y235 PolarHBondContact O-OH 3.31Å; Y235-A255 HydrophobicContact CD2-CB 4.25Å; Y235-A255 HydrophobicContact CE2-CB 4.26Å; Y235-N256 PolarHBondContact N-O 2.85Å; Y235-V257 CarbonylContact O-C 3.58Å; Y235-V257 WeakPolarHBondContact O-CA 3.35Å; Y235-S258 PolarHBondContact O-N 3.25Å |
| 236 | I | 97 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 121.3 | 169 | -64.6 | 175.2 | 0 | 0 | 0 | 108.4 | L136 L139 Y143 W145 V207 I208 L209 S258 F260 | L136-I236 HydrophobicContact CD1-CG2 3.98Å; L139-I236 HydrophobicContact CD2-CD1 4.14Å; L139-I236 HydrophobicContact CD2-CG1 4.43Å; L139-I236 HydrophobicContact CD2-CG2 3.97Å; L139-I236 HydrophobicContact CG-CD1 4.37Å; Y143-I236 HydrophobicContact CD2-CD1 4.17Å; Y143-I236 HydrophobicContact CE2-CD1 4.41Å; W145-I236 HydrophobicContact CE3-CD1 4.2Å; W145-I236 HydrophobicContact CH2-CD1 3.43Å; W145-I236 VanDerWaalsContact CH2-CD1 3.43Å; W145-I236 HydrophobicContact CH2-CG1 3.63Å; W145-I236 HydrophobicContact CZ2-CD1 3.85Å; W145-I236 HydrophobicContact CZ2-CG1 4.17Å; W145-I236 HydrophobicContact CZ3-CD1 3.62Å; W145-I236 HydrophobicContact CZ3-CG1 4.19Å; V207-I236 PolarHBondContact O-N 3.04Å; I208-I236 CarbonylContact C-O 3.54Å; I208-I236 WeakPolarHBondContact CA-O 3.13Å; I208-I236 HydrophobicContact CG1-CB 4.31Å; I208-I236 HydrophobicContact CG2-CG2 4.49Å; L209-I236 PolarHBondContact N-O 3.09Å; I236-S258 CarbonylContact C-O 3.56Å; I236-S258 WeakPolarHBondContact CA-O 3.13Å; I236-F260 HydrophobicContact CG2-CE2 4.16Å |
| 237 | I | 96 | Very high | 91.6 | Very high | 6 Ų | 6 | 22.9 Ų | 22.9 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 110.1 | 175.9 | -53.8 | -179.4 | 0 | 0 | 0 | 108.3 | V216 N239 F242 L247 V257 S258 G259 F260 | V216-I237 HydrophobicContact CG1-CD1 4.15Å; V216-I237 HydrophobicContact CG1-CG2 4.28Å; V216-I237 HydrophobicContact CG2-CG2 4.26Å; I237-N239 VanDerWaalsContact C-N 3.27Å; I237-N239 HydrophobicContact CG2-CB 4.46Å; I237-N239 WeakPolarHBondContact CG2-OD1 3.47Å; I237-N239 PolarHBondContact O-N 3Å; I237-N239 VanDerWaalsContact O-N 3.14Å; I237-F242 HydrophobicContact CB-CD2 4.26Å; I237-F242 HydrophobicContact CD1-CD2 4.04Å; I237-F242 HydrophobicContact CD1-CE2 3.87Å; I237-F242 HydrophobicContact CG1-CD2 4.47Å; I237-F242 HydrophobicContact CG1-CE2 4.34Å; I237-L247 HydrophobicContact CD1-CD2 4.19Å; I237-V257 HydrophobicContact CD1-CG1 4.05Å; I237-V257 HydrophobicContact CG1-CG1 4.28Å; I237-S258 PolarHBondContact N-O 3.25Å; I237-G259 WeakPolarHBondContact O-CA 3.2Å; I237-F260 WeakPolarHBondContact O-CD2 3.36Å |
| 238 | A | 94.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | trans | -88.7 | 56.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L132 L136 R156 I208 L209 D210 | L132-A238 VanDerWaalsContact CD2-C 3.4Å; L132-A238 HydrophobicContact CD2-CB 4.28Å; L132-A238 WeakPolarHBondContact CD2-O 3.29Å; L136-A238 HydrophobicContact CD1-CB 4.31Å; L136-A238 HydrophobicContact CD2-CB 4.24Å; R156-A238 PolarHBondContact NH1-O 3.28Å; I208-A238 HydrophobicContact CG2-CB 4.2Å; L209-A238 PolarHBondContact O-N 3.29Å; D210-A238 HydrophobicContact CB-CB 4.06Å | ||
| 239 | N | 92.8 | Very high | 91.3 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 4% | 0.043 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -127.6 | 168.5 | 170.1 | 69.3 | 9.6 | 0 | 0 | 0 | 110.1 | I237 G241 F242 F260 | I237-N239 VanDerWaalsContact C-N 3.27Å; I237-N239 HydrophobicContact CG2-CB 4.46Å; I237-N239 WeakPolarHBondContact CG2-OD1 3.47Å; I237-N239 PolarHBondContact O-N 3Å; I237-N239 VanDerWaalsContact O-N 3.14Å; N239-G241 VanDerWaalsContact C-N 3.32Å; N239-G241 PolarHBondContact ND2-O 2.91Å; N239-G241 PolarHBondContact OD1-N 3.46Å; N239-G241 PolarHBondContact OD1-O 3.49Å; N239-F242 PolarHBondContact OD1-N 2.86Å; N239-F260 WeakPolarHBondContact O-CB 3.2Å |
| 240 | L | 94.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -88.9 | 0.5 | 178.3 | -67.9 | 173.5 | 0 | 0 | 0 | 113.5 | R129 L132 F260 Q261 I262 Y295 I373 | R129-L240 HydrophobicContact CG-CD1 3.52Å; L132-L240 HydrophobicContact CD1-CD2 3.91Å; L240-F260 CarbonylContact C-O 3.46Å; L240-Q261 WeakPolarHBondContact O-CA 3.28Å; L240-I262 HydrophobicContact CB-CB 4.2Å; L240-I262 HydrophobicContact CB-CG2 3.97Å; L240-I262 HydrophobicContact CD2-CB 4.43Å; L240-I262 PolarHBondContact O-N 2.93Å; L240-Y295 HydrophobicContact CB-CD2 3.77Å; L240-Y295 HydrophobicContact CB-CE2 4.13Å; L240-Y295 HydrophobicContact CB-CG 3.98Å; L240-Y295 HydrophobicContact CD1-CD2 4.23Å; L240-Y295 HydrophobicContact CD1-CE2 4.31Å; L240-I373 HydrophobicContact CD2-CD1 3.94Å; L240-I373 HydrophobicContact CD2-CG1 4.32Å |
| 241 | G | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -127.8 | 69.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | N239 T243 D244 F260 | N239-G241 VanDerWaalsContact C-N 3.32Å; N239-G241 PolarHBondContact ND2-O 2.91Å; N239-G241 PolarHBondContact OD1-N 3.46Å; N239-G241 PolarHBondContact OD1-O 3.49Å; G241-T243 VanDerWaalsContact C-N 3.3Å; G241-T243 PolarHBondContact O-N 2.95Å; G241-D244 WeakPolarHBondContact O-CB 3.47Å; G241-D244 PolarHBondContact O-N 2.99Å; G241-F260 PolarHBondContact N-O 2.88Å |
| 242 | F | 93.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -58.3 | -43.7 | 179 | -179.6 | -116.9 | 0 | 0 | 0 | 111.9 | I237 N239 D244 L247 V257 F260 M376 L378 P383 | I237-F242 HydrophobicContact CB-CD2 4.26Å; I237-F242 HydrophobicContact CD1-CD2 4.04Å; I237-F242 HydrophobicContact CD1-CE2 3.87Å; I237-F242 HydrophobicContact CG1-CD2 4.47Å; I237-F242 HydrophobicContact CG1-CE2 4.34Å; N239-F242 PolarHBondContact OD1-N 2.86Å; F242-D244 VanDerWaalsContact C-N 3.27Å; F242-D244 PolarHBondContact O-N 3.35Å; F242-L247 HydrophobicContact CD1-CD1 3.85Å; F242-L247 HydrophobicContact CE1-CD1 3.6Å; F242-L247 HydrophobicContact CE2-CD1 4.41Å; F242-L247 HydrophobicContact CE2-CD2 4.2Å; F242-L247 HydrophobicContact CG-CD1 4.39Å; F242-L247 HydrophobicContact CZ-CD1 3.92Å; F242-L247 HydrophobicContact CZ-CD2 4.27Å; F242-V257 HydrophobicContact CE2-CG1 3.93Å; F242-V257 HydrophobicContact CZ-CG1 4.18Å; F242-F260 WeakPolarHBondContact CB-O 3.49Å; F242-F260 PolarHBondContact N-O 3.32Å; F242-M376 HydrophobicContact CB-CB 4.48Å; F242-M376 HydrophobicContact CD1-CB 3.43Å; F242-M376 VanDerWaalsContact CD1-CB 3.43Å; F242-M376 HydrophobicContact CD1-CG 4.22Å; F242-M376 HydrophobicContact CE1-CB 3.86Å; F242-M376 HydrophobicContact CG-CB 4.12Å; F242-L378 HydrophobicContact CE1-CB 4.5Å; F242-L378 HydrophobicContact CZ-CB 4.1Å; F242-P383 HydrophobicContact CD1-CB 4.33Å; F242-P383 HydrophobicContact CE1-CB 4.09Å |
| 243 | T | 91.9 | Very high | 91.2 | Very high | 27 Ų | 27 | 31.3 Ų | 31.3 | 17% | 0.166 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -84 | 1.5 | -178.5 | 60.1 | 0 | 0 | 0 | 0 | 113.8 | G241 G245 Q261 P383 | G241-T243 VanDerWaalsContact C-N 3.3Å; G241-T243 PolarHBondContact O-N 2.95Å; T243-G245 VanDerWaalsContact C-N 3.33Å; T243-Q261 PolarHBondContact OG1-NE2 3.31Å; T243-Q261 PolarHBondContact OG1-OE1 2.98Å; T243-P383 HydrophobicContact CG2-CB 3.91Å; T243-P383 HydrophobicContact CG2-CG 3.79Å |
| 244 | D | 88.2 | Confident | 90.8 | Very high | 23 Ų | 23 | 32.2 Ų | 32.2 | 12% | 0.123 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -77.6 | -23.8 | -178.9 | -62.2 | 6.7 | 0 | 0 | 0 | 111.7 | R213 G241 F242 K294 Y295 | R213-D244 WeakPolarHBondContact CD-O 3.18Å; G241-D244 WeakPolarHBondContact O-CB 3.47Å; G241-D244 PolarHBondContact O-N 2.99Å; F242-D244 VanDerWaalsContact C-N 3.27Å; F242-D244 PolarHBondContact O-N 3.35Å; D244-K294 WeakPolarHBondContact OD2-CA 3.26Å; D244-Y295 WeakPolarHBondContact OD2-CD1 3.43Å; D244-Y295 PolarHBondContact OD2-N 3.43Å |
| 245 | G | 82.6 | Confident | 90.7 | Very high | 21 Ų | 21 | 31.9 Ų | 31.9 | 22% | 0.216 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -90.4 | 173.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T243 L247 | T243-G245 VanDerWaalsContact C-N 3.33Å; G245-L247 PolarHBondContact O-N 2.02Å; G245-L247 VanDerWaalsContact O-N 3.12Å |
| 246 | D | 85.8 | Confident | 90.5 | Very high | 60 Ų | 60 | 35 Ų | 35 | 32% | 0.321 | 20% | 0.196 | S | C | . | . | trans | -83.3 | 89 | 177.4 | -172.1 | -2.8 | 0 | 0 | 0 | 111.2 | N217 L248 K249 | N217-D246 PolarHBondContact OD1-N 3.35Å; D246-L248 PolarHBondContact OD1-N 3.29Å; D246-K249 WeakPolarHBondContact OD2-CD 3.44Å; D246-K249 WeakPolarHBondContact OD2-CE 3.29Å; D246-K249 WeakPolarHBondContact OD2-CG 3.22Å; D246-K249 IonicContact OD2-NZ 2.72Å | ||
| 247 | L | 87.8 | Confident | 90.4 | Very high | 17 Ų | 17 | 35 Ų | 35 | 9% | 0.089 | 20% | 0.196 | C | C | . | . | trans | -80.3 | -16.9 | 178.8 | -61.5 | -179.6 | 0 | 0 | 0 | 113.4 | I237 F242 G245 K249 I250 Q251 L378 | I237-L247 HydrophobicContact CD1-CD2 4.19Å; F242-L247 HydrophobicContact CD1-CD1 3.85Å; F242-L247 HydrophobicContact CE1-CD1 3.6Å; F242-L247 HydrophobicContact CE2-CD1 4.41Å; F242-L247 HydrophobicContact CE2-CD2 4.2Å; F242-L247 HydrophobicContact CG-CD1 4.39Å; F242-L247 HydrophobicContact CZ-CD1 3.92Å; F242-L247 HydrophobicContact CZ-CD2 4.27Å; G245-L247 PolarHBondContact O-N 2.02Å; G245-L247 VanDerWaalsContact O-N 3.12Å; L247-K249 VanDerWaalsContact C-N 3.25Å; L247-K249 PolarHBondContact O-N 3.46Å; L247-I250 HydrophobicContact CD2-CD1 4.36Å; L247-I250 WeakPolarHBondContact O-CG1 3.39Å; L247-I250 PolarHBondContact O-N 3.46Å; L247-Q251 PolarHBondContact O-N 2.92Å; L247-L378 HydrophobicContact CB-CD1 4.11Å; L247-L378 HydrophobicContact CB-CD2 4.23Å; L247-L378 HydrophobicContact CD1-CD1 4.34Å | ||
| 248 | L | 88.8 | Confident | 90.4 | Very high | 121 Ų | 121 | 34.7 Ų | 34.7 | 63% | 0.634 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -35.9 | -174.6 | -68.1 | 169.7 | 0 | 0 | 0 | 111.2 | D246 I250 Q251 | D246-L248 PolarHBondContact OD1-N 3.29Å; L248-I250 VanDerWaalsContact C-N 3.26Å; L248-I250 PolarHBondContact O-N 3.47Å; L248-Q251 PolarHBondContact O-N 3.44Å |
| 249 | K | 88.4 | Confident | 90.4 | Very high | 96 Ų | 96 | 34.7 Ų | 34.7 | 42% | 0.417 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -28.3 | -178.7 | -60.5 | 179.2 | 172.1 | 167.8 | 0 | 113.9 | D221 I224 D246 L247 | D221-K249 VanDerWaalsContact OD1-CD 3.26Å; D221-K249 WeakPolarHBondContact OD1-CD 3.34Å; D221-K249 WeakPolarHBondContact OD1-CE 3.49Å; D221-K249 IonicContact OD1-NZ 2.72Å; D221-K249 PolarHBondContact OD1-NZ 3.3Å; D221-K249 IonicContact OD2-NZ 2.63Å; D221-K249 PolarHBondContact OD2-NZ 3.45Å; I224-K249 HydrophobicContact CD1-CB 3.45Å; I224-K249 VanDerWaalsContact CD1-CB 3.45Å; I224-K249 HydrophobicContact CD1-CD 4.25Å; I224-K249 HydrophobicContact CD1-CG 4.46Å; D246-K249 WeakPolarHBondContact OD2-CD 3.44Å; D246-K249 WeakPolarHBondContact OD2-CE 3.29Å; D246-K249 WeakPolarHBondContact OD2-CG 3.22Å; D246-K249 IonicContact OD2-NZ 2.72Å; L247-K249 VanDerWaalsContact C-N 3.25Å; L247-K249 PolarHBondContact O-N 3.46Å |
| 250 | I | 90.5 | Very high | 90.6 | Very high | 13 Ų | 13 | 34.3 Ų | 34.3 | 7% | 0.067 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -7.7 | -178.3 | 56.4 | -175.4 | 0 | 0 | 0 | 113.8 | V220 I224 H229 L247 L248 F252 G253 V257 L378 | V220-I250 HydrophobicContact CG1-CD1 4.24Å; V220-I250 HydrophobicContact CG1-CG2 3.55Å; V220-I250 HydrophobicContact CG2-CD1 4.47Å; I224-I250 HydrophobicContact CD1-CG2 3.78Å; I224-I250 HydrophobicContact CG1-CG2 3.8Å; H229-I250 HydrophobicContact CB-CG2 4.41Å; L247-I250 HydrophobicContact CD2-CD1 4.36Å; L247-I250 WeakPolarHBondContact O-CG1 3.39Å; L247-I250 PolarHBondContact O-N 3.46Å; L248-I250 VanDerWaalsContact C-N 3.26Å; L248-I250 PolarHBondContact O-N 3.47Å; I250-F252 VanDerWaalsContact C-N 3.25Å; I250-F252 PolarHBondContact O-N 3.46Å; I250-G253 PolarHBondContact O-N 3.18Å; I250-V257 HydrophobicContact CD1-CB 4.48Å; I250-V257 HydrophobicContact CD1-CG1 4.1Å; I250-V257 HydrophobicContact CD1-CG2 3.85Å; I250-V257 HydrophobicContact CG1-CG2 4.37Å; I250-L378 HydrophobicContact CD1-CD2 4.38Å; I250-L378 HydrophobicContact CG1-CD2 3.8Å |
| 251 | Q | 89.1 | Confident | 90.6 | Very high | 32 Ų | 32 | 34.4 Ų | 34.4 | 15% | 0.15 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -33.4 | -176 | -177.3 | 170.8 | -17.6 | 0 | 0 | 114 | L247 L248 L378 T380 | L247-Q251 PolarHBondContact O-N 2.92Å; L248-Q251 PolarHBondContact O-N 3.44Å; Q251-L378 HydrophobicContact CB-CD1 4.49Å; Q251-L378 HydrophobicContact CB-CD2 4.29Å; Q251-L378 HydrophobicContact CG-CD1 4.38Å; Q251-T380 PolarHBondContact NE2-O 2.8Å |
| 252 | F | 88.6 | Confident | 90.7 | Very high | 155 Ų | 155 | 34.7 Ų | 34.7 | 68% | 0.68 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 5.1 | -177 | -55.7 | -74 | 0 | 0 | 0 | 114 | I250 T380 | I250-F252 VanDerWaalsContact C-N 3.25Å; I250-F252 PolarHBondContact O-N 3.46Å; F252-T380 HydrophobicContact CD1-CG2 4.27Å; F252-T380 HydrophobicContact CE1-CG2 3.99Å |
| 253 | G | 86.2 | Confident | 90.8 | Very high | 21 Ų | 21 | 34.7 Ų | 34.7 | 22% | 0.216 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -37 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | H229 V230 I250 | H229-G253 VanDerWaalsContact CD2-CA 3.4Å; H229-G253 WeakPolarHBondContact CD2-CA 3.48Å; H229-G253 CarbonylContact O-C 3.58Å; H229-G253 VanDerWaalsContact O-CA 3.23Å; H229-G253 WeakPolarHBondContact O-CA 3.45Å; V230-G253 WeakPolarHBondContact CA-O 3.26Å; I250-G253 PolarHBondContact O-N 3.18Å |
| 254 | G | 86.6 | Confident | 90.9 | Very high | 41 Ų | 41 | 35.3 Ų | 35.3 | 42% | 0.423 | 20% | 0.196 | S | C | . | . | B | Isolated β-bridge | trans | 98.6 | -7.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | K231 | K231-G254 WeakPolarHBondContact CA-O 3.16Å |
| 255 | A | 92.1 | Very high | 91 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 10% | 0.099 | 20% | 0.202 | C | C | . | . | trans | -68.8 | 143.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | H229 Y233 Y235 | H229-A255 VanDerWaalsContact O-CB 3.23Å; H229-A255 WeakPolarHBondContact O-CB 3.32Å; H229-A255 PolarHBondContact O-N 3.04Å; Y233-A255 VanDerWaalsContact O-CA 3.27Å; Y233-A255 WeakPolarHBondContact O-CA 3.28Å; Y233-A255 WeakPolarHBondContact O-CB 3.39Å; Y235-A255 HydrophobicContact CD2-CB 4.25Å; Y235-A255 HydrophobicContact CE2-CB 4.26Å | ||
| 256 | N | 92.5 | Very high | 91.4 | Very high | 77 Ų | 77 | 42.9 Ų | 42.9 | 41% | 0.412 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 133.7 | 172.9 | -67.8 | -14.9 | 0 | 0 | 0 | 108.9 | Y233 H234 Y235 | Y233-N256 PolarHBondContact O-N 3.42Å; H234-N256 CarbonylContact C-O 3.22Å; H234-N256 VanDerWaalsContact CA-O 3.26Å; H234-N256 WeakPolarHBondContact CA-O 3.46Å; H234-N256 HydrophobicContact CB-CB 4.39Å; H234-N256 PolarHBondContact CD2-O 2.76Å; H234-N256 VanDerWaalsContact CD2-O 3.23Å; Y235-N256 PolarHBondContact N-O 2.85Å |
| 257 | V | 95 | Very high | 91.7 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 124 | 178.2 | -170.2 | 0 | 0 | 0 | 0 | 108.1 | Y235 I237 F242 I250 E377 L378 | Y235-V257 CarbonylContact O-C 3.58Å; Y235-V257 WeakPolarHBondContact O-CA 3.35Å; I237-V257 HydrophobicContact CD1-CG1 4.05Å; I237-V257 HydrophobicContact CG1-CG1 4.28Å; F242-V257 HydrophobicContact CE2-CG1 3.93Å; F242-V257 HydrophobicContact CZ-CG1 4.18Å; I250-V257 HydrophobicContact CD1-CB 4.48Å; I250-V257 HydrophobicContact CD1-CG1 4.1Å; I250-V257 HydrophobicContact CD1-CG2 3.85Å; I250-V257 HydrophobicContact CG1-CG2 4.37Å; V257-E377 WeakPolarHBondContact O-CA 3.34Å; V257-L378 HydrophobicContact CB-CB 3.99Å; V257-L378 HydrophobicContact CB-CD2 4.22Å; V257-L378 HydrophobicContact CG2-CD2 4.28Å; V257-L378 PolarHBondContact O-N 2.86Å |
| 258 | S | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 157.6 | 179 | -47.1 | 0 | 0 | 0 | 0 | 110.3 | Y143 H234 Y235 I236 I237 M376 | Y143-S258 PolarHBondContact OH-OG 3.45Å; H234-S258 PolarHBondContact NE2-OG 3.25Å; Y235-S258 PolarHBondContact O-N 3.25Å; I236-S258 CarbonylContact C-O 3.56Å; I236-S258 WeakPolarHBondContact CA-O 3.13Å; I237-S258 PolarHBondContact N-O 3.25Å; S258-M376 CarbonylContact C-O 3.58Å; S258-M376 VanDerWaalsContact CA-O 3.3Å; S258-M376 WeakPolarHBondContact CA-O 3.45Å |
| 259 | G | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.2 | -167.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | I237 M376 | I237-G259 WeakPolarHBondContact O-CA 3.2Å; G259-M376 PolarHBondContact N-O 3.33Å; G259-M376 PolarHBondContact O-N 3.1Å |
| 260 | F | 96.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 140.9 | -173.5 | -47.4 | -87.5 | 0 | 0 | 0 | 110.8 | L132 A135 L136 L139 I236 I237 N239 L240 G241 F242 I373 N374 I375 | L132-F260 HydrophobicContact CD1-CB 4.09Å; L132-F260 HydrophobicContact CD1-CD1 4.24Å; L132-F260 HydrophobicContact CD1-CD2 3.75Å; L132-F260 HydrophobicContact CD1-CE2 4.23Å; L132-F260 HydrophobicContact CD1-CG 3.75Å; L132-F260 HydrophobicContact CD2-CD2 4.41Å; A135-F260 HydrophobicContact CB-CD1 4.21Å; A135-F260 HydrophobicContact CB-CE1 4.03Å; L136-F260 HydrophobicContact CB-CZ 4.28Å; L136-F260 HydrophobicContact CD1-CE2 3.98Å; L136-F260 HydrophobicContact CD1-CZ 3.99Å; L139-F260 HydrophobicContact CB-CE1 4.12Å; L139-F260 HydrophobicContact CB-CZ 4.01Å; L139-F260 HydrophobicContact CD2-CE1 3.72Å; L139-F260 HydrophobicContact CD2-CE2 4.2Å; L139-F260 HydrophobicContact CD2-CZ 3.38Å; L139-F260 HydrophobicContact CG-CE1 4.49Å; L139-F260 HydrophobicContact CG-CZ 4.32Å; I236-F260 HydrophobicContact CG2-CE2 4.16Å; I237-F260 WeakPolarHBondContact O-CD2 3.36Å; N239-F260 WeakPolarHBondContact O-CB 3.2Å; L240-F260 CarbonylContact C-O 3.46Å; G241-F260 PolarHBondContact N-O 2.88Å; F242-F260 WeakPolarHBondContact CB-O 3.49Å; F242-F260 PolarHBondContact N-O 3.32Å; F260-I373 HydrophobicContact CB-CG2 3.66Å; F260-I373 HydrophobicContact CD1-CG2 3.93Å; F260-I373 HydrophobicContact CG-CG2 4.22Å; F260-N374 WeakPolarHBondContact CA-O 3.45Å; F260-I375 HydrophobicContact CD1-CG1 4.41Å; F260-I375 HydrophobicContact CE1-CG1 4.46Å |
| 261 | Q | 94.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 123.3 | 179.3 | -169.5 | 70.1 | 18.7 | 0 | 0 | 109 | L240 T243 V263 N374 M376 | L240-Q261 WeakPolarHBondContact O-CA 3.28Å; T243-Q261 PolarHBondContact OG1-NE2 3.31Å; T243-Q261 PolarHBondContact OG1-OE1 2.98Å; Q261-V263 WeakPolarHBondContact CG-O 3.47Å; Q261-V263 PolarHBondContact NE2-O 3.09Å; Q261-N374 HydrophobicContact CB-CB 4.38Å; Q261-N374 PolarHBondContact N-O 3.47Å; Q261-N374 WeakPolarHBondContact O-CB 3.5Å; Q261-N374 PolarHBondContact O-N 2.92Å; Q261-M376 HydrophobicContact CB-CG 3.55Å; Q261-M376 HydrophobicContact CB-SD 4.34Å |
| 262 | I | 95.6 | Very high | 92.8 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -91.4 | -31.3 | 175.1 | -169.5 | 59.2 | 0 | 0 | 0 | 112.7 | P130 L240 T372 I373 | P130-I262 HydrophobicContact CG-CD1 4.14Å; L240-I262 HydrophobicContact CB-CB 4.2Å; L240-I262 HydrophobicContact CB-CG2 3.97Å; L240-I262 HydrophobicContact CD2-CB 4.43Å; L240-I262 PolarHBondContact O-N 2.93Å; I262-T372 WeakPolarHBondContact CD1-O 3.46Å; I262-I373 HydrophobicContact CD1-CG1 4.34Å |
| 263 | V | 95.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -90.9 | 111.8 | 178.8 | -177 | 0 | 0 | 0 | 0 | 108.8 | Q261 V270 I293 A298 | Q261-V263 WeakPolarHBondContact CG-O 3.47Å; Q261-V263 PolarHBondContact NE2-O 3.09Å; V263-V270 HydrophobicContact CG1-CG1 3.77Å; V263-V270 HydrophobicContact CG1-CG2 4.37Å; V263-I293 HydrophobicContact CG1-CG2 4.45Å; V263-A298 HydrophobicContact CG2-CB 3.53Å |
| 264 | D | 93.3 | Very high | 93.5 | Very high | 40 Ų | 40 | 40.1 Ų | 40.1 | 21% | 0.214 | 23% | 0.225 | C | C | . | . | trans | -88.6 | 108.3 | 176.8 | -157.5 | -26.5 | 0 | 0 | 0 | 110.2 | D266 D267 V270 N374 K385 | D264-D266 PolarHBondContact O-N 2.91Å; D264-D266 PolarHBondContact OD1-N 3.15Å; D264-D267 PolarHBondContact O-N 2.84Å; D264-V270 VanDerWaalsContact O-CB 3.3Å; D264-V270 WeakPolarHBondContact O-CB 3.25Å; D264-V270 VanDerWaalsContact O-CG2 3.32Å; D264-V270 WeakPolarHBondContact O-CG2 3.34Å; D264-N374 VanDerWaalsContact CG-ND2 3.3Å; D264-N374 PolarHBondContact OD2-ND2 2.97Å; D264-K385 IonicContact OD2-NZ 3.01Å; D264-K385 PolarHBondContact OD2-NZ 2.84Å | ||
| 265 | Y | 91.7 | Very high | 93.8 | Very high | 61 Ų | 61 | 44.8 Ų | 44.8 | 24% | 0.239 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -14.2 | -178.6 | -69.3 | -81.2 | 0 | 0 | 0 | 113.3 | D267 V270 I274 T292 I293 | Y265-D267 VanDerWaalsContact C-N 3.33Å; Y265-V270 HydrophobicContact CD1-CG1 4.15Å; Y265-I274 HydrophobicContact CD1-CD1 4.34Å; Y265-I274 HydrophobicContact CD1-CG1 4.09Å; Y265-I274 HydrophobicContact CE1-CD1 3.89Å; Y265-I274 HydrophobicContact CE1-CG1 4.15Å; Y265-T292 HydrophobicContact CE1-CG2 4.42Å; Y265-T292 WeakPolarHBondContact OH-CA 3.34Å; Y265-T292 WeakPolarHBondContact OH-CB 3.45Å; Y265-I293 PolarHBondContact OH-N 3.32Å; Y265-I293 PolarHBondContact OH-O 2.78Å |
| 266 | D | 89.6 | Confident | 93.9 | Very high | 143 Ų | 143 | 48.9 Ų | 48.9 | 77% | 0.765 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -14.4 | 176.2 | -63.4 | -31 | 0 | 0 | 0 | 112.1 | D264 | D264-D266 PolarHBondContact O-N 2.91Å; D264-D266 PolarHBondContact OD1-N 3.15Å |
| 267 | D | 92.2 | Very high | 94 | Very high | 61 Ų | 61 | 45.3 Ų | 45.3 | 33% | 0.326 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -70.7 | 136.1 | 176.9 | -174.7 | 13 | 0 | 0 | 0 | 111.4 | D264 Y265 L269 V270 S271 | D264-D267 PolarHBondContact O-N 2.84Å; Y265-D267 VanDerWaalsContact C-N 3.33Å; D267-L269 VanDerWaalsContact C-N 3.25Å; D267-L269 PolarHBondContact O-N 2.59Å; D267-L269 PolarHBondContact OD1-N 3.27Å; D267-V270 HydrophobicContact CB-CB 4.39Å; D267-V270 HydrophobicContact CB-CG2 4.12Å; D267-V270 PolarHBondContact O-N 3.03Å; D267-V270 VanDerWaalsContact O-N 3.15Å; D267-S271 WeakPolarHBondContact O-CB 3.44Å; D267-S271 PolarHBondContact O-N 3.08Å |
| 268 | S | 93.8 | Very high | 93.9 | Very high | 80 Ų | 80 | 47.1 Ų | 47.1 | 56% | 0.559 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -58.3 | -34 | -179.9 | 67.6 | 0 | 0 | 0 | 0 | 113.6 | K272 | S268-K272 WeakPolarHBondContact O-CG 3.47Å; S268-K272 PolarHBondContact O-N 2.94Å |
| 269 | L | 94 | Very high | 93.8 | Very high | 59 Ų | 59 | 52.1 Ų | 52.1 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.6 | -46.6 | 177.4 | -172.1 | 159 | 0 | 0 | 0 | 110.2 | D267 K272 F273 L356 | D267-L269 VanDerWaalsContact C-N 3.25Å; D267-L269 PolarHBondContact O-N 2.59Å; D267-L269 PolarHBondContact OD1-N 3.27Å; L269-K272 PolarHBondContact O-N 3.14Å; L269-F273 PolarHBondContact O-N 3.24Å; L269-L356 HydrophobicContact CD2-CD2 3.71Å |
| 270 | V | 94.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 178.2 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | V263 D264 Y265 D267 K272 F273 I274 L356 | V263-V270 HydrophobicContact CG1-CG1 3.77Å; V263-V270 HydrophobicContact CG1-CG2 4.37Å; D264-V270 VanDerWaalsContact O-CB 3.3Å; D264-V270 WeakPolarHBondContact O-CB 3.25Å; D264-V270 VanDerWaalsContact O-CG2 3.32Å; D264-V270 WeakPolarHBondContact O-CG2 3.34Å; Y265-V270 HydrophobicContact CD1-CG1 4.15Å; D267-V270 HydrophobicContact CB-CB 4.39Å; D267-V270 HydrophobicContact CB-CG2 4.12Å; D267-V270 PolarHBondContact O-N 3.03Å; D267-V270 VanDerWaalsContact O-N 3.15Å; V270-K272 PolarHBondContact O-N 3.5Å; V270-F273 CarbonylContact O-C 3.51Å; V270-F273 WeakPolarHBondContact O-CA 3.47Å; V270-F273 WeakPolarHBondContact O-CB 3.19Å; V270-F273 PolarHBondContact O-N 3.37Å; V270-F273 VanDerWaalsContact O-N 3.07Å; V270-I274 HydrophobicContact CG1-CG1 4.17Å; V270-I274 WeakPolarHBondContact O-CG1 3.35Å; V270-I274 PolarHBondContact O-N 3.26Å; V270-L356 HydrophobicContact CB-CD2 4.42Å; V270-L356 HydrophobicContact CG2-CD2 3.94Å |
| 271 | S | 93.2 | Very high | 93.5 | Very high | 69 Ų | 69 | 59 Ų | 59 | 48% | 0.483 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.8 | -46 | 177.6 | -174.1 | 0 | 0 | 0 | 0 | 112.4 | D267 F273 I274 E275 | D267-S271 WeakPolarHBondContact O-CB 3.44Å; D267-S271 PolarHBondContact O-N 3.08Å; S271-F273 VanDerWaalsContact C-N 3.33Å; S271-F273 PolarHBondContact O-N 3.25Å; S271-I274 PolarHBondContact O-N 3.09Å; S271-E275 PolarHBondContact O-N 3.41Å |
| 272 | K | 94.1 | Very high | 93.3 | Very high | 151 Ų | 151 | 64.7 Ų | 64.7 | 66% | 0.657 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.6 | -39.1 | 173.6 | -73.9 | 175.3 | -177.7 | 174.6 | 0 | 112.7 | S268 L269 V270 R276 | S268-K272 WeakPolarHBondContact O-CG 3.47Å; S268-K272 PolarHBondContact O-N 2.94Å; L269-K272 PolarHBondContact O-N 3.14Å; V270-K272 PolarHBondContact O-N 3.5Å; K272-R276 PolarHBondContact O-N 2.99Å |
| 273 | F | 95.1 | Very high | 93 | Very high | 12 Ų | 12 | 73.4 Ų | 73.4 | 5% | 0.053 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 175.4 | 176.1 | -89.3 | 0 | 0 | 0 | 111 | V46 L269 V270 S271 R276 W277 I293 Y301 L356 | V46-F273 HydrophobicContact CG1-CE2 4.19Å; L269-F273 PolarHBondContact O-N 3.24Å; V270-F273 CarbonylContact O-C 3.51Å; V270-F273 WeakPolarHBondContact O-CA 3.47Å; V270-F273 WeakPolarHBondContact O-CB 3.19Å; V270-F273 PolarHBondContact O-N 3.37Å; V270-F273 VanDerWaalsContact O-N 3.07Å; S271-F273 VanDerWaalsContact C-N 3.33Å; S271-F273 PolarHBondContact O-N 3.25Å; F273-R276 PolarHBondContact O-N 2.8Å; F273-W277 HydrophobicContact CD1-CB 4.27Å; F273-W277 HydrophobicContact CE1-CB 3.94Å; F273-W277 HydrophobicContact CE1-CD2 4.09Å; F273-W277 HydrophobicContact CE1-CE3 4.07Å; F273-W277 HydrophobicContact CE1-CG 4.05Å; F273-W277 HydrophobicContact CE2-CE3 4.49Å; F273-W277 HydrophobicContact CZ-CB 4.39Å; F273-W277 HydrophobicContact CZ-CD2 4.12Å; F273-W277 AromaticContact CZ-CE3 3.61Å; F273-W277 HydrophobicContact CZ-CE3 3.61Å; F273-W277 HydrophobicContact CZ-CG 4.46Å; F273-W277 HydrophobicContact CZ-CZ3 4.25Å; F273-W277 WeakPolarHBondContact O-CB 2.87Å; F273-W277 PolarHBondContact O-N 2.88Å; F273-I293 HydrophobicContact CE1-CD1 3.49Å; F273-I293 VanDerWaalsContact CE1-CD1 3.49Å; F273-I293 HydrophobicContact CE1-CG2 4.48Å; F273-I293 HydrophobicContact CZ-CD1 3.69Å; F273-Y301 HydrophobicContact CD2-CD2 4.36Å; F273-Y301 HydrophobicContact CD2-CE1 4.2Å; F273-Y301 AromaticContact CD2-CE2 3.9Å; F273-Y301 HydrophobicContact CD2-CE2 3.9Å; F273-Y301 AromaticContact CD2-CZ 3.78Å; F273-Y301 HydrophobicContact CE2-CD1 4.43Å; F273-Y301 AromaticContact CE2-CD2 3.63Å; F273-Y301 HydrophobicContact CE2-CD2 3.63Å; F273-Y301 HydrophobicContact CE2-CE1 4.34Å; F273-Y301 AromaticContact CE2-CE2 3.55Å; F273-Y301 HydrophobicContact CE2-CE2 3.55Å; F273-Y301 HydrophobicContact CE2-CG 4.06Å; F273-Y301 AromaticContact CE2-CZ 3.9Å; F273-Y301 HydrophobicContact CZ-CD2 4.42Å; F273-L356 HydrophobicContact CB-CD2 3.79Å; F273-L356 HydrophobicContact CD1-CD1 4.04Å; F273-L356 HydrophobicContact CD1-CD2 4.06Å; F273-L356 HydrophobicContact CD2-CD1 4.26Å; F273-L356 HydrophobicContact CD2-CD2 4.33Å; F273-L356 HydrophobicContact CE1-CD1 4.01Å; F273-L356 HydrophobicContact CE2-CD1 4.22Å; F273-L356 HydrophobicContact CG-CD1 4.18Å; F273-L356 HydrophobicContact CG-CD2 3.79Å; F273-L356 HydrophobicContact CZ-CD1 4.09Å |
| 274 | I | 94 | Very high | 92.8 | Very high | 24 Ų | 24 | 78.1 Ų | 78.1 | 12% | 0.123 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 179 | -67.3 | -61.1 | 0 | 0 | 0 | 112 | Y265 V270 S271 R276 W277 S278 T291 I293 | Y265-I274 HydrophobicContact CD1-CD1 4.34Å; Y265-I274 HydrophobicContact CD1-CG1 4.09Å; Y265-I274 HydrophobicContact CE1-CD1 3.89Å; Y265-I274 HydrophobicContact CE1-CG1 4.15Å; V270-I274 HydrophobicContact CG1-CG1 4.17Å; V270-I274 WeakPolarHBondContact O-CG1 3.35Å; V270-I274 PolarHBondContact O-N 3.26Å; S271-I274 PolarHBondContact O-N 3.09Å; I274-R276 VanDerWaalsContact C-N 3.29Å; I274-R276 PolarHBondContact O-N 3.45Å; I274-W277 PolarHBondContact O-N 3.05Å; I274-S278 VanDerWaalsContact O-CB 3.31Å; I274-S278 WeakPolarHBondContact O-CB 3.21Å; I274-S278 PolarHBondContact O-N 3.45Å; I274-S278 PolarHBondContact O-OG 2.92Å; I274-T291 WeakPolarHBondContact CG2-O 3.15Å; I274-I293 HydrophobicContact CD1-CG2 4.19Å |
| 275 | E | 93.4 | Very high | 92.8 | Very high | 138 Ų | 138 | 77.4 Ų | 77.4 | 65% | 0.645 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -54.9 | -48.3 | 173.1 | -173.9 | -178.5 | -175.5 | 0 | 0 | 110.2 | S271 S278 T279 | S271-E275 PolarHBondContact O-N 3.41Å; E275-S278 PolarHBondContact O-OG 3.08Å; E275-T279 WeakPolarHBondContact O-CG2 3.17Å |
| 276 | R | 93.3 | Very high | 92.8 | Very high | 99 Ų | 99 | 77 Ų | 77 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.8 | -47.4 | 175.5 | -176.4 | 173.1 | 180 | 175.2 | -4.3 | 112.7 | K272 F273 I274 S278 T279 L280 | K272-R276 PolarHBondContact O-N 2.99Å; F273-R276 PolarHBondContact O-N 2.8Å; I274-R276 VanDerWaalsContact C-N 3.29Å; I274-R276 PolarHBondContact O-N 3.45Å; R276-S278 VanDerWaalsContact C-N 3.3Å; R276-S278 PolarHBondContact O-N 3.16Å; R276-T279 PolarHBondContact O-N 3.48Å; R276-T279 PolarHBondContact O-OG1 3.04Å; R276-L280 PolarHBondContact O-N 3.38Å |
| 277 | W | 94.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 71.7 Ų | 71.7 | 0% | 0.004 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.8 | -40 | -175.7 | 179.8 | -99.5 | 0 | 0 | 0 | 112.3 | Q39 A43 V46 F273 I274 T279 L280 A288 H289 T290 I293 | Q39-W277 HydrophobicContact CG-CH2 4.17Å; Q39-W277 HydrophobicContact CG-CZ2 3.8Å; A43-W277 HydrophobicContact CB-CH2 4.29Å; A43-W277 HydrophobicContact CB-CZ3 4.3Å; V46-W277 HydrophobicContact CG2-CE3 4.45Å; V46-W277 HydrophobicContact CG2-CZ3 4.08Å; F273-W277 HydrophobicContact CD1-CB 4.27Å; F273-W277 HydrophobicContact CE1-CB 3.94Å; F273-W277 HydrophobicContact CE1-CD2 4.09Å; F273-W277 HydrophobicContact CE1-CE3 4.07Å; F273-W277 HydrophobicContact CE1-CG 4.05Å; F273-W277 HydrophobicContact CE2-CE3 4.49Å; F273-W277 HydrophobicContact CZ-CB 4.39Å; F273-W277 HydrophobicContact CZ-CD2 4.12Å; F273-W277 AromaticContact CZ-CE3 3.61Å; F273-W277 HydrophobicContact CZ-CE3 3.61Å; F273-W277 HydrophobicContact CZ-CG 4.46Å; F273-W277 HydrophobicContact CZ-CZ3 4.25Å; F273-W277 WeakPolarHBondContact O-CB 2.87Å; F273-W277 PolarHBondContact O-N 2.88Å; I274-W277 PolarHBondContact O-N 3.05Å; W277-T279 VanDerWaalsContact C-N 3.28Å; W277-T279 PolarHBondContact O-N 3.37Å; W277-L280 HydrophobicContact CE3-CD1 3.92Å; W277-L280 HydrophobicContact CZ3-CD1 4.37Å; W277-L280 PolarHBondContact O-N 2.92Å; W277-A288 HydrophobicContact CD2-CB 4.26Å; W277-A288 HydrophobicContact CE3-CB 4.46Å; W277-A288 HydrophobicContact CH2-CB 4.01Å; W277-A288 HydrophobicContact CZ2-CB 3.78Å; W277-A288 HydrophobicContact CZ3-CB 4.35Å; W277-H289 PolarHBondContact O-N 2.9Å; W277-T290 VanDerWaalsContact CD1-O 3.3Å; W277-T290 PolarHBondContact NE1-OG1 2.86Å; W277-I293 HydrophobicContact CH2-CD1 4.46Å; W277-I293 HydrophobicContact CZ2-CD1 4.39Å |
| 278 | S | 92.8 | Very high | 92.2 | Very high | 39 Ų | 39 | 68.8 Ų | 68.8 | 27% | 0.273 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.7 | -24.6 | 176.7 | 66.2 | 0 | 0 | 0 | 0 | 113.1 | I274 E275 R276 H289 | I274-S278 VanDerWaalsContact O-CB 3.31Å; I274-S278 WeakPolarHBondContact O-CB 3.21Å; I274-S278 PolarHBondContact O-N 3.45Å; I274-S278 PolarHBondContact O-OG 2.92Å; E275-S278 PolarHBondContact O-OG 3.08Å; R276-S278 VanDerWaalsContact C-N 3.3Å; R276-S278 PolarHBondContact O-N 3.16Å; S278-H289 PolarHBondContact O-CE1 3.4Å; S278-H289 PolarHBondContact O-ND1 3.38Å |
| 279 | T | 93.5 | Very high | 92 | Very high | 105 Ų | 105 | 70.5 Ų | 70.5 | 64% | 0.644 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -86.7 | -8.8 | 177.8 | 62.6 | 0 | 0 | 0 | 0 | 114.7 | E275 R276 W277 | E275-T279 WeakPolarHBondContact O-CG2 3.17Å; R276-T279 PolarHBondContact O-N 3.48Å; R276-T279 PolarHBondContact O-OG1 3.04Å; W277-T279 VanDerWaalsContact C-N 3.28Å; W277-T279 PolarHBondContact O-N 3.37Å |
| 280 | L | 92.9 | Very high | 91.7 | Very high | 26 Ų | 26 | 70.2 Ų | 70.2 | 14% | 0.136 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -68.9 | 143.7 | 179 | -64 | 175.5 | 0 | 0 | 0 | 111 | V46 R276 W277 E282 Y285 A288 | V46-L280 HydrophobicContact CG2-CD1 3.66Å; R276-L280 PolarHBondContact O-N 3.38Å; W277-L280 HydrophobicContact CE3-CD1 3.92Å; W277-L280 HydrophobicContact CZ3-CD1 4.37Å; W277-L280 PolarHBondContact O-N 2.92Å; L280-E282 PolarHBondContact O-N 3.37Å; L280-Y285 HydrophobicContact CB-CD2 4.22Å; L280-Y285 HydrophobicContact CD1-CD2 4.37Å; L280-Y285 HydrophobicContact CD1-CG 4.4Å; L280-Y285 HydrophobicContact CD2-CD2 4.35Å; L280-Y285 HydrophobicContact CD2-CE2 4.29Å; L280-A288 HydrophobicContact CB-CB 4.05Å; L280-A288 HydrophobicContact CD1-CB 4.3Å |
| 281 | E | 91.8 | Very high | 91.4 | Very high | 120 Ų | 120 | 75.4 Ų | 75.4 | 56% | 0.561 | 39% | 0.386 | S | S | * | . | trans | -72.9 | 121.5 | 176.7 | -169.3 | -177.5 | 167 | 0 | 0 | 110.3 | K283 E284 Y285 | E281-K283 HydrophobicContact CG-CB 4.1Å; E281-K283 PolarHBondContact O-N 3.17Å; E281-K283 VanDerWaalsContact O-N 3.15Å; E281-E284 PolarHBondContact O-N 2.88Å; E281-Y285 PolarHBondContact O-N 3.36Å | ||
| 282 | E | 90.5 | Very high | 91.3 | Very high | 123 Ų | 123 | 74.7 Ų | 74.7 | 58% | 0.575 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -29.7 | -179.4 | -172.3 | 178.7 | -175.8 | 0 | 0 | 112.7 | L280 Y285 P286 H289 | L280-E282 PolarHBondContact O-N 3.37Å; E282-Y285 CarbonylContact O-C 3.6Å; E282-Y285 VanDerWaalsContact O-C 3.26Å; E282-P286 WeakPolarHBondContact O-CA 3.31Å; E282-H289 HydrophobicContact CB-CB 4.24Å |
| 283 | K | 90.3 | Very high | 91.3 | Very high | 189 Ų | 189 | 67.6 Ų | 67.6 | 82% | 0.822 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -35.6 | 176.7 | -170.8 | 179 | 178.4 | -177.7 | 0 | 112.8 | E281 | E281-K283 HydrophobicContact CG-CB 4.1Å; E281-K283 PolarHBondContact O-N 3.17Å; E281-K283 VanDerWaalsContact O-N 3.15Å |
| 284 | E | 91.1 | Very high | 91.2 | Very high | 99 Ų | 99 | 69.6 Ų | 69.6 | 46% | 0.463 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -36.1 | 177.7 | -172.9 | 177.1 | 177.4 | 0 | 0 | 111.7 | R45 E281 | R45-E284 PolarHBondContact NH1-O 2.82Å; R45-E284 IonicContact NH2-OE1 3.03Å; R45-E284 PolarHBondContact NH2-OE1 3.1Å; E281-E284 PolarHBondContact O-N 2.88Å |
| 285 | Y | 92.3 | Very high | 91.2 | Very high | 25 Ų | 25 | 69.6 Ų | 69.6 | 10% | 0.098 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -124.3 | 87.6 | -178.1 | -65.1 | -83.5 | 0 | 0 | 0 | 109.6 | R45 V46 L280 E281 E282 G287 A288 | R45-Y285 HydrophobicContact CB-CE1 3.85Å; V46-Y285 HydrophobicContact CG2-CD1 4Å; V46-Y285 HydrophobicContact CG2-CE1 3.78Å; L280-Y285 HydrophobicContact CB-CD2 4.22Å; L280-Y285 HydrophobicContact CD1-CD2 4.37Å; L280-Y285 HydrophobicContact CD1-CG 4.4Å; L280-Y285 HydrophobicContact CD2-CD2 4.35Å; L280-Y285 HydrophobicContact CD2-CE2 4.29Å; E281-Y285 PolarHBondContact O-N 3.36Å; E282-Y285 CarbonylContact O-C 3.6Å; E282-Y285 VanDerWaalsContact O-C 3.26Å; Y285-G287 PolarHBondContact O-N 2.99Å; Y285-A288 WeakPolarHBondContact O-CB 3.49Å; Y285-A288 PolarHBondContact O-N 2.97Å |
| 286 | P | 91.4 | Very high | 91.3 | Very high | 54 Ų | 54 | 63.8 Ų | 63.8 | 35% | 0.351 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 129.9 | -178.6 | 23.2 | -34.6 | 0 | 0 | 0 | 111.6 | D38 S42 E282 A288 | D38-P286 HydrophobicContact CB-CB 4.14Å; D38-P286 HydrophobicContact CB-CG 3.94Å; S42-P286 VanDerWaalsContact OG-CD 3.29Å; S42-P286 WeakPolarHBondContact OG-CD 3.32Å; S42-P286 PolarHBondContact OG-O 2.76Å; E282-P286 WeakPolarHBondContact O-CA 3.31Å; P286-A288 PolarHBondContact O-N 3.37Å |
| 287 | G | 85.9 | Confident | 91.4 | Very high | 30 Ų | 30 | 59.1 Ų | 59.1 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 6.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q39 Y285 | Q39-G287 PolarHBondContact NE2-O 3.24Å; Y285-G287 PolarHBondContact O-N 2.99Å |
| 288 | A | 83.4 | Confident | 91.5 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | trans | -81.1 | 179.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | W277 L280 Y285 P286 | W277-A288 HydrophobicContact CD2-CB 4.26Å; W277-A288 HydrophobicContact CE3-CB 4.46Å; W277-A288 HydrophobicContact CH2-CB 4.01Å; W277-A288 HydrophobicContact CZ2-CB 3.78Å; W277-A288 HydrophobicContact CZ3-CB 4.35Å; L280-A288 HydrophobicContact CB-CB 4.05Å; L280-A288 HydrophobicContact CD1-CB 4.3Å; Y285-A288 WeakPolarHBondContact O-CB 3.49Å; Y285-A288 PolarHBondContact O-N 2.97Å; P286-A288 PolarHBondContact O-N 3.37Å | ||
| 289 | H | 89.8 | Confident | 91.7 | Very high | 116 Ų | 116 | 57.2 Ų | 57.2 | 54% | 0.537 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 75.3 | 24.1 | -171.4 | -155.1 | 69.6 | 0 | 0 | 0 | 115.2 | W277 S278 E282 | W277-H289 PolarHBondContact O-N 2.9Å; S278-H289 PolarHBondContact O-CE1 3.4Å; S278-H289 PolarHBondContact O-ND1 3.38Å; E282-H289 HydrophobicContact CB-CB 4.24Å |
| 290 | T | 88.8 | Confident | 91.9 | Very high | 53 Ų | 53 | 52.2 Ų | 52.2 | 33% | 0.325 | 27% | 0.268 | S | S | . | . | trans | -111.9 | 155 | 175.1 | 53.9 | 0 | 0 | 0 | 0 | 111.1 | W277 T292 | W277-T290 VanDerWaalsContact CD1-O 3.3Å; W277-T290 PolarHBondContact NE1-OG1 2.86Å; T290-T292 WeakPolarHBondContact CB-O 3.39Å; T290-T292 PolarHBondContact O-N 3.41Å; T290-T292 PolarHBondContact OG1-O 2.76Å | ||
| 291 | T | 87.4 | Confident | 92.1 | Very high | 109 Ų | 109 | 51.8 Ų | 51.8 | 67% | 0.669 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -78.5 | -11.4 | 174.2 | 52 | 0 | 0 | 0 | 0 | 113 | I274 | I274-T291 WeakPolarHBondContact CG2-O 3.15Š|
| 292 | T | 91.1 | Very high | 92.3 | Very high | 55 Ų | 55 | 46 Ų | 46 | 34% | 0.337 | 24% | 0.238 | S | C | . | . | trans | -122.7 | 158.3 | 178.4 | 56.9 | 0 | 0 | 0 | 0 | 110.7 | Y265 T290 | Y265-T292 HydrophobicContact CE1-CG2 4.42Å; Y265-T292 WeakPolarHBondContact OH-CA 3.34Å; Y265-T292 WeakPolarHBondContact OH-CB 3.45Å; T290-T292 WeakPolarHBondContact CB-O 3.39Å; T290-T292 PolarHBondContact O-N 3.41Å; T290-T292 PolarHBondContact OG1-O 2.76Å | ||
| 293 | I | 93.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | trans | -128.8 | 140.2 | 175 | -176 | 165.5 | 0 | 0 | 0 | 109.2 | V263 Y265 F273 I274 W277 A298 | V263-I293 HydrophobicContact CG1-CG2 4.45Å; Y265-I293 PolarHBondContact OH-N 3.32Å; Y265-I293 PolarHBondContact OH-O 2.78Å; F273-I293 HydrophobicContact CE1-CD1 3.49Å; F273-I293 VanDerWaalsContact CE1-CD1 3.49Å; F273-I293 HydrophobicContact CE1-CG2 4.48Å; F273-I293 HydrophobicContact CZ-CD1 3.69Å; I274-I293 HydrophobicContact CD1-CG2 4.19Å; W277-I293 HydrophobicContact CH2-CD1 4.46Å; W277-I293 HydrophobicContact CZ2-CD1 4.39Å; I293-A298 HydrophobicContact CG2-CB 4.42Å | ||
| 294 | K | 93.8 | Very high | 92.9 | Very high | 55 Ų | 55 | 31.2 Ų | 31.2 | 24% | 0.239 | 17% | 0.172 | C | C | . | . | trans | -61.9 | 143.2 | 173.7 | -72.9 | 174.3 | -158.3 | 170.4 | 0 | 110.6 | D244 T296 S297 A298 | D244-K294 WeakPolarHBondContact OD2-CA 3.26Å; K294-T296 PolarHBondContact O-N 2.83Å; K294-S297 WeakPolarHBondContact O-CB 3.41Å; K294-S297 PolarHBondContact O-N 3.25Å; K294-A298 PolarHBondContact O-N 3.42Å | ||
| 295 | Y | 94.8 | Very high | 93.2 | Very high | 23 Ų | 23 | 28.1 Ų | 28.1 | 9% | 0.09 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.8 | -33.3 | 176.6 | 80.5 | -85.2 | 0 | 0 | 0 | 112.8 | R129 L240 D244 S297 A298 L299 | R129-Y295 PolarHBondContact NH1-OH 2.9Å; R129-Y295 PolarHBondContact NH2-OH 3.18Å; L240-Y295 HydrophobicContact CB-CD2 3.77Å; L240-Y295 HydrophobicContact CB-CE2 4.13Å; L240-Y295 HydrophobicContact CB-CG 3.98Å; L240-Y295 HydrophobicContact CD1-CD2 4.23Å; L240-Y295 HydrophobicContact CD1-CE2 4.31Å; D244-Y295 WeakPolarHBondContact OD2-CD1 3.43Å; D244-Y295 PolarHBondContact OD2-N 3.43Å; Y295-S297 VanDerWaalsContact C-N 3.34Å; Y295-S297 PolarHBondContact O-N 2.92Å; Y295-A298 PolarHBondContact O-N 3.01Å; Y295-L299 HydrophobicContact CD2-CD1 4.13Å; Y295-L299 VanDerWaalsContact O-CG 3.27Å; Y295-L299 WeakPolarHBondContact O-CG 3.5Å; Y295-L299 PolarHBondContact O-N 3.09Å |
| 296 | T | 95.1 | Very high | 93.4 | Very high | 17 Ų | 17 | 26.9 Ų | 26.9 | 10% | 0.104 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.6 | -39.9 | 174.6 | 45.8 | 0 | 0 | 0 | 0 | 112.4 | E40 K294 T300 | E40-T296 WeakPolarHBondContact OE1-CB 3.42Å; E40-T296 PolarHBondContact OE1-OG1 3.05Å; K294-T296 PolarHBondContact O-N 2.83Å; T296-T300 WeakPolarHBondContact O-CB 3.46Å; T296-T300 PolarHBondContact O-N 3.4Å; T296-T300 PolarHBondContact O-OG1 3.25Å |
| 297 | S | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.6 | -39.1 | 177.6 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | Q39 E40 A43 K294 Y295 T300 Y301 | Q39-S297 WeakPolarHBondContact CG-OG 3.47Å; E40-S297 WeakPolarHBondContact CA-OG 3.45Å; E40-S297 WeakPolarHBondContact CG-OG 3.41Å; E40-S297 PolarHBondContact N-OG 3.47Å; A43-S297 WeakPolarHBondContact CB-O 3.44Å; K294-S297 WeakPolarHBondContact O-CB 3.41Å; K294-S297 PolarHBondContact O-N 3.25Å; Y295-S297 VanDerWaalsContact C-N 3.34Å; Y295-S297 PolarHBondContact O-N 2.92Å; S297-T300 WeakPolarHBondContact O-CB 3.34Å; S297-T300 PolarHBondContact O-N 3.07Å; S297-T300 VanDerWaalsContact O-N 3.16Å; S297-Y301 PolarHBondContact O-N 2.81Å |
| 298 | A | 96.3 | Very high | 94 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | V263 I293 K294 Y295 T300 Y301 D302 L356 | V263-A298 HydrophobicContact CG2-CB 3.53Å; I293-A298 HydrophobicContact CG2-CB 4.42Å; K294-A298 PolarHBondContact O-N 3.42Å; Y295-A298 PolarHBondContact O-N 3.01Å; A298-T300 VanDerWaalsContact C-N 3.25Å; A298-T300 PolarHBondContact O-N 3.07Å; A298-Y301 PolarHBondContact O-N 2.73Å; A298-D302 PolarHBondContact O-N 3.16Å; A298-L356 HydrophobicContact CB-CB 4.03Å; A298-L356 HydrophobicContact CB-CD1 3.97Å |
| 299 | L | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.7 | -30.7 | 174.5 | -68.6 | 177.9 | 0 | 0 | 0 | 112.8 | P114 M128 R129 Y295 A303 | P114-L299 HydrophobicContact CB-CB 3.73Å; P114-L299 HydrophobicContact CB-CD1 4.37Å; M128-L299 HydrophobicContact CB-CB 4.17Å; M128-L299 HydrophobicContact CB-CD2 4.25Å; M128-L299 WeakPolarHBondContact O-CD2 3.49Å; R129-L299 HydrophobicContact CB-CD1 3.98Å; R129-L299 HydrophobicContact CG-CD1 4.17Å; Y295-L299 HydrophobicContact CD2-CD1 4.13Å; Y295-L299 VanDerWaalsContact O-CG 3.27Å; Y295-L299 WeakPolarHBondContact O-CG 3.5Å; Y295-L299 PolarHBondContact O-N 3.09Å; L299-A303 WeakPolarHBondContact O-CB 3.29Å; L299-A303 PolarHBondContact O-N 2.84Å |
| 300 | T | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.8 | -41.9 | 176.1 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | E40 F44 F89 T296 S297 A298 A303 V304 | E40-T300 VanDerWaalsContact O-CG2 3.29Å; E40-T300 WeakPolarHBondContact O-CG2 3.27Å; F44-T300 HydrophobicContact CB-CG2 3.67Å; F44-T300 HydrophobicContact CD2-CG2 4.19Å; F44-T300 HydrophobicContact CG-CG2 4.43Å; F89-T300 HydrophobicContact CE1-CG2 3.72Å; F89-T300 HydrophobicContact CZ-CG2 3.49Å; F89-T300 VanDerWaalsContact CZ-CG2 3.49Å; T296-T300 WeakPolarHBondContact O-CB 3.46Å; T296-T300 PolarHBondContact O-N 3.4Å; T296-T300 PolarHBondContact O-OG1 3.25Å; S297-T300 WeakPolarHBondContact O-CB 3.34Å; S297-T300 PolarHBondContact O-N 3.07Å; S297-T300 VanDerWaalsContact O-N 3.16Å; A298-T300 VanDerWaalsContact C-N 3.25Å; A298-T300 PolarHBondContact O-N 3.07Å; T300-A303 WeakPolarHBondContact O-CB 3.31Å; T300-A303 PolarHBondContact O-N 2.8Å; T300-V304 PolarHBondContact O-N 3.04Å |
| 301 | Y | 96.8 | Very high | 95 | Very high | 16 Ų | 16 | 17.2 Ų | 17.2 | 6% | 0.063 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 173.2 | 174.3 | -91.8 | 0 | 0 | 0 | 111.5 | V46 Q50 F51 F273 S297 A298 A303 V304 Q305 L356 | V46-Y301 HydrophobicContact CG1-CD2 4.42Å; V46-Y301 HydrophobicContact CG1-CE2 4.21Å; Q50-Y301 HydrophobicContact CB-CE2 4.27Å; Q50-Y301 HydrophobicContact CG-CE2 4.39Å; Q50-Y301 WeakPolarHBondContact CG-OH 3.31Å; F51-Y301 HydrophobicContact CE2-CD1 4.18Å; F51-Y301 HydrophobicContact CE2-CD2 4.26Å; F51-Y301 AromaticContact CE2-CE1 3.76Å; F51-Y301 HydrophobicContact CE2-CE1 3.76Å; F51-Y301 AromaticContact CE2-CE2 3.83Å; F51-Y301 HydrophobicContact CE2-CE2 3.83Å; F51-Y301 HydrophobicContact CE2-CG 4.44Å; F51-Y301 AromaticContact CE2-CZ 3.58Å; F51-Y301 HydrophobicContact CZ-CD1 4.36Å; F51-Y301 AromaticContact CZ-CE1 3.58Å; F51-Y301 HydrophobicContact CZ-CE1 3.58Å; F51-Y301 HydrophobicContact CZ-CE2 4.23Å; F51-Y301 AromaticContact CZ-CZ 3.52Å; F273-Y301 HydrophobicContact CD2-CD2 4.36Å; F273-Y301 HydrophobicContact CD2-CE1 4.2Å; F273-Y301 AromaticContact CD2-CE2 3.9Å; F273-Y301 HydrophobicContact CD2-CE2 3.9Å; F273-Y301 AromaticContact CD2-CZ 3.78Å; F273-Y301 HydrophobicContact CE2-CD1 4.43Å; F273-Y301 AromaticContact CE2-CD2 3.63Å; F273-Y301 HydrophobicContact CE2-CD2 3.63Å; F273-Y301 HydrophobicContact CE2-CE1 4.34Å; F273-Y301 AromaticContact CE2-CE2 3.55Å; F273-Y301 HydrophobicContact CE2-CE2 3.55Å; F273-Y301 HydrophobicContact CE2-CG 4.06Å; F273-Y301 AromaticContact CE2-CZ 3.9Å; F273-Y301 HydrophobicContact CZ-CD2 4.42Å; S297-Y301 PolarHBondContact O-N 2.81Å; A298-Y301 PolarHBondContact O-N 2.73Å; Y301-A303 VanDerWaalsContact C-N 3.28Å; Y301-A303 PolarHBondContact O-N 3.37Å; Y301-V304 PolarHBondContact O-N 2.78Å; Y301-Q305 PolarHBondContact O-N 2.9Å; Y301-L356 HydrophobicContact CD1-CD1 3.47Å; Y301-L356 VanDerWaalsContact CD1-CD1 3.47Å; Y301-L356 HydrophobicContact CD1-CG 3.72Å; Y301-L356 HydrophobicContact CE1-CD1 4.06Å; Y301-L356 HydrophobicContact CE1-CD2 4.5Å; Y301-L356 HydrophobicContact CE1-CG 3.99Å; Y301-L356 HydrophobicContact CG-CD1 3.94Å |
| 302 | D | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.9 | -34.6 | 175.7 | -74.8 | -2.5 | 0 | 0 | 0 | 112.4 | M128 A298 V304 Q305 V306 G355 L356 S357 I360 | M128-D302 HydrophobicContact CE-CB 3.75Å; A298-D302 PolarHBondContact O-N 3.16Å; D302-V304 VanDerWaalsContact C-N 3.3Å; D302-V304 PolarHBondContact O-N 2.94Å; D302-Q305 VanDerWaalsContact O-CB 3.31Å; D302-Q305 WeakPolarHBondContact O-CB 3.36Å; D302-Q305 PolarHBondContact O-N 3.31Å; D302-Q305 VanDerWaalsContact O-N 3.17Å; D302-V306 WeakPolarHBondContact O-CG2 3.14Å; D302-V306 PolarHBondContact O-N 2.67Å; D302-G355 WeakPolarHBondContact OD1-CA 3.23Å; D302-L356 PolarHBondContact OD1-N 3.46Å; D302-L356 PolarHBondContact OD2-N 3.37Å; D302-S357 VanDerWaalsContact OD2-CB 3.29Å; D302-S357 WeakPolarHBondContact OD2-CB 3.37Å; D302-S357 PolarHBondContact OD2-N 3.44Å; D302-S357 PolarHBondContact OD2-OG 3.01Å; D302-I360 HydrophobicContact CB-CD1 3.64Å |
| 303 | A | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.8 | -39.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F89 I112 M128 L299 T300 Y301 Q305 V306 M307 | F89-A303 HydrophobicContact CD2-CB 3.8Å; F89-A303 HydrophobicContact CE2-CB 3.4Å; F89-A303 HydrophobicContact CZ-CB 4.35Å; I112-A303 HydrophobicContact CG2-CB 4.01Å; M128-A303 HydrophobicContact CE-CB 4.24Å; M128-A303 HydrophobicContact CG-CB 3.97Å; M128-A303 HydrophobicContact SD-CB 4.19Å; L299-A303 WeakPolarHBondContact O-CB 3.29Å; L299-A303 PolarHBondContact O-N 2.84Å; T300-A303 WeakPolarHBondContact O-CB 3.31Å; T300-A303 PolarHBondContact O-N 2.8Å; Y301-A303 VanDerWaalsContact C-N 3.28Å; Y301-A303 PolarHBondContact O-N 3.37Å; A303-Q305 VanDerWaalsContact C-N 3.31Å; A303-Q305 PolarHBondContact O-N 2.8Å; A303-V306 PolarHBondContact O-N 2.85Å; A303-M307 WeakPolarHBondContact O-CB 3.28Å; A303-M307 VanDerWaalsContact O-CG 3.26Å; A303-M307 WeakPolarHBondContact O-CG 3.41Å; A303-M307 PolarHBondContact O-N 2.92Å |
| 304 | V | 96.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.006 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65.9 | -37 | 176.5 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | F44 M48 F51 T300 Y301 D302 M307 T308 | F44-V304 HydrophobicContact CD2-CG2 3.44Å; F44-V304 VanDerWaalsContact CD2-CG2 3.44Å; F44-V304 HydrophobicContact CE2-CG2 3.65Å; F44-V304 HydrophobicContact CG-CG2 4.26Å; M48-V304 HydrophobicContact CG-CG1 4.17Å; M48-V304 HydrophobicContact SD-CG1 3.89Å; F51-V304 HydrophobicContact CD2-CB 4.35Å; F51-V304 HydrophobicContact CD2-CG1 4.2Å; T300-V304 PolarHBondContact O-N 3.04Å; Y301-V304 PolarHBondContact O-N 2.78Å; D302-V304 VanDerWaalsContact C-N 3.3Å; D302-V304 PolarHBondContact O-N 2.94Å; V304-M307 PolarHBondContact O-N 3.42Å; V304-T308 WeakPolarHBondContact O-CB 3.5Å; V304-T308 PolarHBondContact O-N 2.84Å; V304-T308 PolarHBondContact O-OG1 3.28Å |
| 305 | Q | 96 | Very high | 95 | Very high | 33 Ų | 33 | 17 Ų | 17 | 15% | 0.154 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.2 | -48.5 | 173.8 | -169.5 | 176.7 | -8.2 | 0 | 0 | 111.2 | F51 Y301 D302 A303 T308 E309 V353 E354 | F51-Q305 HydrophobicContact CD1-CB 4.3Å; F51-Q305 HydrophobicContact CD1-CG 4.03Å; F51-Q305 HydrophobicContact CD2-CB 3.96Å; F51-Q305 HydrophobicContact CE1-CB 3.97Å; F51-Q305 HydrophobicContact CE1-CG 3.62Å; F51-Q305 HydrophobicContact CE2-CB 3.6Å; F51-Q305 HydrophobicContact CE2-CG 4.22Å; F51-Q305 HydrophobicContact CG-CB 4.3Å; F51-Q305 HydrophobicContact CG-CG 4.48Å; F51-Q305 HydrophobicContact CZ-CB 3.6Å; F51-Q305 HydrophobicContact CZ-CG 3.72Å; Y301-Q305 PolarHBondContact O-N 2.9Å; D302-Q305 VanDerWaalsContact O-CB 3.31Å; D302-Q305 WeakPolarHBondContact O-CB 3.36Å; D302-Q305 PolarHBondContact O-N 3.31Å; D302-Q305 VanDerWaalsContact O-N 3.17Å; A303-Q305 VanDerWaalsContact C-N 3.31Å; A303-Q305 PolarHBondContact O-N 2.8Å; Q305-T308 PolarHBondContact O-N 2.9Å; Q305-E309 PolarHBondContact O-N 3.49Å; Q305-V353 HydrophobicContact CG-CG2 4.26Å; Q305-E354 PolarHBondContact NE2-O 3.23Å; Q305-E354 PolarHBondContact OE1-O 3.19Å |
| 306 | V | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 178.6 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | M128 D302 A303 T308 E309 A310 L348 V351 V353 I360 F362 | M128-V306 HydrophobicContact CE-CG2 4.04Å; M128-V306 HydrophobicContact SD-CG2 4.42Å; D302-V306 WeakPolarHBondContact O-CG2 3.14Å; D302-V306 PolarHBondContact O-N 2.67Å; A303-V306 PolarHBondContact O-N 2.85Å; V306-T308 VanDerWaalsContact C-N 3.35Å; V306-T308 PolarHBondContact O-N 2.96Å; V306-E309 PolarHBondContact O-N 3.06Å; V306-A310 WeakPolarHBondContact O-CB 3.39Å; V306-A310 PolarHBondContact O-N 2.72Å; V306-L348 HydrophobicContact CG1-CD2 4.16Å; V306-V351 HydrophobicContact CB-CG1 4.47Å; V306-V351 HydrophobicContact CG1-CB 4.2Å; V306-V351 HydrophobicContact CG1-CG1 4.19Å; V306-V351 HydrophobicContact CG1-CG2 4.37Å; V306-V351 HydrophobicContact CG2-CG1 4.36Å; V306-V353 HydrophobicContact CG2-CG2 3.94Å; V306-I360 HydrophobicContact CG2-CD1 4.23Å; V306-I360 HydrophobicContact CG2-CG2 4.06Å; V306-F362 HydrophobicContact CG1-CE2 3.87Å; V306-F362 HydrophobicContact CG1-CZ 4.28Å; V306-F362 HydrophobicContact CG2-CE2 4.33Å; V306-F362 HydrophobicContact CG2-CZ 4.41Å |
| 307 | M | 95.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.8 | -44.2 | 177.5 | -72.9 | 176.4 | 68.2 | 0 | 0 | 111.8 | I29 A87 F89 I112 A303 V304 A310 F311 | I29-M307 HydrophobicContact CB-CE 4.11Å; I29-M307 HydrophobicContact CD1-CE 3.77Å; I29-M307 HydrophobicContact CG2-CE 3.87Å; A87-M307 HydrophobicContact CB-CE 4.27Å; F89-M307 HydrophobicContact CB-SD 4.02Å; I112-M307 HydrophobicContact CD1-CE 4.47Å; I112-M307 HydrophobicContact CD1-CG 4.1Å; I112-M307 HydrophobicContact CD1-SD 4.19Å; I112-M307 HydrophobicContact CG1-CG 4.19Å; A303-M307 WeakPolarHBondContact O-CB 3.28Å; A303-M307 VanDerWaalsContact O-CG 3.26Å; A303-M307 WeakPolarHBondContact O-CG 3.41Å; A303-M307 PolarHBondContact O-N 2.92Å; V304-M307 PolarHBondContact O-N 3.42Å; M307-A310 PolarHBondContact O-N 2.75Å; M307-F311 WeakPolarHBondContact O-CD2 3.34Å; M307-F311 PolarHBondContact O-N 3.43Å |
| 308 | T | 94.8 | Very high | 94.3 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.1 | -46.9 | 178.6 | -58 | 0 | 0 | 0 | 0 | 111 | F51 F56 V304 Q305 V306 A310 F311 R312 | F51-T308 HydrophobicContact CB-CG2 4.28Å; F51-T308 WeakPolarHBondContact O-CG2 3.33Å; F56-T308 HydrophobicContact CE2-CG2 4.24Å; F56-T308 HydrophobicContact CZ-CG2 4.02Å; F56-T308 WeakPolarHBondContact CZ-O 3.47Å; V304-T308 WeakPolarHBondContact O-CB 3.5Å; V304-T308 PolarHBondContact O-N 2.84Å; V304-T308 PolarHBondContact O-OG1 3.28Å; Q305-T308 PolarHBondContact O-N 2.9Å; V306-T308 VanDerWaalsContact C-N 3.35Å; V306-T308 PolarHBondContact O-N 2.96Å; T308-A310 VanDerWaalsContact C-N 3.33Å; T308-A310 PolarHBondContact O-N 2.71Å; T308-F311 PolarHBondContact O-N 3.34Å; T308-R312 WeakPolarHBondContact O-CB 3.39Å; T308-R312 PolarHBondContact O-N 2.8Å |
| 309 | E | 94.5 | Very high | 93.9 | Very high | 35 Ų | 35 | 39.2 Ų | 39.2 | 16% | 0.164 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.7 | -33.9 | -179.4 | -165.2 | 58.5 | -148.4 | 0 | 0 | 112.1 | Q305 V306 R312 N313 K316 V351 V353 | Q305-E309 PolarHBondContact O-N 3.49Å; V306-E309 PolarHBondContact O-N 3.06Å; E309-R312 WeakPolarHBondContact O-CB 3.4Å; E309-R312 PolarHBondContact O-N 3.39Å; E309-R312 WeakPolarHBondContact OE2-CD 3.31Å; E309-R312 IonicContact OE2-CZ 3.55Å; E309-R312 IonicContact OE2-NE 2.69Å; E309-R312 IonicContact OE2-NH1 3.4Å; E309-R312 PolarHBondContact OE2-NH1 2.97Å; E309-N313 WeakPolarHBondContact O-CB 3.21Å; E309-N313 VanDerWaalsContact O-CG 3.26Å; E309-N313 PolarHBondContact O-N 2.84Å; E309-N313 PolarHBondContact O-ND2 2.92Å; E309-N313 PolarHBondContact OE1-OD1 3.44Å; E309-K316 IonicContact OE1-NZ 3.3Å; E309-K316 PolarHBondContact OE1-NZ 3.45Å; E309-V351 HydrophobicContact CB-CG1 4.06Å; E309-V351 HydrophobicContact CG-CG1 4.29Å; E309-V353 HydrophobicContact CB-CG1 4.25Å; E309-V353 HydrophobicContact CG-CG1 4.12Å |
| 310 | A | 94.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.017 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.5 | -49 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V306 M307 T308 R312 N313 L314 L348 V351 | V306-A310 WeakPolarHBondContact O-CB 3.39Å; V306-A310 PolarHBondContact O-N 2.72Å; M307-A310 PolarHBondContact O-N 2.75Å; T308-A310 VanDerWaalsContact C-N 3.33Å; T308-A310 PolarHBondContact O-N 2.71Å; A310-R312 VanDerWaalsContact C-N 3.32Å; A310-R312 PolarHBondContact O-N 3.2Å; A310-N313 PolarHBondContact O-N 3.27Å; A310-L314 WeakPolarHBondContact O-CG 3.48Å; A310-L314 PolarHBondContact O-N 3.26Å; A310-L348 HydrophobicContact CB-CD2 3.57Å; A310-L348 HydrophobicContact CB-CG 3.9Å; A310-V351 HydrophobicContact CB-CG2 3.84Å |
| 311 | F | 93.6 | Very high | 92.6 | Very high | 5 Ų | 5 | 48.1 Ų | 48.1 | 2% | 0.022 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.5 | -32.7 | 177.2 | -72.2 | -60.6 | 0 | 0 | 0 | 112.8 | I27 I29 F56 L58 A87 M307 T308 L314 R315 I321 I344 | I27-F311 HydrophobicContact CD1-CB 3.83Å; I27-F311 HydrophobicContact CD1-CD1 3.84Å; I27-F311 HydrophobicContact CD1-CD2 4.26Å; I27-F311 HydrophobicContact CD1-CE1 4.5Å; I27-F311 HydrophobicContact CD1-CG 3.72Å; I27-F311 HydrophobicContact CG2-CD1 4.32Å; I27-F311 HydrophobicContact CG2-CD2 4.37Å; I27-F311 HydrophobicContact CG2-CE1 3.97Å; I27-F311 HydrophobicContact CG2-CE2 4.02Å; I27-F311 HydrophobicContact CG2-CZ 3.81Å; I29-F311 HydrophobicContact CG2-CE2 4.31Å; F56-F311 HydrophobicContact CD2-CB 4.45Å; F56-F311 HydrophobicContact CE1-CB 4.49Å; F56-F311 HydrophobicContact CE2-CB 3.81Å; F56-F311 HydrophobicContact CZ-CB 3.84Å; L58-F311 HydrophobicContact CD2-CD2 3.77Å; L58-F311 HydrophobicContact CD2-CE2 4.03Å; A87-F311 HydrophobicContact CB-CZ 4.25Å; M307-F311 WeakPolarHBondContact O-CD2 3.34Å; M307-F311 PolarHBondContact O-N 3.43Å; T308-F311 PolarHBondContact O-N 3.34Å; F311-L314 HydrophobicContact CD1-CD1 4Å; F311-L314 HydrophobicContact CE1-CD1 4.44Å; F311-L314 PolarHBondContact O-N 3.07Å; F311-R315 PolarHBondContact O-N 3.47Å; F311-I321 HydrophobicContact CD1-CD1 3.84Å; F311-I321 HydrophobicContact CE1-CD1 3.87Å; F311-I344 HydrophobicContact CE1-CD1 4.31Å |
| 312 | R | 92.9 | Very high | 91.8 | Very high | 74 Ų | 74 | 51.2 Ų | 51.2 | 28% | 0.279 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.6 | -44.3 | 171.5 | -173.7 | -177.6 | -73.5 | 159.1 | -7.1 | 111.2 | F56 T308 E309 A310 R315 K316 | F56-R312 HydrophobicContact CE1-CB 4.02Å; F56-R312 HydrophobicContact CZ-CB 4.16Å; T308-R312 WeakPolarHBondContact O-CB 3.39Å; T308-R312 PolarHBondContact O-N 2.8Å; E309-R312 WeakPolarHBondContact O-CB 3.4Å; E309-R312 PolarHBondContact O-N 3.39Å; E309-R312 WeakPolarHBondContact OE2-CD 3.31Å; E309-R312 IonicContact OE2-CZ 3.55Å; E309-R312 IonicContact OE2-NE 2.69Å; E309-R312 IonicContact OE2-NH1 3.4Å; E309-R312 PolarHBondContact OE2-NH1 2.97Å; A310-R312 VanDerWaalsContact C-N 3.32Å; A310-R312 PolarHBondContact O-N 3.2Å; R312-R315 PolarHBondContact O-N 2.92Å; R312-K316 WeakPolarHBondContact O-CG 3.47Å; R312-K316 PolarHBondContact O-N 2.88Å |
| 313 | N | 93 | Very high | 90.9 | Very high | 36 Ų | 36 | 53.4 Ų | 53.4 | 19% | 0.193 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.9 | -39 | 178.4 | -73.1 | -21.7 | 0 | 0 | 0 | 112.7 | E309 A310 R315 K316 Q317 | E309-N313 WeakPolarHBondContact O-CB 3.21Å; E309-N313 VanDerWaalsContact O-CG 3.26Å; E309-N313 PolarHBondContact O-N 2.84Å; E309-N313 PolarHBondContact O-ND2 2.92Å; E309-N313 PolarHBondContact OE1-OD1 3.44Å; A310-N313 PolarHBondContact O-N 3.27Å; N313-R315 VanDerWaalsContact C-N 3.3Å; N313-R315 PolarHBondContact O-N 2.89Å; N313-K316 PolarHBondContact O-N 3.24Å; N313-K316 PolarHBondContact OD1-NZ 2.91Å; N313-Q317 WeakPolarHBondContact O-CB 3.29Å; N313-Q317 WeakPolarHBondContact O-CG 3.41Å; N313-Q317 PolarHBondContact O-N 3.07Å |
| 314 | L | 92 | Very high | 89.7 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.6 | -41 | 173.6 | -73 | 166.6 | 0 | 0 | 0 | 112.1 | A310 F311 Q317 R318 I319 I321 I344 A347 | A310-L314 WeakPolarHBondContact O-CG 3.48Å; A310-L314 PolarHBondContact O-N 3.26Å; F311-L314 HydrophobicContact CD1-CD1 4Å; F311-L314 HydrophobicContact CE1-CD1 4.44Å; F311-L314 PolarHBondContact O-N 3.07Å; L314-Q317 PolarHBondContact O-N 3.18Å; L314-R318 PolarHBondContact O-N 3.43Å; L314-I319 HydrophobicContact CD2-CB 4.25Å; L314-I319 HydrophobicContact CD2-CD1 4.12Å; L314-I319 HydrophobicContact CD2-CG2 4.32Å; L314-I319 PolarHBondContact O-N 3.27Å; L314-I321 HydrophobicContact CD1-CG2 4.12Å; L314-I344 HydrophobicContact CD1-CG1 3.78Å; L314-A347 HydrophobicContact CD1-CB 4.11Å; L314-A347 HydrophobicContact CD2-CB 3.73Å; L314-A347 HydrophobicContact CG-CB 3.68Å |
| 315 | R | 89.5 | Confident | 88.7 | Confident | 102 Ų | 102 | 67.4 Ų | 67.4 | 39% | 0.385 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 173.9 | -76.2 | -169 | 167.6 | -155.5 | -0.8 | 112.8 | N25 E55 F311 R312 N313 Q317 R318 | N25-R315 PolarHBondContact OD1-NH2 3.42Å; E55-R315 VanDerWaalsContact C-NH1 3.33Å; E55-R315 PolarHBondContact O-NH1 3.07Å; F311-R315 PolarHBondContact O-N 3.47Å; R312-R315 PolarHBondContact O-N 2.92Å; N313-R315 VanDerWaalsContact C-N 3.3Å; N313-R315 PolarHBondContact O-N 2.89Å; R315-Q317 VanDerWaalsContact C-N 3.26Å; R315-Q317 PolarHBondContact O-N 3.45Å; R315-R318 PolarHBondContact O-N 3.49Å |
| 316 | K | 90.4 | Very high | 87.9 | Confident | 133 Ų | 133 | 73.3 Ų | 73.3 | 58% | 0.578 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.7 | -38.9 | 174.2 | -72.6 | 172.2 | -177.1 | 162 | 0 | 111.6 | E309 R312 N313 R318 | E309-K316 IonicContact OE1-NZ 3.3Å; E309-K316 PolarHBondContact OE1-NZ 3.45Å; R312-K316 WeakPolarHBondContact O-CG 3.47Å; R312-K316 PolarHBondContact O-N 2.88Å; N313-K316 PolarHBondContact O-N 3.24Å; N313-K316 PolarHBondContact OD1-NZ 2.91Å; K316-R318 PolarHBondContact O-N 3.42Å |
| 317 | Q | 91.3 | Very high | 87.1 | Confident | 101 Ų | 101 | 74.6 Ų | 74.6 | 47% | 0.472 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -2.9 | 176.2 | -67.8 | 174.9 | 1.6 | 0 | 0 | 113.6 | N313 L314 R315 I319 | N313-Q317 WeakPolarHBondContact O-CB 3.29Å; N313-Q317 WeakPolarHBondContact O-CG 3.41Å; N313-Q317 PolarHBondContact O-N 3.07Å; L314-Q317 PolarHBondContact O-N 3.18Å; R315-Q317 VanDerWaalsContact C-N 3.26Å; R315-Q317 PolarHBondContact O-N 3.45Å; Q317-I319 HydrophobicContact CB-CD1 4.04Å; Q317-I319 HydrophobicContact CB-CG1 3.98Å; Q317-I319 PolarHBondContact O-N 2.96Å |
| 318 | R | 88.2 | Confident | 86.6 | Confident | 225 Ų | 225 | 76.4 Ų | 76.4 | 85% | 0.849 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 32.9 | -176.9 | -55.7 | -178.2 | -179.9 | -178.5 | -0.5 | 113.5 | L314 R315 K316 | L314-R318 PolarHBondContact O-N 3.43Å; R315-R318 PolarHBondContact O-N 3.49Å; K316-R318 PolarHBondContact O-N 3.42Å |
| 319 | I | 87.1 | Confident | 86.3 | Confident | 49 Ų | 49 | 80.4 Ų | 80.4 | 25% | 0.251 | 39% | 0.391 | S | S | . | . | trans | -85 | 114.7 | 174.6 | -60.8 | 176.9 | 0 | 0 | 0 | 108.1 | L314 Q317 I321 E343 | L314-I319 HydrophobicContact CD2-CB 4.25Å; L314-I319 HydrophobicContact CD2-CD1 4.12Å; L314-I319 HydrophobicContact CD2-CG2 4.32Å; L314-I319 PolarHBondContact O-N 3.27Å; Q317-I319 HydrophobicContact CB-CD1 4.04Å; Q317-I319 HydrophobicContact CB-CG1 3.98Å; Q317-I319 PolarHBondContact O-N 2.96Å; I319-I321 PolarHBondContact O-N 3.22Å; I319-E343 HydrophobicContact CG2-CB 4.49Å | ||
| 320 | E | 83 | Confident | 86 | Confident | 164 Ų | 164 | 79.1 Ų | 79.1 | 77% | 0.766 | 39% | 0.386 | S | S | * | . | trans | -76.7 | 116.7 | 174 | -71.6 | -170.5 | 170.5 | 0 | 0 | 110.8 | ||||
| 321 | I | 85 | Confident | 85.8 | Confident | 23 Ų | 23 | 84.9 Ų | 84.9 | 12% | 0.118 | 42% | 0.415 | C | S | . | . | trans | -92.9 | -2.6 | 176.9 | 59.8 | 174.3 | 0 | 0 | 0 | 113.3 | Y86 F311 L314 I319 R323 I344 | Y86-I321 HydrophobicContact CD1-CD1 4.29Å; Y86-I321 HydrophobicContact CE1-CB 4.42Å; Y86-I321 HydrophobicContact CE1-CD1 4.45Å; Y86-I321 HydrophobicContact CE1-CG1 4.33Å; Y86-I321 WeakPolarHBondContact CE1-O 3.47Å; F311-I321 HydrophobicContact CD1-CD1 3.84Å; F311-I321 HydrophobicContact CE1-CD1 3.87Å; L314-I321 HydrophobicContact CD1-CG2 4.12Å; I319-I321 PolarHBondContact O-N 3.22Å; I321-R323 PolarHBondContact O-N 2.84Å; I321-R323 VanDerWaalsContact O-N 3.14Å; I321-I344 HydrophobicContact CG2-CD1 4.4Å; I321-I344 HydrophobicContact CG2-CG1 4.29Å | ||
| 322 | S | 80.9 | Confident | 85.5 | Confident | 81 Ų | 81 | 86.9 Ų | 86.9 | 57% | 0.566 | 43% | 0.433 | S | S | * | . | trans | -54.7 | 117.9 | -174.3 | -62.5 | 0 | 0 | 0 | 0 | 111.9 | R324 | S322-R324 PolarHBondContact O-N 3.46Š| ||
| 323 | R | 76.4 | Confident | 85.2 | Confident | 46 Ų | 46 | 90.9 Ų | 90.9 | 17% | 0.174 | 46% | 0.46 | C | S | . | . | trans | -68.8 | 126.3 | -179.6 | -145.7 | 175.5 | -166.1 | 144.4 | 0.1 | 109.6 | G84 V85 I321 G325 A327 | G84-R323 VanDerWaalsContact CA-NH1 3.3Å; G84-R323 PolarHBondContact O-NH1 3.47Å; V85-R323 PolarHBondContact O-NH1 3.28Å; I321-R323 PolarHBondContact O-N 2.84Å; I321-R323 VanDerWaalsContact O-N 3.14Å; R323-G325 PolarHBondContact O-N 3.04Å; R323-A327 VanDerWaalsContact NH2-CB 3.33Å | ||
| 324 | R | 72 | Confident | 84.7 | Confident | 251 Ų | 251 | 94.5 Ų | 94.5 | 95% | 0.947 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -72.1 | -6.3 | -176.9 | -68.5 | -175.6 | 178.4 | -179.2 | -0.8 | 114.5 | S322 | S322-R324 PolarHBondContact O-N 3.46Š|
| 325 | G | 75.1 | Confident | 84.3 | Confident | 45 Ų | 45 | 95.6 Ų | 95.6 | 46% | 0.464 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -176 | 179.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R323 | R323-G325 PolarHBondContact O-N 3.04Š|
| 326 | N | 81.2 | Confident | 84 | Confident | 157 Ų | 157 | 96.8 Ų | 96.8 | 84% | 0.84 | 51% | 0.513 | S | S | * | . | trans | -62.8 | 140.1 | 173 | -67.1 | -13.6 | 0 | 0 | 0 | 109.7 | G328 | N326-G328 PolarHBondContact O-N 3.34Š| ||
| 327 | A | 79.5 | Confident | 83.7 | Confident | 26 Ų | 26 | 93 Ų | 93 | 22% | 0.215 | 50% | 0.502 | C | S | . | . | trans | -64 | -21.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F81 R323 | F81-A327 HydrophobicContact CD1-CB 4Å; F81-A327 HydrophobicContact CD2-CB 4.45Å; F81-A327 HydrophobicContact CE1-CB 3.71Å; F81-A327 WeakPolarHBondContact CE1-O 3.35Å; F81-A327 HydrophobicContact CE2-CB 4.2Å; F81-A327 HydrophobicContact CG-CB 4.38Å; F81-A327 HydrophobicContact CZ-CB 3.82Å; F81-A327 WeakPolarHBondContact O-CB 3.43Å; R323-A327 VanDerWaalsContact NH2-CB 3.33Å | ||
| 328 | G | 84 | Confident | 83.3 | Confident | 40 Ų | 40 | 89.2 Ų | 89.2 | 41% | 0.412 | 48% | 0.484 | S | S | . | . | trans | 82.7 | -157.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S82 N326 | S82-G328 PolarHBondContact OG-O 3.4Å; N326-G328 PolarHBondContact O-N 3.34Å | ||
| 329 | D | 87.9 | Confident | 82.8 | Confident | 91 Ų | 91 | 81 Ų | 81 | 49% | 0.487 | 47% | 0.468 | S | S | . | . | trans | -82.1 | 140.7 | 174.8 | -166.5 | -7.1 | 0 | 0 | 0 | 110 | L331 A332 | D329-L331 PolarHBondContact O-N 2.89Å; D329-L331 PolarHBondContact OD1-N 3Å; D329-A332 WeakPolarHBondContact O-CB 3.44Å; D329-A332 PolarHBondContact O-N 2.92Å | ||
| 330 | C | 88.8 | Confident | 82.9 | Confident | 7 Ų | 7 | 81.7 Ų | 81.7 | 5% | 0.047 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -23.1 | 174.4 | 63.4 | 0 | 0 | 0 | 0 | 112 | C78 F81 L107 A332 | C78-C330 HydrophobicContact CB-CB 3.78Å; C78-C330 WeakPolarHBondContact CB-SG 3.13Å; C78-C330 WeakPolarHBondContact SG-CB 3.45Å; C78-C330 CovalentContact SG-SG 2.01Å; C78-C330 PolarHBondContact SG-SG 3.25Å; F81-C330 HydrophobicContact CD1-CB 4.01Å; F81-C330 HydrophobicContact CG-CB 4.47Å; L107-C330 HydrophobicContact CD1-CB 4.09Å; C330-A332 VanDerWaalsContact C-N 3.35Å |
| 331 | L | 90.6 | Very high | 83.2 | Confident | 123 Ų | 123 | 73.9 Ų | 73.9 | 64% | 0.644 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 15 | 178.2 | -59.1 | -179.8 | 0 | 0 | 0 | 113.4 | D329 N333 | D329-L331 PolarHBondContact O-N 2.89Å; D329-L331 PolarHBondContact OD1-N 3Å; L331-N333 PolarHBondContact O-N 2.5Å |
| 332 | A | 87.4 | Confident | 83.6 | Confident | 47 Ų | 47 | 75.2 Ų | 75.2 | 39% | 0.388 | 44% | 0.444 | S | S | . | . | trans | -53.8 | 134.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | D329 C330 P334 A335 | D329-A332 WeakPolarHBondContact O-CB 3.44Å; D329-A332 PolarHBondContact O-N 2.92Å; C330-A332 VanDerWaalsContact C-N 3.35Å; A332-P334 CarbonylContact O-C 3.36Å; A332-A335 WeakPolarHBondContact O-CA 3.07Å; A332-A335 WeakPolarHBondContact O-CB 3.43Å; A332-A335 PolarHBondContact O-N 3.25Å | ||
| 333 | N | 86.4 | Confident | 84.1 | Confident | 158 Ų | 158 | 74 Ų | 74 | 85% | 0.845 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -129.9 | 108 | -176.6 | -170 | 8.7 | 0 | 0 | 0 | 110.9 | L331 | L331-N333 PolarHBondContact O-N 2.5Š|
| 334 | P | 81.5 | Confident | 84.9 | Confident | 113 Ų | 113 | 71.8 Ų | 71.8 | 73% | 0.734 | 42% | 0.421 | S | S | * | . | S | Bend | cis | -71.9 | 141.8 | -5.5 | -15.9 | 31.5 | 0 | 0 | 0 | 112.5 | A332 V336 | A332-P334 CarbonylContact O-C 3.36Å; P334-V336 PolarHBondContact O-N 3.03Å |
| 335 | A | 84 | Confident | 86 | Confident | 26 Ų | 26 | 60.7 Ų | 60.7 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | trans | -70.7 | 129.5 | 172 | 0 | 0 | 0 | 0 | 0 | 109 | L107 A332 P337 | L107-A335 HydrophobicContact CD2-CB 3.61Å; A332-A335 WeakPolarHBondContact O-CA 3.07Å; A332-A335 WeakPolarHBondContact O-CB 3.43Å; A332-A335 PolarHBondContact O-N 3.25Å; A335-P337 VanDerWaalsContact O-CD 3.32Å; A335-P337 WeakPolarHBondContact O-CD 3.41Å | ||
| 336 | V | 83.6 | Confident | 86.9 | Confident | 126 Ų | 126 | 64.1 Ų | 64.1 | 76% | 0.764 | 38% | 0.378 | S | S | * | . | trans | -91.9 | 111.7 | 176.7 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | P334 | P334-V336 PolarHBondContact O-N 3.03Š| ||
| 337 | P | 83.9 | Confident | 87.5 | Confident | 54 Ų | 54 | 56.8 Ų | 56.8 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | trans | -66.3 | 141.5 | 174.4 | -15.7 | 30.5 | 0 | 0 | 0 | 110.3 | H108 A335 | H108-P337 HydrophobicContact CB-CB 4.1Å; H108-P337 WeakPolarHBondContact ND1-CB 3.41Å; A335-P337 VanDerWaalsContact O-CD 3.32Å; A335-P337 WeakPolarHBondContact O-CD 3.41Å | ||
| 338 | W | 83.5 | Confident | 88.3 | Confident | 22 Ų | 22 | 55.7 Ų | 55.7 | 8% | 0.083 | 33% | 0.33 | C | S | . | . | trans | -86.5 | 118.9 | 175.9 | 70.5 | -65.8 | 0 | 0 | 0 | 108.9 | Y86 H108 Q340 G341 I344 | Y86-W338 AromaticContact CD1-CH2 3.76Å; Y86-W338 HydrophobicContact CD1-CH2 3.76Å; Y86-W338 HydrophobicContact CD1-CZ3 4.1Å; Y86-W338 HydrophobicContact CE1-CZ3 4.45Å; H108-W338 PolarHBondContact O-NE1 3.4Å; H108-W338 VanDerWaalsContact O-NE1 3.09Å; W338-Q340 HydrophobicContact CE3-CB 3.65Å; W338-Q340 HydrophobicContact CH2-CB 4.38Å; W338-Q340 HydrophobicContact CZ3-CB 3.47Å; W338-Q340 VanDerWaalsContact CZ3-CB 3.47Å; W338-Q340 PolarHBondContact O-N 3.48Å; W338-Q340 VanDerWaalsContact O-N 3.09Å; W338-G341 PolarHBondContact O-N 3.23Å; W338-I344 HydrophobicContact CH2-CD1 3.26Å; W338-I344 HydrophobicContact CH2-CG1 4.49Å; W338-I344 HydrophobicContact CZ2-CD1 3.89Å; W338-I344 HydrophobicContact CZ3-CD1 4.2Å | ||
| 339 | G | 78.2 | Confident | 88.8 | Confident | 51 Ų | 51 | 55.7 Ų | 55.7 | 53% | 0.526 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.2 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | G341 V342 | G339-G341 PolarHBondContact O-N 3.42Å; G339-V342 PolarHBondContact O-N 3.37Å |
| 340 | Q | 87.9 | Confident | 89.1 | Confident | 65 Ų | 65 | 57 Ų | 57 | 30% | 0.304 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -71.6 | -15.1 | 179.3 | -63.2 | 74.8 | 15.9 | 0 | 0 | 113 | W338 V342 E343 I344 | W338-Q340 HydrophobicContact CE3-CB 3.65Å; W338-Q340 HydrophobicContact CH2-CB 4.38Å; W338-Q340 HydrophobicContact CZ3-CB 3.47Å; W338-Q340 VanDerWaalsContact CZ3-CB 3.47Å; W338-Q340 PolarHBondContact O-N 3.48Å; W338-Q340 VanDerWaalsContact O-N 3.09Å; Q340-V342 VanDerWaalsContact C-N 3.26Å; Q340-V342 PolarHBondContact O-N 3.4Å; Q340-E343 PolarHBondContact O-N 3.04Å; Q340-E343 VanDerWaalsContact O-N 3.16Å; Q340-I344 PolarHBondContact O-N 3.26Å; Q340-I344 VanDerWaalsContact O-N 3.12Å |
| 341 | G | 90.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.4 | -35.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | W338 G339 I344 E345 | W338-G341 PolarHBondContact O-N 3.23Å; G339-G341 PolarHBondContact O-N 3.42Å; G341-I344 PolarHBondContact O-N 3.07Å; G341-E345 PolarHBondContact O-N 2.97Å |
| 342 | V | 92.3 | Very high | 89.7 | Confident | 51 Ų | 51 | 56.3 Ų | 56.3 | 31% | 0.309 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 176.2 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | F124 G339 Q340 I344 E345 R346 | F124-V342 HydrophobicContact CE1-CG2 4.49Å; F124-V342 HydrophobicContact CZ-CG2 4.07Å; G339-V342 PolarHBondContact O-N 3.37Å; Q340-V342 VanDerWaalsContact C-N 3.26Å; Q340-V342 PolarHBondContact O-N 3.4Å; V342-I344 VanDerWaalsContact C-N 3.34Å; V342-E345 PolarHBondContact O-N 2.92Å; V342-R346 WeakPolarHBondContact O-CB 3.27Å; V342-R346 PolarHBondContact O-N 3.34Å |
| 343 | E | 91.9 | Very high | 90.1 | Very high | 54 Ų | 54 | 55 Ų | 55 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.9 | -35.2 | 178.1 | -65 | -57.5 | 152.4 | 0 | 0 | 111.6 | I319 Q340 R346 A347 | I319-E343 HydrophobicContact CG2-CB 4.49Å; Q340-E343 PolarHBondContact O-N 3.04Å; Q340-E343 VanDerWaalsContact O-N 3.16Å; E343-R346 PolarHBondContact O-N 3.26Å; E343-R346 IonicContact OE1-CZ 2.84Å; E343-R346 IonicContact OE1-NH1 2.75Å; E343-R346 PolarHBondContact OE1-NH1 2.99Å; E343-R346 IonicContact OE1-NH2 2.72Å; E343-R346 IonicContact OE2-CZ 2.73Å; E343-R346 IonicContact OE2-NH1 3.76Å; E343-R346 PolarHBondContact OE2-NH1 3.36Å; E343-A347 WeakPolarHBondContact O-CB 3.42Å; E343-A347 PolarHBondContact O-N 2.91Å |
| 344 | I | 93.2 | Very high | 90.5 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 173.7 | -67.7 | 173.7 | 0 | 0 | 0 | 111.1 | F311 L314 I321 W338 Q340 G341 V342 R346 A347 L348 | F311-I344 HydrophobicContact CE1-CD1 4.31Å; L314-I344 HydrophobicContact CD1-CG1 3.78Å; I321-I344 HydrophobicContact CG2-CD1 4.4Å; I321-I344 HydrophobicContact CG2-CG1 4.29Å; W338-I344 HydrophobicContact CH2-CD1 3.26Å; W338-I344 HydrophobicContact CH2-CG1 4.49Å; W338-I344 HydrophobicContact CZ2-CD1 3.89Å; W338-I344 HydrophobicContact CZ3-CD1 4.2Å; Q340-I344 PolarHBondContact O-N 3.26Å; Q340-I344 VanDerWaalsContact O-N 3.12Å; G341-I344 PolarHBondContact O-N 3.07Å; V342-I344 VanDerWaalsContact C-N 3.34Å; I344-R346 VanDerWaalsContact C-N 3.32Å; I344-R346 PolarHBondContact O-N 2.89Å; I344-A347 PolarHBondContact O-N 2.87Å; I344-L348 HydrophobicContact CG2-CD1 3.85Å; I344-L348 HydrophobicContact CG2-CG 4.41Å; I344-L348 WeakPolarHBondContact O-CB 3.35Å; I344-L348 WeakPolarHBondContact O-CG 3.31Å; I344-L348 PolarHBondContact O-N 3.41Å |
| 345 | E | 94.3 | Very high | 91.1 | Very high | 18 Ų | 18 | 47.1 Ų | 47.1 | 8% | 0.084 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 176.1 | -172.1 | -165.4 | -163.8 | 0 | 0 | 111 | F124 G341 V342 A347 L348 K349 | F124-E345 WeakPolarHBondContact CA-OE1 3.44Å; F124-E345 HydrophobicContact CD1-CB 3.92Å; F124-E345 HydrophobicContact CD1-CG 4.16Å; F124-E345 HydrophobicContact CE1-CB 3.95Å; F124-E345 HydrophobicContact CE1-CG 4.46Å; F124-E345 PolarHBondContact N-OE1 3.24Å; G341-E345 PolarHBondContact O-N 2.97Å; V342-E345 PolarHBondContact O-N 2.92Å; E345-A347 PolarHBondContact O-N 3.37Å; E345-L348 PolarHBondContact O-N 3.4Å; E345-K349 HydrophobicContact CG-CD 4.24Å; E345-K349 WeakPolarHBondContact O-CG 3.41Å; E345-K349 PolarHBondContact O-N 2.88Å; E345-K349 WeakPolarHBondContact OE1-CE 3.44Å; E345-K349 IonicContact OE1-NZ 3.79Å; E345-K349 PolarHBondContact OE1-NZ 2.73Å; E345-K349 IonicContact OE2-NZ 2.69Å |
| 346 | R | 94.2 | Very high | 91.6 | Very high | 117 Ų | 117 | 46 Ų | 46 | 44% | 0.442 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.1 | -45.1 | 175.8 | -175.1 | -176.7 | -65.3 | 145.7 | 2.5 | 111.4 | V342 E343 I344 K349 Q350 | V342-R346 WeakPolarHBondContact O-CB 3.27Å; V342-R346 PolarHBondContact O-N 3.34Å; E343-R346 PolarHBondContact O-N 3.26Å; E343-R346 IonicContact OE1-CZ 2.84Å; E343-R346 IonicContact OE1-NH1 2.75Å; E343-R346 PolarHBondContact OE1-NH1 2.99Å; E343-R346 IonicContact OE1-NH2 2.72Å; E343-R346 IonicContact OE2-CZ 2.73Å; E343-R346 IonicContact OE2-NH1 3.76Å; E343-R346 PolarHBondContact OE2-NH1 3.36Å; I344-R346 VanDerWaalsContact C-N 3.32Å; I344-R346 PolarHBondContact O-N 2.89Å; R346-K349 PolarHBondContact O-N 3.36Å; R346-Q350 VanDerWaalsContact O-CG 3.3Å; R346-Q350 WeakPolarHBondContact O-CG 3.3Å; R346-Q350 PolarHBondContact O-N 2.78Å; R346-Q350 VanDerWaalsContact O-N 3.16Å |
| 347 | A | 94.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 2% | 0.017 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L314 E343 I344 E345 Q350 V351 | L314-A347 HydrophobicContact CD1-CB 4.11Å; L314-A347 HydrophobicContact CD2-CB 3.73Å; L314-A347 HydrophobicContact CG-CB 3.68Å; E343-A347 WeakPolarHBondContact O-CB 3.42Å; E343-A347 PolarHBondContact O-N 2.91Å; I344-A347 PolarHBondContact O-N 2.87Å; E345-A347 PolarHBondContact O-N 3.37Å; A347-Q350 PolarHBondContact O-N 3.03Å; A347-V351 WeakPolarHBondContact O-CG2 3.35Å; A347-V351 PolarHBondContact O-N 3Å |
| 348 | L | 95.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 176.1 | -77.5 | 163.6 | 0 | 0 | 0 | 112 | I112 I126 V306 A310 I344 E345 Q350 V351 | I112-L348 HydrophobicContact CD1-CD1 4.23Å; I112-L348 HydrophobicContact CG1-CD1 4.47Å; I112-L348 HydrophobicContact CG1-CD2 4.43Å; I126-L348 HydrophobicContact CD1-CB 4.1Å; I126-L348 HydrophobicContact CG1-CB 4.06Å; I126-L348 HydrophobicContact CG1-CD1 4.14Å; V306-L348 HydrophobicContact CG1-CD2 4.16Å; A310-L348 HydrophobicContact CB-CD2 3.57Å; A310-L348 HydrophobicContact CB-CG 3.9Å; I344-L348 HydrophobicContact CG2-CD1 3.85Å; I344-L348 HydrophobicContact CG2-CG 4.41Å; I344-L348 WeakPolarHBondContact O-CB 3.35Å; I344-L348 WeakPolarHBondContact O-CG 3.31Å; I344-L348 PolarHBondContact O-N 3.41Å; E345-L348 PolarHBondContact O-N 3.4Å; L348-Q350 PolarHBondContact O-N 3.25Å; L348-V351 WeakPolarHBondContact O-CB 3.49Å; L348-V351 PolarHBondContact O-N 3.29Å |
| 349 | K | 94.8 | Very high | 93.2 | Very high | 40 Ų | 40 | 38.9 Ų | 38.9 | 17% | 0.174 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.7 | -25.4 | 179.8 | -70.3 | 174.5 | -177.8 | 171.2 | 0 | 113.4 | I126 E345 R346 Q364 | I126-K349 HydrophobicContact CD1-CG 3.81Å; E345-K349 HydrophobicContact CG-CD 4.24Å; E345-K349 WeakPolarHBondContact O-CG 3.41Å; E345-K349 PolarHBondContact O-N 2.88Å; E345-K349 WeakPolarHBondContact OE1-CE 3.44Å; E345-K349 IonicContact OE1-NZ 3.79Å; E345-K349 PolarHBondContact OE1-NZ 2.73Å; E345-K349 IonicContact OE2-NZ 2.69Å; R346-K349 PolarHBondContact O-N 3.36Å; K349-Q364 VanDerWaalsContact CE-O 3.24Å; K349-Q364 WeakPolarHBondContact CE-O 3.48Å; K349-Q364 PolarHBondContact NZ-O 2.84Å |
| 350 | Q | 94.8 | Very high | 94.1 | Very high | 119 Ų | 119 | 36.5 Ų | 36.5 | 56% | 0.556 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -8.4 | 177.6 | -72.9 | 177.1 | -3.7 | 0 | 0 | 113.6 | R346 A347 L348 Q352 | R346-Q350 VanDerWaalsContact O-CG 3.3Å; R346-Q350 WeakPolarHBondContact O-CG 3.3Å; R346-Q350 PolarHBondContact O-N 2.78Å; R346-Q350 VanDerWaalsContact O-N 3.16Å; A347-Q350 PolarHBondContact O-N 3.03Å; L348-Q350 PolarHBondContact O-N 3.25Å; Q350-Q352 PolarHBondContact O-N 2.92Å |
| 351 | V | 95.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | trans | -66.2 | 128.9 | 178.1 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | V306 E309 A310 A347 L348 V353 | V306-V351 HydrophobicContact CB-CG1 4.47Å; V306-V351 HydrophobicContact CG1-CB 4.2Å; V306-V351 HydrophobicContact CG1-CG1 4.19Å; V306-V351 HydrophobicContact CG1-CG2 4.37Å; V306-V351 HydrophobicContact CG2-CG1 4.36Å; E309-V351 HydrophobicContact CB-CG1 4.06Å; E309-V351 HydrophobicContact CG-CG1 4.29Å; A310-V351 HydrophobicContact CB-CG2 3.84Å; A347-V351 WeakPolarHBondContact O-CG2 3.35Å; A347-V351 PolarHBondContact O-N 3Å; L348-V351 WeakPolarHBondContact O-CB 3.49Å; L348-V351 PolarHBondContact O-N 3.29Å; V351-V353 HydrophobicContact CG1-CG1 3.76Å; V351-V353 HydrophobicContact CG1-CG2 4.13Å | ||
| 352 | Q | 96 | Very high | 94.7 | Very high | 114 Ų | 114 | 37.8 Ų | 37.8 | 53% | 0.533 | 18% | 0.183 | S | C | . | . | trans | -127.9 | 116.8 | 166.6 | -174.3 | 176.6 | -8 | 0 | 0 | 109 | Q350 N359 I360 | Q350-Q352 PolarHBondContact O-N 2.92Å; Q352-N359 PolarHBondContact NE2-OD1 2.85Å; Q352-N359 VanDerWaalsContact NE2-OD1 3.16Å; Q352-I360 WeakPolarHBondContact CA-O 3.06Å | ||
| 353 | V | 95.3 | Very high | 94.7 | Very high | 20 Ų | 20 | 37.2 Ų | 37.2 | 12% | 0.121 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 154 | -178 | -66.2 | 0 | 0 | 0 | 0 | 110.3 | Q305 V306 E309 V351 I360 | Q305-V353 HydrophobicContact CG-CG2 4.26Å; V306-V353 HydrophobicContact CG2-CG2 3.94Å; E309-V353 HydrophobicContact CB-CG1 4.25Å; E309-V353 HydrophobicContact CG-CG1 4.12Å; V351-V353 HydrophobicContact CG1-CG1 3.76Å; V351-V353 HydrophobicContact CG1-CG2 4.13Å; V353-I360 HydrophobicContact CG2-CB 4.21Å; V353-I360 HydrophobicContact CG2-CD1 4.17Å; V353-I360 PolarHBondContact N-O 3.27Å; V353-I360 WeakPolarHBondContact O-CB 3.47Å; V353-I360 PolarHBondContact O-N 3.45Å |
| 354 | E | 95.1 | Very high | 94.8 | Very high | 104 Ų | 104 | 42.8 Ų | 42.8 | 49% | 0.486 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 128.2 | 168.4 | -67.6 | -64.2 | 158.9 | 0 | 0 | 109.3 | Q305 N359 | Q305-E354 PolarHBondContact NE2-O 3.23Å; Q305-E354 PolarHBondContact OE1-O 3.19Å; E354-N359 VanDerWaalsContact OE1-CB 3.27Å; E354-N359 WeakPolarHBondContact OE1-CB 3.41Å; E354-N359 PolarHBondContact OE1-OD1 3.31Å; E354-N359 VanDerWaalsContact OE2-CA 3.28Å; E354-N359 WeakPolarHBondContact OE2-CA 3.48Å; E354-N359 PolarHBondContact OE2-N 3.36Å |
| 355 | G | 94.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | -162.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D302 S357 G358 | D302-G355 WeakPolarHBondContact OD1-CA 3.23Å; G355-S357 PolarHBondContact O-N 3.29Å; G355-G358 PolarHBondContact N-O 3.02Å; G355-G358 VanDerWaalsContact N-O 3.11Å; G355-G358 PolarHBondContact O-N 2.9Å |
| 356 | L | 95.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -26.5 | 177.3 | -59.9 | 178 | 0 | 0 | 0 | 112.7 | L269 V270 F273 A298 Y301 D302 G358 | L269-L356 HydrophobicContact CD2-CD2 3.71Å; V270-L356 HydrophobicContact CB-CD2 4.42Å; V270-L356 HydrophobicContact CG2-CD2 3.94Å; F273-L356 HydrophobicContact CB-CD2 3.79Å; F273-L356 HydrophobicContact CD1-CD1 4.04Å; F273-L356 HydrophobicContact CD1-CD2 4.06Å; F273-L356 HydrophobicContact CD2-CD1 4.26Å; F273-L356 HydrophobicContact CD2-CD2 4.33Å; F273-L356 HydrophobicContact CE1-CD1 4.01Å; F273-L356 HydrophobicContact CE2-CD1 4.22Å; F273-L356 HydrophobicContact CG-CD1 4.18Å; F273-L356 HydrophobicContact CG-CD2 3.79Å; F273-L356 HydrophobicContact CZ-CD1 4.09Å; A298-L356 HydrophobicContact CB-CB 4.03Å; A298-L356 HydrophobicContact CB-CD1 3.97Å; Y301-L356 HydrophobicContact CD1-CD1 3.47Å; Y301-L356 VanDerWaalsContact CD1-CD1 3.47Å; Y301-L356 HydrophobicContact CD1-CG 3.72Å; Y301-L356 HydrophobicContact CE1-CD1 4.06Å; Y301-L356 HydrophobicContact CE1-CD2 4.5Å; Y301-L356 HydrophobicContact CE1-CG 3.99Å; Y301-L356 HydrophobicContact CG-CD1 3.94Å; D302-L356 PolarHBondContact OD1-N 3.46Å; D302-L356 PolarHBondContact OD2-N 3.37Å; L356-G358 VanDerWaalsContact C-N 3.28Å |
| 357 | S | 95.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 20 | 174 | 64.9 | 0 | 0 | 0 | 0 | 114 | D302 G355 R368 | D302-S357 VanDerWaalsContact OD2-CB 3.29Å; D302-S357 WeakPolarHBondContact OD2-CB 3.37Å; D302-S357 PolarHBondContact OD2-N 3.44Å; D302-S357 PolarHBondContact OD2-OG 3.01Å; G355-S357 PolarHBondContact O-N 3.29Å; S357-R368 PolarHBondContact OG-NH1 3.37Å; S357-R368 VanDerWaalsContact OG-NH1 3.09Å |
| 358 | G | 94.2 | Very high | 94.7 | Very high | 25 Ų | 25 | 42.3 Ų | 42.3 | 26% | 0.258 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 70.2 | -144.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G355 L356 I360 | G355-G358 PolarHBondContact N-O 3.02Å; G355-G358 VanDerWaalsContact N-O 3.11Å; G355-G358 PolarHBondContact O-N 2.9Å; L356-G358 VanDerWaalsContact C-N 3.28Å; G358-I360 WeakPolarHBondContact O-CG1 3.25Å; G358-I360 PolarHBondContact O-N 3.18Å |
| 359 | N | 95.2 | Very high | 94.6 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 14% | 0.139 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 117.5 | -177.1 | 175.5 | 62.1 | 0 | 0 | 0 | 112 | Q352 E354 R368 N370 | Q352-N359 PolarHBondContact NE2-OD1 2.85Å; Q352-N359 VanDerWaalsContact NE2-OD1 3.16Å; E354-N359 VanDerWaalsContact OE1-CB 3.27Å; E354-N359 WeakPolarHBondContact OE1-CB 3.41Å; E354-N359 PolarHBondContact OE1-OD1 3.31Å; E354-N359 VanDerWaalsContact OE2-CA 3.28Å; E354-N359 WeakPolarHBondContact OE2-CA 3.48Å; E354-N359 PolarHBondContact OE2-N 3.36Å; N359-R368 PolarHBondContact O-NH2 3.46Å; N359-N370 PolarHBondContact ND2-ND2 2.92Å; N359-N370 PolarHBondContact ND2-O 3.44Å |
| 360 | I | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 118.8 | 179.1 | -50.2 | -178.6 | 0 | 0 | 0 | 109.4 | M128 D302 V306 Q352 V353 G358 F362 | M128-I360 HydrophobicContact CE-CD1 4.05Å; M128-I360 HydrophobicContact CE-CG2 4.46Å; D302-I360 HydrophobicContact CB-CD1 3.64Å; V306-I360 HydrophobicContact CG2-CD1 4.23Å; V306-I360 HydrophobicContact CG2-CG2 4.06Å; Q352-I360 WeakPolarHBondContact CA-O 3.06Å; V353-I360 HydrophobicContact CG2-CB 4.21Å; V353-I360 HydrophobicContact CG2-CD1 4.17Å; V353-I360 PolarHBondContact N-O 3.27Å; V353-I360 WeakPolarHBondContact O-CB 3.47Å; V353-I360 PolarHBondContact O-N 3.45Å; G358-I360 WeakPolarHBondContact O-CG1 3.25Å; G358-I360 PolarHBondContact O-N 3.18Å; I360-F362 HydrophobicContact CG2-CE1 4.26Å; I360-F362 HydrophobicContact CG2-CE2 3.8Å; I360-F362 HydrophobicContact CG2-CZ 3.54Å |
| 361 | K | 95.2 | Very high | 94.5 | Very high | 83 Ų | 83 | 40.9 Ų | 40.9 | 36% | 0.361 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 147.2 | 173.1 | -172.5 | 176.5 | -179.9 | 176.6 | 0 | 109.4 | R368 I369 | K361-R368 WeakPolarHBondContact O-CA 3.47Å; K361-I369 HydrophobicContact CB-CG1 4.12Å; K361-I369 HydrophobicContact CD-CD1 4.15Å; K361-I369 HydrophobicContact CD-CG1 4.25Å; K361-I369 HydrophobicContact CG-CD1 4.1Å; K361-I369 HydrophobicContact CG-CG1 3.91Å; K361-I369 PolarHBondContact O-N 3.41Å |
| 362 | F | 95.6 | Very high | 94.4 | Very high | 10 Ų | 10 | 44 Ų | 44 | 4% | 0.044 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 153 | -179 | -56 | -74.9 | 0 | 0 | 0 | 112.5 | I126 M128 V306 I360 K367 R368 | I126-F362 HydrophobicContact CG2-CD1 4Å; I126-F362 HydrophobicContact CG2-CD2 4.46Å; I126-F362 HydrophobicContact CG2-CE1 3.55Å; I126-F362 HydrophobicContact CG2-CE2 4.06Å; I126-F362 HydrophobicContact CG2-CG 4.44Å; I126-F362 HydrophobicContact CG2-CZ 3.58Å; M128-F362 HydrophobicContact SD-CE1 4.29Å; M128-F362 HydrophobicContact SD-CZ 3.82Å; V306-F362 HydrophobicContact CG1-CE2 3.87Å; V306-F362 HydrophobicContact CG1-CZ 4.28Å; V306-F362 HydrophobicContact CG2-CE2 4.33Å; V306-F362 HydrophobicContact CG2-CZ 4.41Å; I360-F362 HydrophobicContact CG2-CE1 4.26Å; I360-F362 HydrophobicContact CG2-CE2 3.8Å; I360-F362 HydrophobicContact CG2-CZ 3.54Å; F362-K367 CarbonylContact C-O 3.51Å; F362-K367 VanDerWaalsContact CA-O 3.25Å; F362-K367 WeakPolarHBondContact CA-O 3.48Å; F362-R368 HydrophobicContact CE1-CG 4.33Å |
| 363 | D | 93.2 | Very high | 94.4 | Very high | 39 Ų | 39 | 38.6 Ų | 38.6 | 21% | 0.209 | 20% | 0.197 | C | C | . | . | trans | -82.7 | -175.2 | 167.2 | 80.2 | -15.9 | 0 | 0 | 0 | 111.7 | N365 G366 K367 I369 | D363-N365 PolarHBondContact O-N 3.12Å; D363-N365 VanDerWaalsContact O-N 3.15Å; D363-N365 VanDerWaalsContact OD1-C 3.26Å; D363-N365 VanDerWaalsContact OD1-CA 3.28Å; D363-N365 WeakPolarHBondContact OD1-CA 3.47Å; D363-N365 WeakPolarHBondContact OD1-CB 3.42Å; D363-N365 PolarHBondContact OD1-N 2.94Å; D363-N365 PolarHBondContact OD2-ND2 2.84Å; D363-G366 PolarHBondContact O-N 3.04Å; D363-G366 PolarHBondContact OD1-N 3.34Å; D363-K367 PolarHBondContact N-O 2.84Å; D363-K367 PolarHBondContact OD1-N 3.14Å; D363-I369 HydrophobicContact CB-CD1 4.49Å; D363-I369 HydrophobicContact CB-CG2 4.01Å | ||
| 364 | Q | 93.2 | Very high | 94.4 | Very high | 171 Ų | 171 | 38 Ų | 38 | 80% | 0.799 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -13.7 | 176.8 | -62 | 175.6 | 11.8 | 0 | 0 | 113.5 | K349 | K349-Q364 VanDerWaalsContact CE-O 3.24Å; K349-Q364 WeakPolarHBondContact CE-O 3.48Å; K349-Q364 PolarHBondContact NZ-O 2.84Å |
| 365 | N | 92.6 | Very high | 94.4 | Very high | 51 Ų | 51 | 33.2 Ų | 33.2 | 27% | 0.273 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | -1 | -178.3 | -53 | -60.4 | 0 | 0 | 0 | 112.9 | T121 D363 | T121-N365 HydrophobicContact CG2-CB 4.28Å; D363-N365 PolarHBondContact O-N 3.12Å; D363-N365 VanDerWaalsContact O-N 3.15Å; D363-N365 VanDerWaalsContact OD1-C 3.26Å; D363-N365 VanDerWaalsContact OD1-CA 3.28Å; D363-N365 WeakPolarHBondContact OD1-CA 3.47Å; D363-N365 WeakPolarHBondContact OD1-CB 3.42Å; D363-N365 PolarHBondContact OD1-N 2.94Å; D363-N365 PolarHBondContact OD2-ND2 2.84Å |
| 366 | G | 93.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 82.3 | 14.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q127 D363 | Q127-G366 PolarHBondContact N-O 3.19Å; D363-G366 PolarHBondContact O-N 3.04Å; D363-G366 PolarHBondContact OD1-N 3.34Å |
| 367 | K | 93.7 | Very high | 94.2 | Very high | 66 Ų | 66 | 35.1 Ų | 35.1 | 29% | 0.287 | 18% | 0.18 | S | C | . | . | trans | -82.4 | 143.3 | 171.5 | -62.9 | -175.1 | 179.6 | -178 | 0 | 110.7 | G120 F362 D363 I369 | G120-K367 WeakPolarHBondContact O-CE 3.41Å; G120-K367 PolarHBondContact O-NZ 2.8Å; F362-K367 CarbonylContact C-O 3.51Å; F362-K367 VanDerWaalsContact CA-O 3.25Å; F362-K367 WeakPolarHBondContact CA-O 3.48Å; D363-K367 PolarHBondContact N-O 2.84Å; D363-K367 PolarHBondContact OD1-N 3.14Å; K367-I369 PolarHBondContact O-N 2.92Å | ||
| 368 | R | 94.2 | Very high | 94.1 | Very high | 11 Ų | 11 | 35.6 Ų | 35.6 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 132.4 | 172 | -79 | -69.4 | -55.9 | -92.7 | 6.2 | 111.1 | Q127 M128 P130 S357 N359 K361 F362 Y371 | Q127-R368 WeakPolarHBondContact O-CG 3.22Å; M128-R368 VanDerWaalsContact O-CG 3.31Å; M128-R368 WeakPolarHBondContact O-CG 3.45Å; P130-R368 HydrophobicContact CB-CB 4.24Å; P130-R368 HydrophobicContact CG-CB 4.3Å; P130-R368 HydrophobicContact CG-CG 4.22Å; S357-R368 PolarHBondContact OG-NH1 3.37Å; S357-R368 VanDerWaalsContact OG-NH1 3.09Å; N359-R368 PolarHBondContact O-NH2 3.46Å; K361-R368 WeakPolarHBondContact O-CA 3.47Å; F362-R368 HydrophobicContact CE1-CG 4.33Å; R368-Y371 HydrophobicContact CB-CD1 4Å; R368-Y371 HydrophobicContact CB-CE1 4.45Å; R368-Y371 VanDerWaalsContact NH2-CB 3.32Å; R368-Y371 VanDerWaalsContact O-CE1 3.29Å; R368-Y371 WeakPolarHBondContact O-CE1 3.36Å |
| 369 | I | 94.1 | Very high | 93.8 | Very high | 43 Ų | 43 | 38.1 Ų | 38.1 | 22% | 0.221 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 164.4 | 169.6 | 59.2 | 172.2 | 0 | 0 | 0 | 109.6 | K361 D363 K367 Y371 | K361-I369 HydrophobicContact CB-CG1 4.12Å; K361-I369 HydrophobicContact CD-CD1 4.15Å; K361-I369 HydrophobicContact CD-CG1 4.25Å; K361-I369 HydrophobicContact CG-CD1 4.1Å; K361-I369 HydrophobicContact CG-CG1 3.91Å; K361-I369 PolarHBondContact O-N 3.41Å; D363-I369 HydrophobicContact CB-CD1 4.49Å; D363-I369 HydrophobicContact CB-CG2 4.01Å; K367-I369 PolarHBondContact O-N 2.92Å; I369-Y371 VanDerWaalsContact C-N 3.25Å; I369-Y371 PolarHBondContact O-N 3.44Å |
| 370 | N | 92.9 | Very high | 93.4 | Very high | 78 Ų | 78 | 42 Ų | 42 | 42% | 0.417 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 52.5 | 43.4 | -179.8 | -161.7 | 37.2 | 0 | 0 | 0 | 113.4 | N359 | N359-N370 PolarHBondContact ND2-ND2 2.92Å; N359-N370 PolarHBondContact ND2-O 3.44Å |
| 371 | Y | 94.1 | Very high | 92.9 | Very high | 11 Ų | 11 | 48.4 Ų | 48.4 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | trans | -103.9 | 155.7 | 175.4 | 59.2 | -89.9 | 0 | 0 | 0 | 109.9 | P130 D131 R368 I369 I373 W389 | P130-Y371 HydrophobicContact CB-CD1 3.88Å; P130-Y371 HydrophobicContact CB-CD2 3.36Å; P130-Y371 HydrophobicContact CB-CE1 3.99Å; P130-Y371 HydrophobicContact CB-CE2 3.43Å; P130-Y371 VanDerWaalsContact CB-CE2 3.43Å; P130-Y371 HydrophobicContact CB-CG 3.59Å; P130-Y371 HydrophobicContact CG-CD2 3.97Å; P130-Y371 HydrophobicContact CG-CE2 4.5Å; P130-Y371 HydrophobicContact CG-CG 3.97Å; D131-Y371 PolarHBondContact O-OH 3.48Å; D131-Y371 VanDerWaalsContact O-OH 3.1Å; R368-Y371 HydrophobicContact CB-CD1 4Å; R368-Y371 HydrophobicContact CB-CE1 4.45Å; R368-Y371 VanDerWaalsContact NH2-CB 3.32Å; R368-Y371 VanDerWaalsContact O-CE1 3.29Å; R368-Y371 WeakPolarHBondContact O-CE1 3.36Å; I369-Y371 VanDerWaalsContact C-N 3.25Å; I369-Y371 PolarHBondContact O-N 3.44Å; Y371-I373 HydrophobicContact CD2-CD1 4.09Å; Y371-I373 HydrophobicContact CD2-CG1 3.92Å; Y371-I373 HydrophobicContact CE2-CD1 3.71Å; Y371-I373 HydrophobicContact CE2-CG1 4.05Å; Y371-W389 HydrophobicContact CE2-CE3 4.19Å; Y371-W389 AromaticContact CE2-CZ3 3.59Å; Y371-W389 HydrophobicContact CE2-CZ3 3.59Å; Y371-W389 AromaticContact CZ-CZ3 3.84Å | ||
| 372 | T | 93.9 | Very high | 92.5 | Very high | 67 Ų | 67 | 44.8 Ų | 44.8 | 41% | 0.411 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 130.6 | 178 | -59.1 | 0 | 0 | 0 | 0 | 109 | I262 Y388 W389 | I262-T372 WeakPolarHBondContact CD1-O 3.46Å; T372-Y388 HydrophobicContact CG2-CD2 3.87Å; T372-Y388 HydrophobicContact CG2-CG 4.06Å; T372-W389 WeakPolarHBondContact CA-O 3.31Å |
| 373 | I | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 123 | 175.4 | -64.2 | 176.3 | 0 | 0 | 0 | 108.3 | L132 A135 L240 F260 I262 Y371 Y388 W389 | L132-I373 HydrophobicContact CD1-CD1 4.27Å; A135-I373 HydrophobicContact CB-CD1 4Å; L240-I373 HydrophobicContact CD2-CD1 3.94Å; L240-I373 HydrophobicContact CD2-CG1 4.32Å; F260-I373 HydrophobicContact CB-CG2 3.66Å; F260-I373 HydrophobicContact CD1-CG2 3.93Å; F260-I373 HydrophobicContact CG-CG2 4.22Å; I262-I373 HydrophobicContact CD1-CG1 4.34Å; Y371-I373 HydrophobicContact CD2-CD1 4.09Å; Y371-I373 HydrophobicContact CD2-CG1 3.92Å; Y371-I373 HydrophobicContact CE2-CD1 3.71Å; Y371-I373 HydrophobicContact CE2-CG1 4.05Å; I373-Y388 CarbonylContact O-C 3.57Å; I373-Y388 WeakPolarHBondContact O-CA 3.11Å; I373-W389 HydrophobicContact CB-CB 4.46Å; I373-W389 HydrophobicContact CD1-CE3 4.34Å; I373-W389 PolarHBondContact N-O 3.25Å; I373-W389 PolarHBondContact O-N 3.21Å |
| 374 | N | 95.3 | Very high | 92.1 | Very high | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.048 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 135.4 | 175.4 | -64.8 | -30.6 | 0 | 0 | 0 | 110.2 | F260 Q261 D264 M376 K385 | F260-N374 WeakPolarHBondContact CA-O 3.45Å; Q261-N374 HydrophobicContact CB-CB 4.38Å; Q261-N374 PolarHBondContact N-O 3.47Å; Q261-N374 WeakPolarHBondContact O-CB 3.5Å; Q261-N374 PolarHBondContact O-N 2.92Å; D264-N374 VanDerWaalsContact CG-ND2 3.3Å; D264-N374 PolarHBondContact OD2-ND2 2.97Å; N374-M376 HydrophobicContact CB-SD 4.37Å; N374-K385 HydrophobicContact CB-CD 4.36Å; N374-K385 HydrophobicContact CB-CG 4.42Å; N374-K385 PolarHBondContact ND2-NZ 3.15Å; N374-K385 WeakPolarHBondContact OD1-CE 3.49Å; N374-K385 PolarHBondContact OD1-NZ 2.76Å |
| 375 | I | 95.3 | Very high | 92 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 123.7 | 170.5 | -56.6 | 90.4 | 0 | 0 | 0 | 108.1 | L139 F260 I386 G387 W389 M395 | L139-I375 HydrophobicContact CD1-CG2 3.74Å; L139-I375 HydrophobicContact CD2-CG2 4.4Å; F260-I375 HydrophobicContact CD1-CG1 4.41Å; F260-I375 HydrophobicContact CE1-CG1 4.46Å; I375-I386 HydrophobicContact CB-CD1 4.37Å; I375-I386 HydrophobicContact CB-CG1 3.91Å; I375-I386 HydrophobicContact CG2-CD1 3.67Å; I375-I386 HydrophobicContact CG2-CG1 3.7Å; I375-I386 WeakPolarHBondContact O-CG1 3.38Å; I375-I386 PolarHBondContact O-N 3.33Å; I375-G387 PolarHBondContact N-O 2.71Å; I375-W389 HydrophobicContact CD1-CB 4.03Å; I375-M395 HydrophobicContact CB-CE 4.34Å; I375-M395 HydrophobicContact CD1-CE 4.11Å; I375-M395 HydrophobicContact CD1-CG 4Å; I375-M395 HydrophobicContact CD1-SD 4.36Å; I375-M395 HydrophobicContact CG1-CE 4.01Å; I375-M395 HydrophobicContact CG1-SD 4.43Å; I375-M395 HydrophobicContact CG2-CE 4.24Å |
| 376 | M | 93.4 | Very high | 91.9 | Very high | 22 Ų | 22 | 46.1 Ų | 46.1 | 11% | 0.108 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 142.4 | -179 | -56.8 | -59.6 | -74.4 | 0 | 0 | 110.3 | F242 S258 G259 Q261 N374 P383 R384 K385 | F242-M376 HydrophobicContact CB-CB 4.48Å; F242-M376 HydrophobicContact CD1-CB 3.43Å; F242-M376 VanDerWaalsContact CD1-CB 3.43Å; F242-M376 HydrophobicContact CD1-CG 4.22Å; F242-M376 HydrophobicContact CE1-CB 3.86Å; F242-M376 HydrophobicContact CG-CB 4.12Å; S258-M376 CarbonylContact C-O 3.58Å; S258-M376 VanDerWaalsContact CA-O 3.3Å; S258-M376 WeakPolarHBondContact CA-O 3.45Å; G259-M376 PolarHBondContact N-O 3.33Å; G259-M376 PolarHBondContact O-N 3.1Å; Q261-M376 HydrophobicContact CB-CG 3.55Å; Q261-M376 HydrophobicContact CB-SD 4.34Å; N374-M376 HydrophobicContact CB-SD 4.37Å; M376-P383 HydrophobicContact CE-CB 4.18Å; M376-R384 WeakPolarHBondContact CA-O 3.35Å; M376-K385 HydrophobicContact CE-CB 4.27Å; M376-K385 WeakPolarHBondContact SD-CA 3.42Å; M376-K385 HydrophobicContact SD-CB 3.67Å; M376-K385 HydrophobicContact SD-CG 4.18Å |
| 377 | E | 92.6 | Very high | 91.8 | Very high | 21 Ų | 21 | 46.1 Ų | 46.1 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138 | 170.6 | -160.2 | -171.4 | 164.8 | 0 | 0 | 109.7 | V257 K379 R384 I386 | V257-E377 WeakPolarHBondContact O-CA 3.34Å; E377-K379 VanDerWaalsContact CD-CE 3.43Å; E377-K379 PolarHBondContact O-N 2.73Å; E377-K379 IonicContact OE1-NZ 2.84Å; E377-K379 PolarHBondContact OE1-NZ 3.43Å; E377-K379 WeakPolarHBondContact OE2-CE 3.32Å; E377-K379 IonicContact OE2-NZ 3.7Å; E377-K379 PolarHBondContact OE2-NZ 3.05Å; E377-R384 PolarHBondContact N-O 3.24Å; E377-R384 PolarHBondContact O-N 3.4Å; E377-I386 HydrophobicContact CB-CG2 3.91Å |
| 378 | L | 92.4 | Very high | 91.9 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 119.8 | 174.4 | -173.1 | 61.4 | 0 | 0 | 0 | 109.7 | F242 L247 I250 Q251 V257 | F242-L378 HydrophobicContact CE1-CB 4.5Å; F242-L378 HydrophobicContact CZ-CB 4.1Å; L247-L378 HydrophobicContact CB-CD1 4.11Å; L247-L378 HydrophobicContact CB-CD2 4.23Å; L247-L378 HydrophobicContact CD1-CD1 4.34Å; I250-L378 HydrophobicContact CD1-CD2 4.38Å; I250-L378 HydrophobicContact CG1-CD2 3.8Å; Q251-L378 HydrophobicContact CB-CD1 4.49Å; Q251-L378 HydrophobicContact CB-CD2 4.29Å; Q251-L378 HydrophobicContact CG-CD1 4.38Å; V257-L378 HydrophobicContact CB-CB 3.99Å; V257-L378 HydrophobicContact CB-CD2 4.22Å; V257-L378 HydrophobicContact CG2-CD2 4.28Å; V257-L378 PolarHBondContact O-N 2.86Å |
| 379 | K | 88.3 | Confident | 91.9 | Very high | 78 Ų | 78 | 46.5 Ų | 46.5 | 34% | 0.339 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 174.3 | 173.3 | -62.5 | -59.4 | -174.3 | -169.8 | 0 | 110 | E377 N381 G382 R384 | E377-K379 VanDerWaalsContact CD-CE 3.43Å; E377-K379 PolarHBondContact O-N 2.73Å; E377-K379 IonicContact OE1-NZ 2.84Å; E377-K379 PolarHBondContact OE1-NZ 3.43Å; E377-K379 WeakPolarHBondContact OE2-CE 3.32Å; E377-K379 IonicContact OE2-NZ 3.7Å; E377-K379 PolarHBondContact OE2-NZ 3.05Å; K379-N381 VanDerWaalsContact CB-OD1 3.27Å; K379-N381 WeakPolarHBondContact CB-OD1 3.36Å; K379-N381 PolarHBondContact O-N 2.88Å; K379-G382 PolarHBondContact N-O 3.34Å; K379-G382 PolarHBondContact O-N 3.13Å; K379-R384 HydrophobicContact CG-CB 4.41Å |
| 380 | T | 85.8 | Confident | 91.9 | Very high | 106 Ų | 106 | 44.8 Ų | 44.8 | 65% | 0.65 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -25.8 | -179.6 | -47.5 | 0 | 0 | 0 | 0 | 113.3 | Q251 F252 | Q251-T380 PolarHBondContact NE2-O 2.8Å; F252-T380 HydrophobicContact CD1-CG2 4.27Å; F252-T380 HydrophobicContact CE1-CG2 3.99Å |
| 381 | N | 86.1 | Confident | 91.5 | Very high | 135 Ų | 135 | 45.9 Ų | 45.9 | 72% | 0.722 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -1.5 | 174.5 | 63.1 | -27.6 | 0 | 0 | 0 | 113.8 | K379 | K379-N381 VanDerWaalsContact CB-OD1 3.27Å; K379-N381 WeakPolarHBondContact CB-OD1 3.36Å; K379-N381 PolarHBondContact O-N 2.88Å |
| 382 | G | 87.5 | Confident | 91.1 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 8% | 0.082 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 119.9 | -169.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | K379 | K379-G382 PolarHBondContact N-O 3.34Å; K379-G382 PolarHBondContact O-N 3.13Å |
| 383 | P | 90.6 | Very high | 90.8 | Very high | 63 Ų | 63 | 51.9 Ų | 51.9 | 41% | 0.409 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 133 | 177.3 | 29.4 | -34.2 | 0 | 0 | 0 | 110.6 | F242 T243 M376 | F242-P383 HydrophobicContact CD1-CB 4.33Å; F242-P383 HydrophobicContact CE1-CB 4.09Å; T243-P383 HydrophobicContact CG2-CB 3.91Å; T243-P383 HydrophobicContact CG2-CG 3.79Å; M376-P383 HydrophobicContact CE-CB 4.18Å |
| 384 | R | 89.4 | Confident | 90.5 | Very high | 137 Ų | 137 | 58.3 Ų | 58.3 | 52% | 0.517 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 136.2 | 178 | -174.3 | 179.3 | 179.3 | -179.4 | 1.4 | 110.5 | M376 E377 K379 | M376-R384 WeakPolarHBondContact CA-O 3.35Å; E377-R384 PolarHBondContact N-O 3.24Å; E377-R384 PolarHBondContact O-N 3.4Å; K379-R384 HydrophobicContact CG-CB 4.41Å |
| 385 | K | 91.6 | Very high | 90.3 | Very high | 73 Ų | 73 | 59.5 Ų | 59.5 | 32% | 0.317 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 124.5 | 171.6 | -174 | 174.9 | 179.7 | 169.8 | 0 | 109.9 | D264 N374 M376 | D264-K385 IonicContact OD2-NZ 3.01Å; D264-K385 PolarHBondContact OD2-NZ 2.84Å; N374-K385 HydrophobicContact CB-CD 4.36Å; N374-K385 HydrophobicContact CB-CG 4.42Å; N374-K385 PolarHBondContact ND2-NZ 3.15Å; N374-K385 WeakPolarHBondContact OD1-CE 3.49Å; N374-K385 PolarHBondContact OD1-NZ 2.76Å; M376-K385 HydrophobicContact CE-CB 4.27Å; M376-K385 WeakPolarHBondContact SD-CA 3.42Å; M376-K385 HydrophobicContact SD-CB 3.67Å; M376-K385 HydrophobicContact SD-CG 4.18Å |
| 386 | I | 89.9 | Confident | 90.1 | Very high | 25 Ų | 25 | 61.7 Ų | 61.7 | 13% | 0.128 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -16.8 | 176.2 | 64.2 | 168.2 | 0 | 0 | 0 | 112.4 | Y142 I375 E377 M395 V397 T398 | Y142-I386 HydrophobicContact CE1-CD1 4.39Å; I375-I386 HydrophobicContact CB-CD1 4.37Å; I375-I386 HydrophobicContact CB-CG1 3.91Å; I375-I386 HydrophobicContact CG2-CD1 3.67Å; I375-I386 HydrophobicContact CG2-CG1 3.7Å; I375-I386 WeakPolarHBondContact O-CG1 3.38Å; I375-I386 PolarHBondContact O-N 3.33Å; E377-I386 HydrophobicContact CB-CG2 3.91Å; I386-M395 HydrophobicContact CD1-CE 4.27Å; I386-V397 WeakPolarHBondContact O-CG1 3.46Å; I386-T398 PolarHBondContact O-N 2.86Å |
| 387 | G | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.2 | -170.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I375 V396 | I375-G387 PolarHBondContact N-O 2.71Å; G387-V396 VanDerWaalsContact CA-O 3.26Å; G387-V396 WeakPolarHBondContact CA-O 3.45Å |
| 388 | Y | 94.3 | Very high | 88.9 | Confident | 70 Ų | 70 | 64.8 Ų | 64.8 | 28% | 0.275 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 158.3 | 176.5 | 68.2 | -89.6 | 0 | 0 | 0 | 111.1 | T372 I373 V396 T398 | T372-Y388 HydrophobicContact CG2-CD2 3.87Å; T372-Y388 HydrophobicContact CG2-CG 4.06Å; I373-Y388 CarbonylContact O-C 3.57Å; I373-Y388 WeakPolarHBondContact O-CA 3.11Å; Y388-V396 HydrophobicContact CD1-CB 4.44Å; Y388-V396 HydrophobicContact CE1-CB 3.91Å; Y388-V396 HydrophobicContact CE1-CG1 3.99Å; Y388-V396 HydrophobicContact CE2-CB 4.11Å; Y388-V396 HydrophobicContact CE2-CG2 4.22Å; Y388-V396 PolarHBondContact N-O 3.09Å; Y388-V396 PolarHBondContact O-N 2.84Å; Y388-T398 WeakPolarHBondContact CD1-OG1 3.32Å |
| 389 | W | 95.7 | Very high | 87.1 | Confident | 16 Ų | 16 | 70.9 Ų | 70.9 | 6% | 0.061 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131 | 173 | -174.3 | 90.8 | 0 | 0 | 0 | 109.5 | G134 A135 S138 Y371 T372 I373 I375 E391 K394 | G134-W389 VanDerWaalsContact C-CE2 3.47Å; G134-W389 PolarHBondContact O-NE1 3.25Å; A135-W389 HydrophobicContact CB-CB 4.1Å; A135-W389 HydrophobicContact CB-CD2 3.68Å; A135-W389 HydrophobicContact CB-CE3 3.91Å; A135-W389 HydrophobicContact CB-CG 3.75Å; S138-W389 PolarHBondContact OG-NE1 2.8Å; Y371-W389 HydrophobicContact CE2-CE3 4.19Å; Y371-W389 AromaticContact CE2-CZ3 3.59Å; Y371-W389 HydrophobicContact CE2-CZ3 3.59Å; Y371-W389 AromaticContact CZ-CZ3 3.84Å; T372-W389 WeakPolarHBondContact CA-O 3.31Å; I373-W389 HydrophobicContact CB-CB 4.46Å; I373-W389 HydrophobicContact CD1-CE3 4.34Å; I373-W389 PolarHBondContact N-O 3.25Å; I373-W389 PolarHBondContact O-N 3.21Å; I375-W389 HydrophobicContact CD1-CB 4.03Å; W389-E391 HydrophobicContact CH2-CB 4.33Å; W389-E391 HydrophobicContact CZ3-CB 4.49Å; W389-K394 VanDerWaalsContact CA-O 3.29Å; W389-K394 WeakPolarHBondContact CA-O 3.36Å |
| 390 | S | 92.6 | Very high | 85.1 | Confident | 7 Ų | 7 | 71.7 Ų | 71.7 | 5% | 0.049 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 151.1 | 173.4 | 175.2 | 0 | 0 | 0 | 0 | 109.1 | V392 K394 | S390-V392 PolarHBondContact O-N 3.28Å; S390-V392 WeakPolarHBondContact OG-CG2 3.43Å; S390-K394 PolarHBondContact N-O 3.22Å; S390-K394 VanDerWaalsContact O-CA 3.27Å; S390-K394 WeakPolarHBondContact O-CA 3.29Å; S390-K394 PolarHBondContact O-N 3.37Å |
| 391 | E | 85 | Confident | 82.7 | Confident | 101 Ų | 101 | 74.3 Ų | 74.3 | 47% | 0.472 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -33.3 | 178.7 | -172.1 | 179.1 | -175.3 | 0 | 0 | 112.2 | W389 | W389-E391 HydrophobicContact CH2-CB 4.33Å; W389-E391 HydrophobicContact CZ3-CB 4.49Å |
| 392 | V | 86.6 | Confident | 80.1 | Confident | 112 Ų | 112 | 73.9 Ų | 73.9 | 68% | 0.679 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -46 | -179.3 | -68.6 | 0 | 0 | 0 | 0 | 112.9 | S390 K394 | S390-V392 PolarHBondContact O-N 3.28Å; S390-V392 WeakPolarHBondContact OG-CG2 3.43Å; V392-K394 VanDerWaalsContact C-N 3.34Å |
| 393 | D | 87.3 | Confident | 77.4 | Confident | 92 Ų | 92 | 76.7 Ų | 76.7 | 49% | 0.492 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -8.8 | -172.5 | -55.6 | -39.6 | 0 | 0 | 0 | 112.9 | V396 | D393-V396 HydrophobicContact CB-CG2 3.83Š|
| 394 | K | 89.5 | Confident | 74.5 | Confident | 134 Ų | 134 | 79.9 Ų | 79.9 | 58% | 0.583 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 56 | -141.1 | -165.8 | -53.5 | -177 | 177.7 | -174 | 0 | 110 | W389 S390 V392 | W389-K394 VanDerWaalsContact CA-O 3.29Å; W389-K394 WeakPolarHBondContact CA-O 3.36Å; S390-K394 PolarHBondContact N-O 3.22Å; S390-K394 VanDerWaalsContact O-CA 3.27Å; S390-K394 WeakPolarHBondContact O-CA 3.29Å; S390-K394 PolarHBondContact O-N 3.37Å; V392-K394 VanDerWaalsContact C-N 3.34Å |
| 395 | M | 89.8 | Confident | 71.5 | Confident | 34 Ų | 34 | 76.8 Ų | 76.8 | 17% | 0.167 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 119.6 | -178.8 | -174.6 | 170.1 | 175.3 | 0 | 0 | 110.8 | L139 Y142 I375 I386 | L139-M395 HydrophobicContact CD1-CE 3.77Å; L139-M395 HydrophobicContact CD1-SD 4.02Å; Y142-M395 HydrophobicContact CD1-CE 3.66Å; Y142-M395 HydrophobicContact CD1-SD 4.29Å; Y142-M395 HydrophobicContact CD2-CE 4.11Å; Y142-M395 HydrophobicContact CD2-SD 4.31Å; Y142-M395 HydrophobicContact CE1-CE 4.06Å; Y142-M395 HydrophobicContact CE2-CE 4.49Å; Y142-M395 HydrophobicContact CG-CE 3.69Å; Y142-M395 HydrophobicContact CG-SD 3.81Å; I375-M395 HydrophobicContact CB-CE 4.34Å; I375-M395 HydrophobicContact CD1-CE 4.11Å; I375-M395 HydrophobicContact CD1-CG 4Å; I375-M395 HydrophobicContact CD1-SD 4.36Å; I375-M395 HydrophobicContact CG1-CE 4.01Å; I375-M395 HydrophobicContact CG1-SD 4.43Å; I375-M395 HydrophobicContact CG2-CE 4.24Å; I386-M395 HydrophobicContact CD1-CE 4.27Å |
| 396 | V | 91.3 | Very high | 68.6 | Low | 49 Ų | 49 | 79.2 Ų | 79.2 | 30% | 0.297 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 120.7 | 174 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | G387 Y388 D393 T398 | G387-V396 VanDerWaalsContact CA-O 3.26Å; G387-V396 WeakPolarHBondContact CA-O 3.45Å; Y388-V396 HydrophobicContact CD1-CB 4.44Å; Y388-V396 HydrophobicContact CE1-CB 3.91Å; Y388-V396 HydrophobicContact CE1-CG1 3.99Å; Y388-V396 HydrophobicContact CE2-CB 4.11Å; Y388-V396 HydrophobicContact CE2-CG2 4.22Å; Y388-V396 PolarHBondContact N-O 3.09Å; Y388-V396 PolarHBondContact O-N 2.84Å; D393-V396 HydrophobicContact CB-CG2 3.83Å; V396-T398 PolarHBondContact O-N 2.9Å |
| 397 | V | 85.9 | Confident | 65.9 | Low | 58 Ų | 58 | 82.6 Ų | 82.6 | 35% | 0.352 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 114.9 | 176.3 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | Y142 I386 L399 | Y142-V397 HydrophobicContact CD2-CG2 4.26Å; Y142-V397 HydrophobicContact CE2-CG2 3.58Å; I386-V397 WeakPolarHBondContact O-CG1 3.46Å; V397-L399 HydrophobicContact CG1-CG 4.22Å; V397-L399 PolarHBondContact O-N 3.42Å |
| 398 | T | 75 | Confident | 63.4 | Low | 50 Ų | 50 | 87.1 Ų | 87.1 | 31% | 0.307 | 49% | 0.491 | S | S | . | . | trans | -88.6 | 93.3 | 173.3 | -32.3 | 0 | 0 | 0 | 0 | 106.8 | I386 Y388 V396 T400 | I386-T398 PolarHBondContact O-N 2.86Å; Y388-T398 WeakPolarHBondContact CD1-OG1 3.32Å; V396-T398 PolarHBondContact O-N 2.9Å; T398-T400 WeakPolarHBondContact CG2-OG1 3.3Å; T398-T400 PolarHBondContact O-N 3.09Å | ||
| 399 | L | 55.7 | Low | 60.7 | Low | 140 Ų | 140 | 85.2 Ų | 85.2 | 73% | 0.733 | 49% | 0.488 | S | S | * | . | trans | -71.3 | 60.2 | 163.2 | -70.7 | 163.5 | 0 | 0 | 0 | 108.1 | V397 E401 | V397-L399 HydrophobicContact CG1-CG 4.22Å; V397-L399 PolarHBondContact O-N 3.42Å; L399-E401 PolarHBondContact O-N 3.41Å | ||
| 400 | T | 44.9 | Very low | 58.4 | Low | 96 Ų | 96 | 87 Ų | 87 | 59% | 0.589 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 107.4 | 173.6 | -22.5 | 0 | 0 | 0 | 0 | 107 | T398 | T398-T400 WeakPolarHBondContact CG2-OG1 3.3Å; T398-T400 PolarHBondContact O-N 3.09Å |
| 401 | E | 36.4 | Very low | 56.4 | Low | 161 Ų | 161 | 90.1 Ų | 90.1 | 75% | 0.752 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 82.7 | 176.1 | -57.5 | -174.2 | -174 | 0 | 0 | 114.2 | L399 P403 | L399-E401 PolarHBondContact O-N 3.41Å; E401-P403 VanDerWaalsContact O-CD 3.25Å; E401-P403 WeakPolarHBondContact O-CD 3.46Å |
| 402 | L | 31.6 | Very low | 54.8 | Low | 125 Ų | 125 | 89.7 Ų | 89.7 | 65% | 0.654 | 53% | 0.525 | S | S | * | . | -38.5 | 112.9 | 121.8 | -80.1 | 144.7 | 0 | 0 | 0 | 107.3 | S404 | L402-S404 PolarHBondContact O-N 2.95Š| |||
| 403 | P | 30.1 | Very low | 53.5 | Low | 67 Ų | 67 | 89.9 Ų | 89.9 | 44% | 0.435 | 52% | 0.523 | S | S | . | . | trans | -56.3 | 116 | 156.7 | -7.9 | 22.7 | 0 | 0 | 0 | 103.7 | E401 G405 D407 | E401-P403 VanDerWaalsContact O-CD 3.25Å; E401-P403 WeakPolarHBondContact O-CD 3.46Å; P403-G405 PolarHBondContact O-N 3.01Å; P403-D407 WeakPolarHBondContact CD-OD2 3.43Å | ||
| 404 | S | 29.5 | Very low | 52.7 | Low | 131 Ų | 131 | 91 Ų | 91 | 92% | 0.916 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.8 | 105 | 172.7 | -66.1 | 0 | 0 | 0 | 0 | 108.3 | L402 | L402-S404 PolarHBondContact O-N 2.95Š|
| 405 | G | 27.3 | Very low | 52.5 | Low | 72 Ų | 72 | 87.9 Ų | 87.9 | 74% | 0.742 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.9 | 7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | P403 | P403-G405 PolarHBondContact O-N 3.01Š|
| 406 | N | 31 | Very low | 52.6 | Low | 123 Ų | 123 | 86.5 Ų | 86.5 | 66% | 0.658 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.2 | 3.8 | -176.6 | -113.3 | -1.3 | 0 | 0 | 0 | 120.6 | T408 S409 | N406-T408 VanDerWaalsContact C-N 3.31Å; N406-T408 PolarHBondContact O-N 3.4Å; N406-S409 WeakPolarHBondContact O-CB 3.33Å; N406-S409 PolarHBondContact O-N 3.17Å; N406-S409 PolarHBondContact O-OG 2.94Å |
| 407 | D | 32.5 | Very low | 52.7 | Low | 97 Ų | 97 | 85.6 Ų | 85.6 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 35.9 | -174.5 | -78.1 | 0.4 | 0 | 0 | 0 | 115.8 | P403 S409 | P403-D407 WeakPolarHBondContact CD-OD2 3.43Å; D407-S409 PolarHBondContact OD1-OG 2.83Å |
| 408 | T | 39.3 | Very low | 53.2 | Low | 94 Ų | 94 | 82.9 Ų | 82.9 | 58% | 0.577 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17 | 137.9 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | N406 G410 L411 E412 | N406-T408 VanDerWaalsContact C-N 3.31Å; N406-T408 PolarHBondContact O-N 3.4Å; T408-G410 VanDerWaalsContact C-N 3.27Å; T408-G410 PolarHBondContact O-N 3.17Å; T408-L411 PolarHBondContact O-N 3.22Å; T408-L411 VanDerWaalsContact O-N 3.14Å; T408-E412 WeakPolarHBondContact CB-OE1 3.13Å; T408-E412 WeakPolarHBondContact O-CG 3.33Å; T408-E412 PolarHBondContact O-N 3.16Å; T408-E412 PolarHBondContact OG1-OE1 3.46Å |
| 409 | S | 37.8 | Very low | 54.3 | Low | 30 Ų | 30 | 80.5 Ų | 80.5 | 21% | 0.21 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -57.9 | -27.7 | 180 | 75.2 | 0 | 0 | 0 | 0 | 115.3 | N406 D407 L411 E412 N413 | N406-S409 WeakPolarHBondContact O-CB 3.33Å; N406-S409 PolarHBondContact O-N 3.17Å; N406-S409 PolarHBondContact O-OG 2.94Å; D407-S409 PolarHBondContact OD1-OG 2.83Å; S409-L411 PolarHBondContact O-N 3.25Å; S409-E412 PolarHBondContact O-N 3.4Å; S409-N413 PolarHBondContact O-N 3.11Å |
| 410 | G | 47.8 | Very low | 56.2 | Low | 55 Ų | 55 | 73.9 Ų | 73.9 | 57% | 0.567 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.6 | -30.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T408 | T408-G410 VanDerWaalsContact C-N 3.27Å; T408-G410 PolarHBondContact O-N 3.17Å |
| 411 | L | 50.3 | Low | 58.6 | Low | 71 Ų | 71 | 70 Ų | 70 | 37% | 0.372 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -86.2 | -37.3 | 171.6 | -156.2 | 76.7 | 0 | 0 | 0 | 111.3 | T408 S409 N413 K414 L763 | T408-L411 PolarHBondContact O-N 3.22Å; T408-L411 VanDerWaalsContact O-N 3.14Å; S409-L411 PolarHBondContact O-N 3.25Å; L411-N413 VanDerWaalsContact C-N 3.31Å; L411-N413 PolarHBondContact O-N 3.15Å; L411-K414 PolarHBondContact O-N 3.35Å; L411-L763 HydrophobicContact CD1-CD2 4.15Å; L411-L763 HydrophobicContact CD2-CD2 4.19Å |
| 412 | E | 51.3 | Low | 61.3 | Low | 92 Ų | 92 | 66.5 Ų | 66.5 | 43% | 0.43 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.6 | -30.9 | -177.4 | -64.9 | 170.5 | -168.1 | 0 | 0 | 113.1 | T408 S409 | T408-E412 WeakPolarHBondContact CB-OE1 3.13Å; T408-E412 WeakPolarHBondContact O-CG 3.33Å; T408-E412 PolarHBondContact O-N 3.16Å; T408-E412 PolarHBondContact OG1-OE1 3.46Å; S409-E412 PolarHBondContact O-N 3.4Å |
| 413 | N | 59.9 | Low | 64.1 | Low | 117 Ų | 117 | 61.6 Ų | 61.6 | 63% | 0.626 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -91.3 | -14.1 | 178.7 | -81.8 | -28.8 | 0 | 0 | 0 | 114.6 | S409 L411 T415 | S409-N413 PolarHBondContact O-N 3.11Å; L411-N413 VanDerWaalsContact C-N 3.31Å; L411-N413 PolarHBondContact O-N 3.15Å; N413-T415 PolarHBondContact O-N 3.36Å |
| 414 | K | 69.6 | Low | 67.1 | Low | 114 Ų | 114 | 60.8 Ų | 60.8 | 50% | 0.496 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -84.5 | 116.1 | -178.7 | -167.5 | 174.6 | -179.2 | 180 | 0 | 110.2 | L411 V416 | L411-K414 PolarHBondContact O-N 3.35Å; K414-V416 PolarHBondContact O-N 3.48Å; K414-V416 VanDerWaalsContact O-N 3.11Å |
| 415 | T | 86.5 | Confident | 70.2 | Confident | 69 Ų | 69 | 54.6 Ų | 54.6 | 42% | 0.423 | 33% | 0.325 | S | S | . | . | trans | -68.2 | 109.9 | 171.8 | -52.6 | 0 | 0 | 0 | 0 | 109.9 | N413 K460 K462 | N413-T415 PolarHBondContact O-N 3.36Å; T415-K460 CarbonylContact C-O 3.59Å; T415-K460 WeakPolarHBondContact CA-O 3.4Å; T415-K462 HydrophobicContact CG2-CB 3.78Å | ||
| 416 | V | 91.4 | Very high | 73.5 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 4% | 0.036 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 125.8 | 177.5 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | K414 V418 F459 K460 Y461 K462 D494 I495 L763 | K414-V416 PolarHBondContact O-N 3.48Å; K414-V416 VanDerWaalsContact O-N 3.11Å; V416-V418 HydrophobicContact CG1-CG2 4.41Å; V416-V418 PolarHBondContact O-N 3.1Å; V416-F459 HydrophobicContact CB-CD2 3.83Å; V416-F459 HydrophobicContact CB-CE2 4.09Å; V416-F459 HydrophobicContact CG1-CD2 4.45Å; V416-F459 HydrophobicContact CG1-CE2 4.28Å; V416-F459 HydrophobicContact CG2-CB 4Å; V416-F459 HydrophobicContact CG2-CD2 3.53Å; V416-F459 HydrophobicContact CG2-CE2 4.16Å; V416-F459 HydrophobicContact CG2-CG 3.84Å; V416-K460 PolarHBondContact N-O 3.11Å; V416-Y461 CarbonylContact O-C 3.01Å; V416-Y461 VanDerWaalsContact O-CA 3.3Å; V416-Y461 WeakPolarHBondContact O-CA 3Å; V416-K462 PolarHBondContact O-N 2.88Å; V416-D494 HydrophobicContact CG1-CB 3.75Å; V416-I495 HydrophobicContact CG1-CB 4.41Å; V416-I495 HydrophobicContact CG1-CG2 3.61Å; V416-L763 HydrophobicContact CG1-CD1 4.11Å; V416-L763 HydrophobicContact CG2-CD1 4.5Å |
| 417 | V | 93.9 | Very high | 76.6 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 107.7 | 176.3 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | T464 A493 D494 I495 | V417-T464 HydrophobicContact CG1-CG2 3.89Å; V417-T464 WeakPolarHBondContact CG1-OG1 3.33Å; V417-A493 HydrophobicContact CG1-CB 4.15Å; V417-D494 PolarHBondContact N-OD2 3.24Å; V417-D494 PolarHBondContact O-N 3.01Å; V417-I495 PolarHBondContact O-N 2.72Å |
| 418 | V | 96.5 | Very high | 79.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 105.8 | -179.6 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | V416 Y461 K462 L463 T464 I495 I497 | V416-V418 HydrophobicContact CG1-CG2 4.41Å; V416-V418 PolarHBondContact O-N 3.1Å; V418-Y461 HydrophobicContact CG2-CD2 4.19Å; V418-Y461 HydrophobicContact CG2-CG 4.37Å; V418-K462 PolarHBondContact N-O 3.16Å; V418-L463 HydrophobicContact CB-CD2 4.02Å; V418-L463 HydrophobicContact CG1-CD2 3.84Å; V418-T464 PolarHBondContact O-N 2.84Å; V418-T464 PolarHBondContact O-OG1 3.14Å; V418-I495 CarbonylContact C-O 3.57Å; V418-I495 WeakPolarHBondContact CA-O 3.31Å; V418-I495 HydrophobicContact CB-CG2 4.1Å; V418-I495 HydrophobicContact CG1-CG2 4.23Å; V418-I495 HydrophobicContact CG2-CG2 3.58Å; V418-I497 HydrophobicContact CG1-CB 3.97Å; V418-I497 HydrophobicContact CG1-CD1 4.15Å; V418-I497 HydrophobicContact CG1-CG1 4Å |
| 419 | T | 97 | Very high | 82.1 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 138.6 | 173.7 | -171.6 | 0 | 0 | 0 | 0 | 111.3 | T464 M484 E487 L488 A493 I495 A496 I497 | T419-T464 WeakPolarHBondContact CA-O 3.43Å; T419-M484 HydrophobicContact CG2-CB 4.12Å; T419-M484 HydrophobicContact CG2-CG 4.27Å; T419-E487 WeakPolarHBondContact CB-OE2 3.16Å; T419-E487 PolarHBondContact OG1-OE2 3.46Å; T419-L488 HydrophobicContact CG2-CD2 4.31Å; T419-A493 HydrophobicContact CG2-CB 3.65Å; T419-I495 PolarHBondContact N-O 3.11Å; T419-A496 HydrophobicContact CG2-CB 3.53Å; T419-A496 WeakPolarHBondContact O-CA 3.49Å; T419-I497 PolarHBondContact O-N 2.86Å |
| 420 | T | 96.5 | Very high | 84.8 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 173.9 | 178.3 | -159.4 | 0 | 0 | 0 | 0 | 111.4 | V427 T464 I465 V466 I497 | T420-V427 HydrophobicContact CG2-CG1 4.22Å; T420-V427 HydrophobicContact CG2-CG2 3.94Å; T420-V427 WeakPolarHBondContact OG1-CG2 3.36Å; T420-T464 PolarHBondContact N-O 3.39Å; T420-I465 HydrophobicContact CG2-CD1 3.83Å; T420-I465 WeakPolarHBondContact O-CA 3.45Å; T420-V466 PolarHBondContact O-N 2.9Å; T420-I497 WeakPolarHBondContact CB-O 2.86Å; T420-I497 PolarHBondContact OG1-O 3.05Å |
| 421 | I | 94 | Very high | 86.8 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 8% | 0.077 | 25% | 0.248 | C | C | . | . | trans | -124.7 | 143.2 | -177.8 | -169.7 | 168.5 | 0 | 0 | 0 | 110.3 | E423 V427 V466 G469 Y471 M484 P499 | I421-E423 PolarHBondContact O-N 3.25Å; I421-E423 VanDerWaalsContact O-N 3.13Å; I421-V427 WeakPolarHBondContact O-CB 3.35Å; I421-V466 HydrophobicContact CB-CG1 4.11Å; I421-V466 HydrophobicContact CD1-CG1 4.38Å; I421-V466 HydrophobicContact CG1-CG1 4.08Å; I421-G469 WeakPolarHBondContact CD1-O 3.44Å; I421-Y471 HydrophobicContact CD1-CE1 4.32Å; I421-Y471 HydrophobicContact CD1-CE2 4.46Å; I421-Y471 HydrophobicContact CG2-CE1 3.89Å; I421-M484 HydrophobicContact CB-CE 4.16Å; I421-M484 HydrophobicContact CB-SD 4.18Å; I421-M484 HydrophobicContact CG2-CE 3.92Å; I421-M484 HydrophobicContact CG2-SD 4.33Å; I421-P499 HydrophobicContact CG2-CG 4.33Å | ||
| 422 | L | 93.2 | Very high | 88.8 | Confident | 87 Ų | 87 | 49.8 Ų | 49.8 | 46% | 0.455 | 25% | 0.25 | S | C | . | . | trans | -74.3 | 100.3 | 175.5 | -67.2 | 177.5 | 0 | 0 | 0 | 110.2 | V427 M429 Y442 I465 | L422-V427 HydrophobicContact CD2-CG1 4.01Å; L422-M429 HydrophobicContact CD2-CG 4.33Å; L422-M429 HydrophobicContact CD2-SD 4.23Å; L422-Y442 HydrophobicContact CD2-CD1 4.33Å; L422-Y442 HydrophobicContact CD2-CE1 4.33Å; L422-I465 HydrophobicContact CD2-CD1 3.83Å; L422-I465 HydrophobicContact CD2-CG1 4.47Å; L422-I465 HydrophobicContact CG-CD1 4.02Å; L422-I465 HydrophobicContact CG-CG1 4.38Å; L422-I465 HydrophobicContact CG-CG2 4.24Å | ||
| 423 | E | 91.3 | Very high | 90.7 | Very high | 23 Ų | 23 | 48.6 Ų | 48.6 | 11% | 0.107 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -145.9 | 127.1 | 174.2 | -167.9 | 174.4 | -128.5 | 0 | 0 | 110.1 | I421 Y426 V427 Y471 T707 M729 | I421-E423 PolarHBondContact O-N 3.25Å; I421-E423 VanDerWaalsContact O-N 3.13Å; E423-Y426 HydrophobicContact CB-CD2 4.19Å; E423-Y426 HydrophobicContact CG-CD2 4.16Å; E423-Y426 WeakPolarHBondContact O-CA 3.48Å; E423-Y426 WeakPolarHBondContact O-CB 3.43Å; E423-Y426 PolarHBondContact O-N 2.96Å; E423-V427 CarbonylContact C-O 3.48Å; E423-V427 PolarHBondContact N-O 3.34Å; E423-V427 PolarHBondContact O-N 3.19Å; E423-Y471 PolarHBondContact OE1-OH 3.04Å; E423-Y471 VanDerWaalsContact OE1-OH 3.09Å; E423-Y471 PolarHBondContact OE2-OH 2.55Å; E423-T707 PolarHBondContact OE1-OG1 2.79Å; E423-M729 HydrophobicContact CG-CE 4.42Å |
| 424 | S | 92.8 | Very high | 92.1 | Very high | 49 Ų | 49 | 51.2 Ų | 51.2 | 34% | 0.343 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 136.3 | 178.3 | -53.6 | 0 | 0 | 0 | 0 | 111.2 | M428 M729 | S424-M428 WeakPolarHBondContact OG-CG 3.44Å; S424-M428 PolarHBondContact OG-SD 3.06Å; S424-M729 VanDerWaalsContact O-SD 3.36Å |
| 425 | P | 94.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -97.1 | 17.2 | 1.8 | 38.5 | -33 | 0 | 0 | 0 | 113.6 | M428 G444 Y445 Y732 W787 W788 | P425-M428 HydrophobicContact CB-CE 4.44Å; P425-G444 CarbonylContact O-C 3.53Å; P425-G444 VanDerWaalsContact O-CA 3.29Å; P425-G444 WeakPolarHBondContact O-CA 3.21Å; P425-Y445 PolarHBondContact O-N 2.97Å; P425-Y732 HydrophobicContact CB-CD2 3.96Å; P425-Y732 HydrophobicContact CB-CE2 3.51Å; P425-Y732 HydrophobicContact CG-CD1 4.47Å; P425-Y732 HydrophobicContact CG-CD2 3.53Å; P425-Y732 HydrophobicContact CG-CE2 3.66Å; P425-Y732 HydrophobicContact CG-CG 3.96Å; P425-W787 HydrophobicContact CB-CB 4.25Å; P425-W787 HydrophobicContact CB-CE3 4.5Å; P425-W787 HydrophobicContact CG-CB 4.46Å; P425-W788 HydrophobicContact CG-CD2 4.02Å; P425-W788 HydrophobicContact CG-CE3 4.02Å; P425-W788 HydrophobicContact CG-CH2 3.73Å; P425-W788 HydrophobicContact CG-CZ2 3.71Å; P425-W788 HydrophobicContact CG-CZ3 3.89Å |
| 426 | Y | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -55.3 | -176.9 | -55.1 | -75.7 | 0 | 0 | 0 | 112.5 | E423 G444 Y445 C446 P499 T728 Y753 W788 | E423-Y426 HydrophobicContact CB-CD2 4.19Å; E423-Y426 HydrophobicContact CG-CD2 4.16Å; E423-Y426 WeakPolarHBondContact O-CA 3.48Å; E423-Y426 WeakPolarHBondContact O-CB 3.43Å; E423-Y426 PolarHBondContact O-N 2.96Å; Y426-G444 CarbonylContact O-C 3.52Å; Y426-G444 VanDerWaalsContact O-CA 3.28Å; Y426-G444 WeakPolarHBondContact O-CA 3.07Å; Y426-Y445 HydrophobicContact CD1-CD1 4.42Å; Y426-Y445 PolarHBondContact O-N 3.3Å; Y426-C446 WeakPolarHBondContact O-CB 3.3Å; Y426-C446 PolarHBondContact O-N 2.97Å; Y426-P499 HydrophobicContact CD1-CB 4.04Å; Y426-P499 HydrophobicContact CD1-CG 4.25Å; Y426-P499 HydrophobicContact CD2-CB 3.98Å; Y426-P499 HydrophobicContact CD2-CG 3.63Å; Y426-P499 HydrophobicContact CE1-CB 3.94Å; Y426-P499 HydrophobicContact CE2-CB 3.85Å; Y426-P499 HydrophobicContact CE2-CG 3.96Å; Y426-P499 HydrophobicContact CG-CB 4.06Å; Y426-P499 HydrophobicContact CG-CG 3.78Å; Y426-T728 WeakPolarHBondContact OH-CB 3.48Å; Y426-T728 PolarHBondContact OH-OG1 3.13Å; Y426-Y753 HydrophobicContact CE1-CD2 4.45Å; Y426-Y753 AromaticContact CE1-CE2 3.87Å; Y426-Y753 HydrophobicContact CE1-CE2 3.87Å; Y426-Y753 AromaticContact CZ-CE2 3.81Å; Y426-Y753 WeakPolarHBondContact OH-CE2 3.49Å; Y426-Y753 PolarHBondContact OH-OH 3.4Å; Y426-W788 AromaticContact CD1-CH2 3.98Å; Y426-W788 HydrophobicContact CD1-CH2 3.98Å; Y426-W788 AromaticContact CE1-CH2 3.53Å; Y426-W788 HydrophobicContact CE1-CH2 3.53Å; Y426-W788 AromaticContact CE1-CZ2 3.78Å; Y426-W788 HydrophobicContact CE1-CZ2 3.78Å; Y426-W788 AromaticContact CZ-CZ2 3.88Å |
| 427 | V | 96.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -141.7 | 120.4 | 175.3 | -173 | 0 | 0 | 0 | 0 | 108.8 | T420 I421 L422 E423 Y442 C446 V447 | T420-V427 HydrophobicContact CG2-CG1 4.22Å; T420-V427 HydrophobicContact CG2-CG2 3.94Å; T420-V427 WeakPolarHBondContact OG1-CG2 3.36Å; I421-V427 WeakPolarHBondContact O-CB 3.35Å; L422-V427 HydrophobicContact CD2-CG1 4.01Å; E423-V427 CarbonylContact C-O 3.48Å; E423-V427 PolarHBondContact N-O 3.34Å; E423-V427 PolarHBondContact O-N 3.19Å; V427-Y442 HydrophobicContact CG1-CD1 4.15Å; V427-Y442 HydrophobicContact CG1-CG 4.37Å; V427-C446 HydrophobicContact CG2-CB 3.74Å; V427-V447 HydrophobicContact CG1-CG2 4.21Å; V427-V447 HydrophobicContact CG2-CG2 4.38Å |
| 428 | M | 94.4 | Very high | 93.1 | Very high | 36 Ų | 36 | 60.9 Ų | 60.9 | 18% | 0.177 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 154.7 | 179.8 | -59.9 | -177.8 | -68.8 | 0 | 0 | 109 | S424 P425 Y442 E443 W787 | S424-M428 WeakPolarHBondContact OG-CG 3.44Å; S424-M428 PolarHBondContact OG-SD 3.06Å; P425-M428 HydrophobicContact CB-CE 4.44Å; M428-Y442 CarbonylContact O-C 3.59Å; M428-Y442 WeakPolarHBondContact O-CA 3.49Å; M428-E443 WeakPolarHBondContact CA-O 3.06Å; M428-E443 HydrophobicContact CB-CG 4.23Å; M428-E443 HydrophobicContact CE-CG 4.5Å; M428-E443 PolarHBondContact N-O 3Å; M428-E443 PolarHBondContact O-N 3.48Å; M428-W787 HydrophobicContact CE-CE3 3.97Å; M428-W787 HydrophobicContact CE-CZ3 3.53Å |
| 429 | M | 93.6 | Very high | 93 | Very high | 71 Ų | 71 | 62.7 Ų | 62.7 | 35% | 0.35 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 132.1 | 169.2 | -62.9 | -65 | -72.1 | 0 | 0 | 108.7 | L422 H433 Y442 | L422-M429 HydrophobicContact CD2-CG 4.33Å; L422-M429 HydrophobicContact CD2-SD 4.23Å; M429-H433 HydrophobicContact CE-CB 3.66Å; M429-Y442 HydrophobicContact CE-CE1 4.39Å; M429-Y442 HydrophobicContact SD-CD1 3.55Å; M429-Y442 VanDerWaalsContact SD-CD1 3.55Å; M429-Y442 HydrophobicContact SD-CE1 3.35Å; M429-Y442 WeakPolarHBondContact SD-CE1 3.43Å |
| 430 | K | 93.7 | Very high | 92.8 | Very high | 44 Ų | 44 | 68.1 Ų | 68.1 | 19% | 0.191 | 34% | 0.34 | C | S | . | . | trans | -62.5 | 150.5 | 169.5 | -69.7 | -169 | -170.1 | 159.6 | 0 | 109.6 | N432 H433 L436 E440 R441 Y442 E443 | K430-N432 PolarHBondContact O-N 3.18Å; K430-N432 VanDerWaalsContact O-N 3.16Å; K430-H433 VanDerWaalsContact O-CB 3.31Å; K430-H433 WeakPolarHBondContact O-CB 3Å; K430-H433 PolarHBondContact O-CD2 3.18Å; K430-H433 VanDerWaalsContact O-CD2 3.25Å; K430-H433 PolarHBondContact O-N 3.33Å; K430-H433 VanDerWaalsContact O-N 3.1Å; K430-L436 HydrophobicContact CD-CD1 3.81Å; K430-E440 WeakPolarHBondContact CD-O 3.36Å; K430-E440 WeakPolarHBondContact CE-O 3.16Å; K430-E440 PolarHBondContact NZ-O 3.14Å; K430-E440 IonicContact NZ-OE2 2.76Å; K430-E440 PolarHBondContact NZ-OE2 3.25Å; K430-R441 PolarHBondContact N-O 3.26Å; K430-Y442 WeakPolarHBondContact CE-O 3.34Å; K430-E443 HydrophobicContact CD-CB 4.49Å; K430-E443 HydrophobicContact CG-CB 3.76Å; K430-E443 HydrophobicContact CG-CG 3.79Å | ||
| 431 | K | 90.6 | Very high | 92.7 | Very high | 212 Ų | 212 | 72 Ų | 72 | 92% | 0.922 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -30.5 | 178.6 | -66.4 | -176.5 | 179.8 | 179.2 | 0 | 113.5 | ||
| 432 | N | 93 | Very high | 92.8 | Very high | 76 Ų | 76 | 72.2 Ų | 72.2 | 41% | 0.406 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 31 | 179.1 | 61.1 | -29.4 | 0 | 0 | 0 | 112.6 | K430 E434 M435 L436 | K430-N432 PolarHBondContact O-N 3.18Å; K430-N432 VanDerWaalsContact O-N 3.16Å; N432-E434 PolarHBondContact O-N 3.36Å; N432-E434 VanDerWaalsContact O-N 3.12Å; N432-M435 HydrophobicContact CB-SD 4.46Å; N432-M435 PolarHBondContact O-N 2.81Å; N432-L436 PolarHBondContact O-N 2.92Å |
| 433 | H | 89.9 | Confident | 92.9 | Very high | 67 Ų | 67 | 70.8 Ų | 70.8 | 31% | 0.31 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.3 | -176.4 | 68.6 | 78.5 | 0 | 0 | 0 | 114.6 | M429 K430 L436 R441 | M429-H433 HydrophobicContact CE-CB 3.66Å; K430-H433 VanDerWaalsContact O-CB 3.31Å; K430-H433 WeakPolarHBondContact O-CB 3Å; K430-H433 PolarHBondContact O-CD2 3.18Å; K430-H433 VanDerWaalsContact O-CD2 3.25Å; K430-H433 PolarHBondContact O-N 3.33Å; K430-H433 VanDerWaalsContact O-N 3.1Å; H433-L436 VanDerWaalsContact O-O 3.1Å; H433-R441 HydrophobicContact CB-CB 4.22Å; H433-R441 WeakPolarHBondContact O-CG 3.1Å |
| 434 | E | 89.7 | Confident | 93.1 | Very high | 173 Ų | 173 | 69.7 Ų | 69.7 | 81% | 0.808 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -26.5 | 176.5 | -60.6 | -175.5 | 165.2 | 0 | 0 | 112.4 | N432 | N432-E434 PolarHBondContact O-N 3.36Å; N432-E434 VanDerWaalsContact O-N 3.12Å |
| 435 | M | 91.1 | Very high | 93.3 | Very high | 164 Ų | 164 | 67.4 Ų | 67.4 | 81% | 0.808 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -9.4 | 178.6 | -59.8 | 178.5 | -175.1 | 0 | 0 | 112.9 | N432 | N432-M435 HydrophobicContact CB-SD 4.46Å; N432-M435 PolarHBondContact O-N 2.81Å |
| 436 | L | 91.5 | Very high | 93.4 | Very high | 47 Ų | 47 | 67.5 Ų | 67.5 | 25% | 0.246 | 33% | 0.325 | C | S | . | . | trans | -111.6 | 148.7 | -176.3 | -61.7 | 175.9 | 0 | 0 | 0 | 109.4 | K430 N432 H433 E440 R441 | K430-L436 HydrophobicContact CD-CD1 3.81Å; N432-L436 PolarHBondContact O-N 2.92Å; H433-L436 VanDerWaalsContact O-O 3.1Å; L436-E440 HydrophobicContact CB-CB 4.27Å; L436-E440 HydrophobicContact CD1-CB 4.41Å; L436-E440 WeakPolarHBondContact CD1-O 3.08Å; L436-R441 HydrophobicContact CB-CG 4.02Å; L436-R441 WeakPolarHBondContact O-CD 3.5Å; L436-R441 WeakPolarHBondContact O-CG 3.25Å | ||
| 437 | E | 89.7 | Confident | 93.5 | Very high | 177 Ų | 177 | 68.3 Ų | 68.3 | 83% | 0.827 | 33% | 0.33 | S | S | * | . | trans | -116.5 | 155.3 | 177.2 | -67.4 | -164.8 | 164.5 | 0 | 0 | 112 | N439 | E437-N439 PolarHBondContact O-N 2.92Š| ||
| 438 | G | 90.8 | Very high | 93.5 | Very high | 34 Ų | 34 | 70.1 Ų | 70.1 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | 67.4 | -131.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | E440 R441 | G438-E440 VanDerWaalsContact C-N 3.34Å; G438-R441 PolarHBondContact O-NE 3.37Å; G438-R441 PolarHBondContact O-NH2 2.96Å |
| 439 | N | 93.4 | Very high | 93.6 | Very high | 38 Ų | 38 | 68.4 Ų | 68.4 | 20% | 0.203 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -72.5 | -27.6 | -175.2 | -64.2 | -17.9 | 0 | 0 | 0 | 112.5 | E437 R441 Y442 Y461 K462 L463 | E437-N439 PolarHBondContact O-N 2.92Å; N439-R441 PolarHBondContact O-N 3.14Å; N439-R441 VanDerWaalsContact O-N 3.11Å; N439-Y442 PolarHBondContact O-N 2.85Å; N439-Y442 VanDerWaalsContact O-N 3.14Å; N439-Y461 PolarHBondContact ND2-O 2.94Å; N439-K462 WeakPolarHBondContact OD1-CA 3.31Å; N439-L463 HydrophobicContact CB-CD1 4.22Å; N439-L463 HydrophobicContact CB-CG 4.46Å; N439-L463 PolarHBondContact OD1-N 2.66Å |
| 440 | E | 93.4 | Very high | 93.7 | Very high | 113 Ų | 113 | 65 Ų | 65 | 53% | 0.528 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -67 | -14 | -175.6 | -73.2 | -56.1 | 142.8 | 0 | 0 | 113.8 | K430 L436 G438 Y442 | K430-E440 WeakPolarHBondContact CD-O 3.36Å; K430-E440 WeakPolarHBondContact CE-O 3.16Å; K430-E440 PolarHBondContact NZ-O 3.14Å; K430-E440 IonicContact NZ-OE2 2.76Å; K430-E440 PolarHBondContact NZ-OE2 3.25Å; L436-E440 HydrophobicContact CB-CB 4.27Å; L436-E440 HydrophobicContact CD1-CB 4.41Å; L436-E440 WeakPolarHBondContact CD1-O 3.08Å; G438-E440 VanDerWaalsContact C-N 3.34Å; E440-Y442 PolarHBondContact O-N 3.34Å |
| 441 | R | 94.1 | Very high | 93.8 | Very high | 82 Ų | 82 | 65 Ų | 65 | 31% | 0.309 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -68.1 | -22.6 | 175.3 | -63.4 | -180 | -63.6 | 171.6 | 7.4 | 113 | K430 H433 L436 G438 N439 | K430-R441 PolarHBondContact N-O 3.26Å; H433-R441 HydrophobicContact CB-CB 4.22Å; H433-R441 WeakPolarHBondContact O-CG 3.1Å; L436-R441 HydrophobicContact CB-CG 4.02Å; L436-R441 WeakPolarHBondContact O-CD 3.5Å; L436-R441 WeakPolarHBondContact O-CG 3.25Å; G438-R441 PolarHBondContact O-NE 3.37Å; G438-R441 PolarHBondContact O-NH2 2.96Å; N439-R441 PolarHBondContact O-N 3.14Å; N439-R441 VanDerWaalsContact O-N 3.11Å |
| 442 | Y | 96.2 | Very high | 94 | Very high | 20 Ų | 20 | 57.1 Ų | 57.1 | 8% | 0.078 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 148.5 | -175.9 | -52.1 | -69.8 | 0 | 0 | 0 | 110.9 | L422 V427 M428 M429 K430 N439 E440 L463 I465 | L422-Y442 HydrophobicContact CD2-CD1 4.33Å; L422-Y442 HydrophobicContact CD2-CE1 4.33Å; V427-Y442 HydrophobicContact CG1-CD1 4.15Å; V427-Y442 HydrophobicContact CG1-CG 4.37Å; M428-Y442 CarbonylContact O-C 3.59Å; M428-Y442 WeakPolarHBondContact O-CA 3.49Å; M429-Y442 HydrophobicContact CE-CE1 4.39Å; M429-Y442 HydrophobicContact SD-CD1 3.55Å; M429-Y442 VanDerWaalsContact SD-CD1 3.55Å; M429-Y442 HydrophobicContact SD-CE1 3.35Å; M429-Y442 WeakPolarHBondContact SD-CE1 3.43Å; K430-Y442 WeakPolarHBondContact CE-O 3.34Å; N439-Y442 PolarHBondContact O-N 2.85Å; N439-Y442 VanDerWaalsContact O-N 3.14Å; E440-Y442 PolarHBondContact O-N 3.34Å; Y442-L463 HydrophobicContact CD2-CB 3.87Å; Y442-L463 HydrophobicContact CD2-CD1 3.84Å; Y442-L463 HydrophobicContact CE2-CB 4.01Å; Y442-L463 HydrophobicContact CG-CD1 4.38Å; Y442-I465 HydrophobicContact CD1-CD1 4.38Å; Y442-I465 HydrophobicContact CE1-CD1 3.78Å; Y442-I465 HydrophobicContact CE1-CG1 3.95Å |
| 443 | E | 95.7 | Very high | 94.1 | Very high | 58 Ų | 58 | 53.5 Ų | 53.5 | 27% | 0.271 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 150.9 | 170.6 | 66.4 | 174.1 | 168.7 | 0 | 0 | 110.4 | M428 K430 W787 | M428-E443 WeakPolarHBondContact CA-O 3.06Å; M428-E443 HydrophobicContact CB-CG 4.23Å; M428-E443 HydrophobicContact CE-CG 4.5Å; M428-E443 PolarHBondContact N-O 3Å; M428-E443 PolarHBondContact O-N 3.48Å; K430-E443 HydrophobicContact CD-CB 4.49Å; K430-E443 HydrophobicContact CG-CB 3.76Å; K430-E443 HydrophobicContact CG-CG 3.79Å; E443-W787 HydrophobicContact CB-CH2 4.08Å; E443-W787 HydrophobicContact CG-CH2 4.36Å |
| 444 | G | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 148.5 | 178.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | P425 Y426 C446 V447 D448 W787 | P425-G444 CarbonylContact O-C 3.53Å; P425-G444 VanDerWaalsContact O-CA 3.29Å; P425-G444 WeakPolarHBondContact O-CA 3.21Å; Y426-G444 CarbonylContact O-C 3.52Å; Y426-G444 VanDerWaalsContact O-CA 3.28Å; Y426-G444 WeakPolarHBondContact O-CA 3.07Å; G444-C446 PolarHBondContact O-N 3.32Å; G444-V447 PolarHBondContact O-N 3.32Å; G444-D448 PolarHBondContact O-N 3.4Å; G444-W787 VanDerWaalsContact CA-CH2 3.45Å; G444-W787 VanDerWaalsContact CA-CZ2 3.45Å; G444-W787 VanDerWaalsContact N-CH2 3.28Å |
| 445 | Y | 96.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.8 | -45.2 | -179.7 | 178.8 | -86.9 | 0 | 0 | 0 | 112.6 | P425 Y426 V447 D448 L449 F516 M517 L783 K784 W788 | P425-Y445 PolarHBondContact O-N 2.97Å; Y426-Y445 HydrophobicContact CD1-CD1 4.42Å; Y426-Y445 PolarHBondContact O-N 3.3Å; Y445-V447 VanDerWaalsContact C-N 3.3Å; Y445-V447 PolarHBondContact O-N 3.44Å; Y445-D448 PolarHBondContact O-N 3.15Å; Y445-L449 HydrophobicContact CE1-CD2 4.12Å; Y445-L449 VanDerWaalsContact O-CB 3.31Å; Y445-L449 WeakPolarHBondContact O-CB 3.48Å; Y445-L449 PolarHBondContact O-N 3.28Å; Y445-F516 HydrophobicContact CD1-CE2 4.49Å; Y445-F516 AromaticContact CE1-CD2 3.92Å; Y445-F516 HydrophobicContact CE1-CD2 3.92Å; Y445-F516 AromaticContact CE1-CE2 3.58Å; Y445-F516 HydrophobicContact CE1-CE2 3.58Å; Y445-M517 HydrophobicContact CD2-CE 4.42Å; Y445-M517 HydrophobicContact CE1-CE 3.93Å; Y445-M517 HydrophobicContact CE2-CE 3.78Å; Y445-L783 HydrophobicContact CD2-CB 3.86Å; Y445-L783 HydrophobicContact CE2-CB 3.56Å; Y445-K784 HydrophobicContact CE2-CB 4.4Å; Y445-W788 HydrophobicContact CD2-CH2 4.37Å; Y445-W788 AromaticContact CD2-CZ3 3.63Å; Y445-W788 HydrophobicContact CD2-CZ3 3.63Å; Y445-W788 HydrophobicContact CE2-CZ3 4.36Å; Y445-W788 HydrophobicContact CG-CH2 4.2Å; Y445-W788 AromaticContact CG-CZ3 3.82Å; Y445-W788 HydrophobicContact CG-CZ3 3.82Å |
| 446 | C | 96.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72 | -25.5 | -179.9 | -70.9 | 0 | 0 | 0 | 0 | 112.4 | Y426 V427 G444 A450 I497 | Y426-C446 WeakPolarHBondContact O-CB 3.3Å; Y426-C446 PolarHBondContact O-N 2.97Å; V427-C446 HydrophobicContact CG2-CB 3.74Å; G444-C446 PolarHBondContact O-N 3.32Å; C446-A450 VanDerWaalsContact O-CB 3.25Å; C446-A450 WeakPolarHBondContact O-CB 3.42Å; C446-A450 PolarHBondContact O-N 2.97Å; C446-I497 HydrophobicContact CB-CG2 4.23Å |
| 447 | V | 97 | Very high | 94.1 | Very high | 18 Ų | 18 | 44.3 Ų | 44.3 | 11% | 0.109 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.3 | -46.6 | 175.9 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | V427 G444 Y445 L449 A450 A451 L463 | V427-V447 HydrophobicContact CG1-CG2 4.21Å; V427-V447 HydrophobicContact CG2-CG2 4.38Å; G444-V447 PolarHBondContact O-N 3.32Å; Y445-V447 VanDerWaalsContact C-N 3.3Å; Y445-V447 PolarHBondContact O-N 3.44Å; V447-L449 VanDerWaalsContact C-N 3.34Å; V447-A450 PolarHBondContact O-N 2.85Å; V447-A451 PolarHBondContact O-N 3.11Å; V447-A451 VanDerWaalsContact O-N 3.1Å; V447-L463 HydrophobicContact CG1-CD1 4.17Å; V447-L463 HydrophobicContact CG2-CD1 4.24Å |
| 448 | D | 96.5 | Very high | 94 | Very high | 39 Ų | 39 | 37.9 Ų | 37.9 | 21% | 0.209 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.4 | -43.3 | 173.7 | -71.2 | -8.7 | 0 | 0 | 0 | 110.7 | G444 Y445 A450 A451 E452 L783 K786 W787 | G444-D448 PolarHBondContact O-N 3.4Å; Y445-D448 PolarHBondContact O-N 3.15Å; D448-A450 PolarHBondContact O-N 3.19Å; D448-A451 PolarHBondContact O-N 3.47Å; D448-E452 PolarHBondContact O-N 3.11Å; D448-L783 HydrophobicContact CB-CD1 4.33Å; D448-L783 HydrophobicContact CB-CD2 3.73Å; D448-K786 IonicContact OD1-NZ 3.4Å; D448-K786 IonicContact OD2-NZ 3.75Å; D448-K786 PolarHBondContact OD2-NZ 3.29Å; D448-W787 PolarHBondContact OD2-NE1 3.21Å |
| 449 | L | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.1 | -43.3 | 176.1 | -179.2 | 61.4 | 0 | 0 | 0 | 111.8 | Y445 V447 A451 E452 I453 I497 F516 L774 L780 | Y445-L449 HydrophobicContact CE1-CD2 4.12Å; Y445-L449 VanDerWaalsContact O-CB 3.31Å; Y445-L449 WeakPolarHBondContact O-CB 3.48Å; Y445-L449 PolarHBondContact O-N 3.28Å; V447-L449 VanDerWaalsContact C-N 3.34Å; L449-A451 VanDerWaalsContact C-N 3.31Å; L449-A451 PolarHBondContact O-N 3.38Å; L449-E452 PolarHBondContact O-N 2.82Å; L449-I453 HydrophobicContact CD1-CD1 4.45Å; L449-I453 HydrophobicContact CD1-CG1 4.1Å; L449-I453 HydrophobicContact CG-CG1 4.3Å; L449-I453 VanDerWaalsContact O-CG1 3.27Å; L449-I453 WeakPolarHBondContact O-CG1 3.25Å; L449-I453 PolarHBondContact O-N 2.87Å; L449-I497 HydrophobicContact CD2-CG2 3.99Å; L449-I497 HydrophobicContact CG-CG2 4.23Å; L449-F516 HydrophobicContact CD2-CD1 4.35Å; L449-F516 HydrophobicContact CD2-CD2 4.14Å; L449-F516 HydrophobicContact CD2-CE1 4.35Å; L449-F516 HydrophobicContact CD2-CE2 4.17Å; L449-F516 HydrophobicContact CD2-CG 4.24Å; L449-F516 HydrophobicContact CD2-CZ 4.25Å; L449-L774 HydrophobicContact CD1-CD1 3.89Å; L449-L780 HydrophobicContact CD1-CD2 3.84Å |
| 450 | A | 95.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.7 | -39.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | C446 V447 D448 A454 Y461 L463 I497 | C446-A450 VanDerWaalsContact O-CB 3.25Å; C446-A450 WeakPolarHBondContact O-CB 3.42Å; C446-A450 PolarHBondContact O-N 2.97Å; V447-A450 PolarHBondContact O-N 2.85Å; D448-A450 PolarHBondContact O-N 3.19Å; A450-A454 VanDerWaalsContact O-CB 3.23Å; A450-A454 WeakPolarHBondContact O-CB 3.48Å; A450-A454 PolarHBondContact O-N 3.05Å; A450-Y461 HydrophobicContact CB-CE2 4.12Å; A450-L463 HydrophobicContact CB-CD2 4.35Å; A450-I497 HydrophobicContact CB-CD1 3.82Å |
| 451 | A | 95.9 | Very high | 93.8 | Very high | 42 Ų | 42 | 37.9 Ų | 37.9 | 35% | 0.347 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.9 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | V447 D448 L449 A454 K455 | V447-A451 PolarHBondContact O-N 3.11Å; V447-A451 VanDerWaalsContact O-N 3.1Å; D448-A451 PolarHBondContact O-N 3.47Å; L449-A451 VanDerWaalsContact C-N 3.31Å; L449-A451 PolarHBondContact O-N 3.38Å; A451-A454 PolarHBondContact O-N 3.12Å; A451-K455 VanDerWaalsContact O-CB 3.31Å; A451-K455 WeakPolarHBondContact O-CB 3.38Å; A451-K455 PolarHBondContact O-N 3.5Å |
| 452 | E | 95 | Very high | 93.9 | Very high | 47 Ų | 47 | 39.7 Ų | 39.7 | 22% | 0.22 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.7 | -42.9 | 177.6 | -67.1 | -64.9 | 166.7 | 0 | 0 | 112 | D448 L449 A454 K455 H456 L774 L779 | D448-E452 PolarHBondContact O-N 3.11Å; L449-E452 PolarHBondContact O-N 2.82Å; E452-A454 VanDerWaalsContact C-N 3.34Å; E452-A454 PolarHBondContact O-N 2.63Å; E452-K455 WeakPolarHBondContact O-CB 3.33Å; E452-K455 PolarHBondContact O-N 3Å; E452-K455 IonicContact OE2-NZ 3.86Å; E452-H456 PolarHBondContact O-CD2 3.31Å; E452-H456 PolarHBondContact O-N 2.95Å; E452-L774 HydrophobicContact CB-CD1 4.04Å; E452-L774 HydrophobicContact CB-CD2 4.16Å; E452-L779 HydrophobicContact CB-CD2 4.3Å; E452-L779 HydrophobicContact CG-CD2 3.6Å |
| 453 | I | 94.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61 | -45 | 174.9 | -64.6 | -67.2 | 0 | 0 | 0 | 110.6 | L449 K455 H456 C457 F459 I755 V767 A770 V771 L774 | L449-I453 HydrophobicContact CD1-CD1 4.45Å; L449-I453 HydrophobicContact CD1-CG1 4.1Å; L449-I453 HydrophobicContact CG-CG1 4.3Å; L449-I453 VanDerWaalsContact O-CG1 3.27Å; L449-I453 WeakPolarHBondContact O-CG1 3.25Å; L449-I453 PolarHBondContact O-N 2.87Å; I453-K455 VanDerWaalsContact C-N 3.33Å; I453-K455 PolarHBondContact O-N 2.91Å; I453-H456 PolarHBondContact O-N 2.68Å; I453-C457 WeakPolarHBondContact O-CB 3.45Å; I453-C457 PolarHBondContact O-N 2.94Å; I453-C457 PolarHBondContact O-SG 3.5Å; I453-F459 HydrophobicContact CG2-CE1 4.19Å; I453-F459 HydrophobicContact CG2-CZ 3.98Å; I453-I755 HydrophobicContact CD1-CD1 3.89Å; I453-I755 HydrophobicContact CG1-CD1 3.9Å; I453-V767 HydrophobicContact CG2-CG1 4.43Å; I453-V767 HydrophobicContact CG2-CG2 4.1Å; I453-A770 HydrophobicContact CD1-CB 3.9Å; I453-V771 HydrophobicContact CD1-CG2 3.89Å; I453-L774 HydrophobicContact CD1-CD1 3.77Å; I453-L774 HydrophobicContact CG1-CD1 4.35Å |
| 454 | A | 92.9 | Very high | 93.9 | Very high | 9 Ų | 9 | 38.1 Ų | 38.1 | 7% | 0.074 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.1 | -39.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A450 A451 E452 G458 F459 Y461 | A450-A454 VanDerWaalsContact O-CB 3.23Å; A450-A454 WeakPolarHBondContact O-CB 3.48Å; A450-A454 PolarHBondContact O-N 3.05Å; A451-A454 PolarHBondContact O-N 3.12Å; E452-A454 VanDerWaalsContact C-N 3.34Å; E452-A454 PolarHBondContact O-N 2.63Å; A454-G458 WeakPolarHBondContact O-CA 3.48Å; A454-G458 PolarHBondContact O-N 3.42Å; A454-F459 HydrophobicContact CB-CD2 4.32Å; A454-F459 HydrophobicContact CB-CE2 4.05Å; A454-F459 HydrophobicContact CB-CZ 4.34Å; A454-F459 PolarHBondContact O-N 3.49Å; A454-Y461 HydrophobicContact CB-CD1 3.48Å; A454-Y461 VanDerWaalsContact CB-CD1 3.48Å; A454-Y461 HydrophobicContact CB-CE1 3.63Å |
| 455 | K | 92.4 | Very high | 93.9 | Very high | 158 Ų | 158 | 40.9 Ų | 40.9 | 69% | 0.687 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -63.8 | -38.8 | 175.8 | -179.7 | -176.4 | 175.4 | -171.9 | 0 | 112.6 | A451 E452 I453 | A451-K455 VanDerWaalsContact O-CB 3.31Å; A451-K455 WeakPolarHBondContact O-CB 3.38Å; A451-K455 PolarHBondContact O-N 3.5Å; E452-K455 WeakPolarHBondContact O-CB 3.33Å; E452-K455 PolarHBondContact O-N 3Å; E452-K455 IonicContact OE2-NZ 3.86Å; I453-K455 VanDerWaalsContact C-N 3.33Å; I453-K455 PolarHBondContact O-N 2.91Å |
| 456 | H | 89.9 | Confident | 93.8 | Very high | 63 Ų | 63 | 41.1 Ų | 41.1 | 29% | 0.292 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -77.3 | -35 | 179.2 | -84.6 | -85.4 | 0 | 0 | 0 | 113.4 | E452 I453 A770 | E452-H456 PolarHBondContact O-CD2 3.31Å; E452-H456 PolarHBondContact O-N 2.95Å; I453-H456 PolarHBondContact O-N 2.68Å; H456-A770 HydrophobicContact CB-CB 3.92Å |
| 457 | C | 89.1 | Confident | 93.5 | Very high | 28 Ų | 28 | 44.6 Ų | 44.6 | 19% | 0.189 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -94.8 | -15.4 | -177.5 | -63.7 | 0 | 0 | 0 | 0 | 114.1 | I453 F459 | I453-C457 WeakPolarHBondContact O-CB 3.45Å; I453-C457 PolarHBondContact O-N 2.94Å; I453-C457 PolarHBondContact O-SG 3.5Å; C457-F459 HydrophobicContact CB-CD1 3.41Å; C457-F459 VanDerWaalsContact CB-CD1 3.41Å; C457-F459 HydrophobicContact CB-CE1 3.37Å |
| 458 | G | 86.6 | Confident | 93.1 | Very high | 43 Ų | 43 | 47.3 Ų | 47.3 | 44% | 0.443 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 34.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A454 | A454-G458 WeakPolarHBondContact O-CA 3.48Å; A454-G458 PolarHBondContact O-N 3.42Å |
| 459 | F | 88.4 | Confident | 92.7 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | trans | -119.5 | 148.9 | -179.3 | 63 | -101.9 | 0 | 0 | 0 | 113.7 | V416 I453 A454 C457 L763 | V416-F459 HydrophobicContact CB-CD2 3.83Å; V416-F459 HydrophobicContact CB-CE2 4.09Å; V416-F459 HydrophobicContact CG1-CD2 4.45Å; V416-F459 HydrophobicContact CG1-CE2 4.28Å; V416-F459 HydrophobicContact CG2-CB 4Å; V416-F459 HydrophobicContact CG2-CD2 3.53Å; V416-F459 HydrophobicContact CG2-CE2 4.16Å; V416-F459 HydrophobicContact CG2-CG 3.84Å; I453-F459 HydrophobicContact CG2-CE1 4.19Å; I453-F459 HydrophobicContact CG2-CZ 3.98Å; A454-F459 HydrophobicContact CB-CD2 4.32Å; A454-F459 HydrophobicContact CB-CE2 4.05Å; A454-F459 HydrophobicContact CB-CZ 4.34Å; A454-F459 PolarHBondContact O-N 3.49Å; C457-F459 HydrophobicContact CB-CD1 3.41Å; C457-F459 VanDerWaalsContact CB-CD1 3.41Å; C457-F459 HydrophobicContact CB-CE1 3.37Å; F459-L763 HydrophobicContact CD1-CD2 4.46Å | ||
| 460 | K | 91.8 | Very high | 92.4 | Very high | 124 Ų | 124 | 51.8 Ų | 51.8 | 54% | 0.539 | 30% | 0.295 | S | S | . | . | trans | -77.1 | 143.1 | 167.3 | -68.6 | 177.5 | -177.3 | 168.4 | 0 | 109.6 | T415 V416 | T415-K460 CarbonylContact C-O 3.59Å; T415-K460 WeakPolarHBondContact CA-O 3.4Å; V416-K460 PolarHBondContact N-O 3.11Å | ||
| 461 | Y | 94.2 | Very high | 92.1 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 153.7 | -178.4 | 69.4 | -82.1 | 0 | 0 | 0 | 112.6 | V416 V418 N439 A450 A454 L463 | V416-Y461 CarbonylContact O-C 3.01Å; V416-Y461 VanDerWaalsContact O-CA 3.3Å; V416-Y461 WeakPolarHBondContact O-CA 3Å; V418-Y461 HydrophobicContact CG2-CD2 4.19Å; V418-Y461 HydrophobicContact CG2-CG 4.37Å; N439-Y461 PolarHBondContact ND2-O 2.94Å; A450-Y461 HydrophobicContact CB-CE2 4.12Å; A454-Y461 HydrophobicContact CB-CD1 3.48Å; A454-Y461 VanDerWaalsContact CB-CD1 3.48Å; A454-Y461 HydrophobicContact CB-CE1 3.63Å; Y461-L463 HydrophobicContact CD2-CD2 4.12Å; Y461-L463 HydrophobicContact CD2-CG 4.17Å; Y461-L463 HydrophobicContact CE2-CD1 4.4Å; Y461-L463 HydrophobicContact CE2-CD2 4.08Å; Y461-L463 HydrophobicContact CE2-CG 3.98Å |
| 462 | K | 94.7 | Very high | 91.7 | Very high | 119 Ų | 119 | 51.4 Ų | 51.4 | 52% | 0.517 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 121.4 | 172.2 | -178.1 | 175.8 | -179.5 | 176.8 | 0 | 109.1 | T415 V416 V418 N439 T464 | T415-K462 HydrophobicContact CG2-CB 3.78Å; V416-K462 PolarHBondContact O-N 2.88Å; V418-K462 PolarHBondContact N-O 3.16Å; N439-K462 WeakPolarHBondContact OD1-CA 3.31Å; K462-T464 HydrophobicContact CG-CG2 4.41Å; K462-T464 PolarHBondContact O-N 2.88Å |
| 463 | L | 95.9 | Very high | 91.4 | Very high | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 123.4 | 174.4 | -63.7 | 175.8 | 0 | 0 | 0 | 109.5 | V418 N439 Y442 V447 A450 Y461 | V418-L463 HydrophobicContact CB-CD2 4.02Å; V418-L463 HydrophobicContact CG1-CD2 3.84Å; N439-L463 HydrophobicContact CB-CD1 4.22Å; N439-L463 HydrophobicContact CB-CG 4.46Å; N439-L463 PolarHBondContact OD1-N 2.66Å; Y442-L463 HydrophobicContact CD2-CB 3.87Å; Y442-L463 HydrophobicContact CD2-CD1 3.84Å; Y442-L463 HydrophobicContact CE2-CB 4.01Å; Y442-L463 HydrophobicContact CG-CD1 4.38Å; V447-L463 HydrophobicContact CG1-CD1 4.17Å; V447-L463 HydrophobicContact CG2-CD1 4.24Å; A450-L463 HydrophobicContact CB-CD2 4.35Å; Y461-L463 HydrophobicContact CD2-CD2 4.12Å; Y461-L463 HydrophobicContact CD2-CG 4.17Å; Y461-L463 HydrophobicContact CE2-CD1 4.4Å; Y461-L463 HydrophobicContact CE2-CD2 4.08Å; Y461-L463 HydrophobicContact CE2-CG 3.98Å |
| 464 | T | 95.6 | Very high | 91.1 | Very high | 38 Ų | 38 | 56.5 Ų | 56.5 | 23% | 0.233 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 135.6 | 176 | 54.3 | 0 | 0 | 0 | 0 | 109.8 | V417 V418 T419 T420 K462 | V417-T464 HydrophobicContact CG1-CG2 3.89Å; V417-T464 WeakPolarHBondContact CG1-OG1 3.33Å; V418-T464 PolarHBondContact O-N 2.84Å; V418-T464 PolarHBondContact O-OG1 3.14Å; T419-T464 WeakPolarHBondContact CA-O 3.43Å; T420-T464 PolarHBondContact N-O 3.39Å; K462-T464 HydrophobicContact CG-CG2 4.41Å; K462-T464 PolarHBondContact O-N 2.88Å |
| 465 | I | 95.9 | Very high | 90.7 | Very high | 57 Ų | 57 | 59.7 Ų | 59.7 | 29% | 0.292 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 135.3 | 176.6 | -55.7 | -54.6 | 0 | 0 | 0 | 109.1 | T420 L422 Y442 G467 | T420-I465 HydrophobicContact CG2-CD1 3.83Å; T420-I465 WeakPolarHBondContact O-CA 3.45Å; L422-I465 HydrophobicContact CD2-CD1 3.83Å; L422-I465 HydrophobicContact CD2-CG1 4.47Å; L422-I465 HydrophobicContact CG-CD1 4.02Å; L422-I465 HydrophobicContact CG-CG1 4.38Å; L422-I465 HydrophobicContact CG-CG2 4.24Å; Y442-I465 HydrophobicContact CD1-CD1 4.38Å; Y442-I465 HydrophobicContact CE1-CD1 3.78Å; Y442-I465 HydrophobicContact CE1-CG1 3.95Å; I465-G467 PolarHBondContact O-N 2.86Å |
| 466 | V | 94.4 | Very high | 90.2 | Very high | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.036 | 33% | 0.326 | C | S | . | . | trans | -56.1 | 132.3 | 176.4 | 64.1 | 0 | 0 | 0 | 0 | 111.4 | T420 I421 D468 G469 M484 E487 | T420-V466 PolarHBondContact O-N 2.9Å; I421-V466 HydrophobicContact CB-CG1 4.11Å; I421-V466 HydrophobicContact CD1-CG1 4.38Å; I421-V466 HydrophobicContact CG1-CG1 4.08Å; V466-D468 WeakPolarHBondContact CG2-OD1 3.31Å; V466-D468 PolarHBondContact O-N 3.5Å; V466-G469 PolarHBondContact O-N 2.95Å; V466-M484 HydrophobicContact CB-CG 3.77Å; V466-M484 HydrophobicContact CG1-CG 4.19Å; V466-M484 HydrophobicContact CG2-CG 3.88Å; V466-E487 WeakPolarHBondContact CA-OE1 3.3Å | ||
| 467 | G | 90.2 | Very high | 89.9 | Confident | 75 Ų | 75 | 60 Ų | 60 | 77% | 0.773 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -32.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | I465 E487 | I465-G467 PolarHBondContact O-N 2.86Å; G467-E487 PolarHBondContact N-OE1 2.73Å |
| 468 | D | 89.8 | Confident | 89.7 | Confident | 75 Ų | 75 | 62.3 Ų | 62.3 | 40% | 0.401 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -1.5 | -177 | 68 | -3.2 | 0 | 0 | 0 | 114.1 | V466 K470 N482 G483 | V466-D468 WeakPolarHBondContact CG2-OD1 3.31Å; V466-D468 PolarHBondContact O-N 3.5Å; D468-K470 VanDerWaalsContact C-N 3.27Å; D468-K470 PolarHBondContact O-N 3.31Å; D468-K470 PolarHBondContact OD1-N 3.44Å; D468-N482 WeakPolarHBondContact OD2-CB 3.1Å; D468-G483 VanDerWaalsContact OD1-CA 3.31Å; D468-G483 WeakPolarHBondContact OD1-CA 3.37Å; D468-G483 PolarHBondContact OD2-N 3.13Å |
| 469 | G | 88.8 | Confident | 89.6 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 50% | 0.495 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 67.3 | 20.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | I421 V466 | I421-G469 WeakPolarHBondContact CD1-O 3.44Å; V466-G469 PolarHBondContact O-N 2.95Å |
| 470 | K | 89.1 | Confident | 89.6 | Confident | 85 Ų | 85 | 67.7 Ų | 67.7 | 37% | 0.37 | 38% | 0.375 | S | S | . | . | trans | -111.7 | 152 | -178.1 | -62.8 | -177.9 | -177.7 | -177.2 | 0 | 112.3 | D468 G483 M484 | D468-K470 VanDerWaalsContact C-N 3.27Å; D468-K470 PolarHBondContact O-N 3.31Å; D468-K470 PolarHBondContact OD1-N 3.44Å; K470-G483 WeakPolarHBondContact O-CA 3.5Å; K470-M484 PolarHBondContact O-N 3.1Å | ||
| 471 | Y | 89.2 | Confident | 89.5 | Confident | 32 Ų | 32 | 62.6 Ų | 62.6 | 13% | 0.125 | 35% | 0.353 | C | S | . | . | trans | -65.5 | -44.1 | 173.8 | -70.5 | -73.3 | 0 | 0 | 0 | 113 | I421 E423 M484 V485 P499 L671 | I421-Y471 HydrophobicContact CD1-CE1 4.32Å; I421-Y471 HydrophobicContact CD1-CE2 4.46Å; I421-Y471 HydrophobicContact CG2-CE1 3.89Å; E423-Y471 PolarHBondContact OE1-OH 3.04Å; E423-Y471 VanDerWaalsContact OE1-OH 3.09Å; E423-Y471 PolarHBondContact OE2-OH 2.55Å; Y471-M484 HydrophobicContact CD1-CE 3.57Å; Y471-M484 HydrophobicContact CE1-CE 4.18Å; Y471-M484 HydrophobicContact CG-CE 4.44Å; Y471-M484 PolarHBondContact O-N 3.08Å; Y471-V485 PolarHBondContact O-N 3Å; Y471-P499 HydrophobicContact CE1-CG 4.16Å; Y471-P499 WeakPolarHBondContact CE1-O 3.29Å; Y471-L671 HydrophobicContact CE2-CD2 4.41Å | ||
| 472 | G | 88.2 | Confident | 89.4 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | trans | 125.4 | 113.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112 | N482 R506 | G472-N482 WeakPolarHBondContact CA-O 3.5Å; G472-N482 WeakPolarHBondContact CA-OD1 3.5Å; G472-R506 PolarHBondContact O-NE 3.21Å; G472-R506 PolarHBondContact O-NH2 3.46Å | ||
| 473 | A | 88.2 | Confident | 89.2 | Confident | 38 Ų | 38 | 57 Ų | 57 | 31% | 0.314 | 33% | 0.333 | S | S | . | . | trans | -131.3 | 152.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | N482 | A473-N482 PolarHBondContact N-OD1 3.25Å; A473-N482 PolarHBondContact O-N 3.45Å; A473-N482 VanDerWaalsContact O-N 3.11Å; A473-N482 PolarHBondContact O-OD1 3.36Å; A473-N482 VanDerWaalsContact O-OD1 3.11Å | ||
| 474 | R | 88 | Confident | 89.2 | Confident | 117 Ų | 117 | 56.6 Ų | 56.6 | 44% | 0.442 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -87.8 | 125.4 | 176.4 | -169.4 | -179.3 | -178.4 | 175.9 | 4.1 | 109 | K479 W481 | R474-K479 VanDerWaalsContact NH2-CD 3.28Å; R474-W481 HydrophobicContact CB-CD2 3.93Å; R474-W481 HydrophobicContact CB-CE3 4.09Å; R474-W481 HydrophobicContact CB-CH2 4.06Å; R474-W481 HydrophobicContact CB-CZ2 3.88Å; R474-W481 HydrophobicContact CB-CZ3 4.16Å; R474-W481 HydrophobicContact CG-CD2 4.4Å; R474-W481 HydrophobicContact CG-CZ2 4.39Å |
| 475 | D | 85.2 | Confident | 89.1 | Confident | 75 Ų | 75 | 54.8 Ų | 54.8 | 40% | 0.401 | 32% | 0.32 | S | S | . | . | trans | -61.6 | 137 | 168.6 | -173.3 | -5.8 | 0 | 0 | 0 | 109.9 | D477 T478 K479 I480 | D475-D477 PolarHBondContact OD1-N 3.36Å; D475-T478 VanDerWaalsContact CB-OG1 3.27Å; D475-T478 WeakPolarHBondContact CB-OG1 3.37Å; D475-T478 PolarHBondContact OD2-OG1 3.39Å; D475-K479 WeakPolarHBondContact O-CA 3.21Å; D475-K479 PolarHBondContact O-N 3.24Å; D475-K479 VanDerWaalsContact O-N 3.13Å; D475-I480 PolarHBondContact N-O 3.44Å | ||
| 476 | A | 81.6 | Confident | 89 | Confident | 80 Ų | 80 | 52.2 Ų | 52.2 | 66% | 0.661 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -38.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 477 | D | 83.3 | Confident | 89 | Confident | 148 Ų | 148 | 53.4 Ų | 53.4 | 79% | 0.791 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -54.2 | -172.3 | -58.6 | -35.3 | 0 | 0 | 0 | 110.7 | D475 K479 | D475-D477 PolarHBondContact OD1-N 3.36Å; D477-K479 VanDerWaalsContact C-N 3.32Å; D477-K479 PolarHBondContact O-N 2.93Å |
| 478 | T | 84.3 | Confident | 89.2 | Confident | 76 Ų | 76 | 50 Ų | 50 | 47% | 0.466 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -15.8 | -175.8 | 67.1 | 0 | 0 | 0 | 0 | 113.1 | D475 I480 | D475-T478 VanDerWaalsContact CB-OG1 3.27Å; D475-T478 WeakPolarHBondContact CB-OG1 3.37Å; D475-T478 PolarHBondContact OD2-OG1 3.39Å; T478-I480 HydrophobicContact CG2-CD1 4.35Å; T478-I480 PolarHBondContact O-N 3.45Å; T478-I480 VanDerWaalsContact O-N 3.15Å; T478-I480 WeakPolarHBondContact OG1-CB 3.27Å; T478-I480 WeakPolarHBondContact OG1-CD1 3.46Å; T478-I480 WeakPolarHBondContact OG1-CG1 3.25Å; T478-I480 PolarHBondContact OG1-N 2.78Å |
| 479 | K | 84.4 | Confident | 89.3 | Confident | 131 Ų | 131 | 49 Ų | 49 | 57% | 0.57 | 27% | 0.273 | S | S | * | . | trans | 58.8 | 17.1 | -173.2 | -68 | 171.8 | 166.8 | 179.9 | 0 | 113.8 | R474 D475 D477 | R474-K479 VanDerWaalsContact NH2-CD 3.28Å; D475-K479 WeakPolarHBondContact O-CA 3.21Å; D475-K479 PolarHBondContact O-N 3.24Å; D475-K479 VanDerWaalsContact O-N 3.13Å; D477-K479 VanDerWaalsContact C-N 3.32Å; D477-K479 PolarHBondContact O-N 2.93Å | ||
| 480 | I | 88.3 | Confident | 89.5 | Confident | 36 Ų | 36 | 48.2 Ų | 48.2 | 19% | 0.185 | 26% | 0.256 | C | S | . | . | trans | -78.3 | 135.6 | 178.9 | -62.7 | 169.8 | 0 | 0 | 0 | 109.5 | L201 K203 D475 T478 Y490 | L201-I480 VanDerWaalsContact O-CD1 3.29Å; L201-I480 WeakPolarHBondContact O-CD1 3.02Å; K203-I480 HydrophobicContact CG-CD1 4.42Å; K203-I480 HydrophobicContact CG-CG2 4.11Å; D475-I480 PolarHBondContact N-O 3.44Å; T478-I480 HydrophobicContact CG2-CD1 4.35Å; T478-I480 PolarHBondContact O-N 3.45Å; T478-I480 VanDerWaalsContact O-N 3.15Å; T478-I480 WeakPolarHBondContact OG1-CB 3.27Å; T478-I480 WeakPolarHBondContact OG1-CD1 3.46Å; T478-I480 WeakPolarHBondContact OG1-CG1 3.25Å; T478-I480 PolarHBondContact OG1-N 2.78Å; I480-Y490 WeakPolarHBondContact CA-OH 2.97Å; I480-Y490 HydrophobicContact CG2-CE2 4.21Å; I480-Y490 WeakPolarHBondContact CG2-OH 3.38Å | ||
| 481 | W | 91.1 | Very high | 89.4 | Confident | 17 Ų | 17 | 45.5 Ų | 45.5 | 6% | 0.064 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -87.6 | 126.9 | 171.8 | -73.9 | 93.8 | 0 | 0 | 0 | 110.1 | R474 V485 G486 Y490 V505 R506 V509 | R474-W481 HydrophobicContact CB-CD2 3.93Å; R474-W481 HydrophobicContact CB-CE3 4.09Å; R474-W481 HydrophobicContact CB-CH2 4.06Å; R474-W481 HydrophobicContact CB-CZ2 3.88Å; R474-W481 HydrophobicContact CB-CZ3 4.16Å; R474-W481 HydrophobicContact CG-CD2 4.4Å; R474-W481 HydrophobicContact CG-CZ2 4.39Å; W481-V485 HydrophobicContact CB-CG1 4.38Å; W481-V485 HydrophobicContact CD2-CG1 3.78Å; W481-V485 HydrophobicContact CE3-CB 3.98Å; W481-V485 HydrophobicContact CE3-CG1 3.52Å; W481-V485 HydrophobicContact CG-CG1 4.18Å; W481-V485 HydrophobicContact CZ3-CG1 4Å; W481-G486 WeakPolarHBondContact O-CA 3.47Å; W481-Y490 PolarHBondContact N-OH 3.26Å; W481-Y490 VanDerWaalsContact N-OH 3.17Å; W481-Y490 WeakPolarHBondContact O-CE2 3.36Å; W481-V505 HydrophobicContact CH2-CB 4.17Å; W481-V505 HydrophobicContact CH2-CG2 4.08Å; W481-V505 WeakPolarHBondContact CH2-O 3.49Å; W481-V505 VanDerWaalsContact CZ2-O 3.3Å; W481-V505 WeakPolarHBondContact CZ2-O 3.31Å; W481-R506 HydrophobicContact CH2-CG 4.15Å; W481-R506 HydrophobicContact CZ3-CG 4.14Å; W481-V509 HydrophobicContact CD2-CG2 4.44Å; W481-V509 HydrophobicContact CZ2-CG1 4.29Å; W481-V509 HydrophobicContact CZ2-CG2 3.9Å |
| 482 | N | 90.9 | Very high | 89.4 | Confident | 47 Ų | 47 | 49.3 Ų | 49.3 | 25% | 0.251 | 27% | 0.269 | S | S | . | . | trans | -94.5 | -174.8 | 169.9 | 67.3 | 18.8 | 0 | 0 | 0 | 110.9 | D468 G472 A473 G486 | D468-N482 WeakPolarHBondContact OD2-CB 3.1Å; G472-N482 WeakPolarHBondContact CA-O 3.5Å; G472-N482 WeakPolarHBondContact CA-OD1 3.5Å; A473-N482 PolarHBondContact N-OD1 3.25Å; A473-N482 PolarHBondContact O-N 3.45Å; A473-N482 VanDerWaalsContact O-N 3.11Å; A473-N482 PolarHBondContact O-OD1 3.36Å; A473-N482 VanDerWaalsContact O-OD1 3.11Å; N482-G486 PolarHBondContact O-N 3.38Å; N482-G486 VanDerWaalsContact O-N 3.08Å | ||
| 483 | G | 91.8 | Very high | 89.7 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | 61.2 | -160.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | D468 K470 V485 G486 E487 | D468-G483 VanDerWaalsContact OD1-CA 3.31Å; D468-G483 WeakPolarHBondContact OD1-CA 3.37Å; D468-G483 PolarHBondContact OD2-N 3.13Å; K470-G483 WeakPolarHBondContact O-CA 3.5Å; G483-V485 VanDerWaalsContact C-N 3.26Å; G483-V485 PolarHBondContact O-N 3.31Å; G483-G486 PolarHBondContact O-N 3.15Å; G483-G486 VanDerWaalsContact O-N 3.1Å; G483-E487 PolarHBondContact O-N 3.13Å; G483-E487 VanDerWaalsContact O-N 3.13Å |
| 484 | M | 94.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.9 | -35 | -179.8 | -63.7 | -179.3 | -73.4 | 0 | 0 | 112.4 | T419 I421 V466 K470 Y471 G486 E487 L488 A498 L500 | T419-M484 HydrophobicContact CG2-CB 4.12Å; T419-M484 HydrophobicContact CG2-CG 4.27Å; I421-M484 HydrophobicContact CB-CE 4.16Å; I421-M484 HydrophobicContact CB-SD 4.18Å; I421-M484 HydrophobicContact CG2-CE 3.92Å; I421-M484 HydrophobicContact CG2-SD 4.33Å; V466-M484 HydrophobicContact CB-CG 3.77Å; V466-M484 HydrophobicContact CG1-CG 4.19Å; V466-M484 HydrophobicContact CG2-CG 3.88Å; K470-M484 PolarHBondContact O-N 3.1Å; Y471-M484 HydrophobicContact CD1-CE 3.57Å; Y471-M484 HydrophobicContact CE1-CE 4.18Å; Y471-M484 HydrophobicContact CG-CE 4.44Å; Y471-M484 PolarHBondContact O-N 3.08Å; M484-G486 VanDerWaalsContact C-N 3.34Å; M484-G486 PolarHBondContact O-N 2.87Å; M484-E487 PolarHBondContact O-N 3.38Å; M484-L488 PolarHBondContact O-N 3.14Å; M484-L488 VanDerWaalsContact O-N 3.15Å; M484-A498 HydrophobicContact CE-CB 3.7Å; M484-A498 HydrophobicContact SD-CB 3.45Å; M484-A498 WeakPolarHBondContact SD-CB 3.48Å; M484-L500 HydrophobicContact CE-CD1 4.39Å |
| 485 | V | 94.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.7 | -44.7 | 175.2 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | Y471 W481 G483 E487 L488 V489 L500 R506 V509 I510 | Y471-V485 PolarHBondContact O-N 3Å; W481-V485 HydrophobicContact CB-CG1 4.38Å; W481-V485 HydrophobicContact CD2-CG1 3.78Å; W481-V485 HydrophobicContact CE3-CB 3.98Å; W481-V485 HydrophobicContact CE3-CG1 3.52Å; W481-V485 HydrophobicContact CG-CG1 4.18Å; W481-V485 HydrophobicContact CZ3-CG1 4Å; G483-V485 VanDerWaalsContact C-N 3.26Å; G483-V485 PolarHBondContact O-N 3.31Å; V485-E487 VanDerWaalsContact C-N 3.32Å; V485-E487 PolarHBondContact O-N 3.17Å; V485-L488 PolarHBondContact O-N 2.66Å; V485-V489 HydrophobicContact CG1-CG2 4.18Å; V485-V489 WeakPolarHBondContact O-CB 3.36Å; V485-V489 VanDerWaalsContact O-CG2 3.25Å; V485-V489 WeakPolarHBondContact O-CG2 3.49Å; V485-V489 PolarHBondContact O-N 2.89Å; V485-L500 HydrophobicContact CG2-CD1 4.27Å; V485-L500 HydrophobicContact CG2-CD2 4.35Å; V485-R506 HydrophobicContact CG2-CG 4.16Å; V485-V509 HydrophobicContact CG1-CG2 3.88Å; V485-I510 HydrophobicContact CB-CD1 4.49Å; V485-I510 HydrophobicContact CG1-CD1 4.08Å; V485-I510 HydrophobicContact CG1-CG1 4.48Å; V485-I510 HydrophobicContact CG2-CD1 4.06Å |
| 486 | G | 92.8 | Very high | 90.9 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -37.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | W481 N482 G483 M484 L488 V489 Y490 | W481-G486 WeakPolarHBondContact O-CA 3.47Å; N482-G486 PolarHBondContact O-N 3.38Å; N482-G486 VanDerWaalsContact O-N 3.08Å; G483-G486 PolarHBondContact O-N 3.15Å; G483-G486 VanDerWaalsContact O-N 3.1Å; M484-G486 VanDerWaalsContact C-N 3.34Å; M484-G486 PolarHBondContact O-N 2.87Å; G486-L488 VanDerWaalsContact C-N 3.32Å; G486-L488 PolarHBondContact O-N 2.9Å; G486-V489 PolarHBondContact O-N 3.04Å; G486-Y490 VanDerWaalsContact O-CB 3.31Å; G486-Y490 WeakPolarHBondContact O-CB 3.39Å; G486-Y490 WeakPolarHBondContact O-CD2 3.3Å; G486-Y490 PolarHBondContact O-N 2.84Å |
| 487 | E | 94.6 | Very high | 91.6 | Very high | 30 Ų | 30 | 35.9 Ų | 35.9 | 14% | 0.14 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.1 | -35.7 | 177.2 | -68.8 | -172.6 | 176.8 | 0 | 0 | 113 | T419 V466 G467 G483 M484 V485 G491 K492 A493 | T419-E487 WeakPolarHBondContact CB-OE2 3.16Å; T419-E487 PolarHBondContact OG1-OE2 3.46Å; V466-E487 WeakPolarHBondContact CA-OE1 3.3Å; G467-E487 PolarHBondContact N-OE1 2.73Å; G483-E487 PolarHBondContact O-N 3.13Å; G483-E487 VanDerWaalsContact O-N 3.13Å; M484-E487 PolarHBondContact O-N 3.38Å; V485-E487 VanDerWaalsContact C-N 3.32Å; V485-E487 PolarHBondContact O-N 3.17Å; E487-G491 PolarHBondContact O-N 2.72Å; E487-K492 HydrophobicContact CB-CB 4.09Å; E487-K492 HydrophobicContact CG-CB 4.29Å; E487-K492 HydrophobicContact CG-CD 4.22Å; E487-K492 WeakPolarHBondContact O-CA 3.27Å; E487-K492 WeakPolarHBondContact O-CB 3.41Å; E487-K492 PolarHBondContact O-N 3.4Å; E487-A493 HydrophobicContact CB-CB 4.08Å; E487-A493 PolarHBondContact O-N 3.18Å |
| 488 | L | 94.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -75.3 | -45.3 | 174.3 | -62.2 | -177.4 | 0 | 0 | 0 | 112.3 | T419 M484 V485 G486 Y490 G491 A493 A496 I510 A756 P758 | T419-L488 HydrophobicContact CG2-CD2 4.31Å; M484-L488 PolarHBondContact O-N 3.14Å; M484-L488 VanDerWaalsContact O-N 3.15Å; V485-L488 PolarHBondContact O-N 2.66Å; G486-L488 VanDerWaalsContact C-N 3.32Å; G486-L488 PolarHBondContact O-N 2.9Å; L488-Y490 VanDerWaalsContact C-N 3.3Å; L488-Y490 PolarHBondContact O-N 2.85Å; L488-G491 PolarHBondContact O-N 2.69Å; L488-A493 HydrophobicContact CD2-CB 4.01Å; L488-A496 HydrophobicContact CD1-CB 3.78Å; L488-A496 HydrophobicContact CD2-CB 4.36Å; L488-A496 HydrophobicContact CG-CB 4.29Å; L488-I510 HydrophobicContact CB-CG2 3.78Å; L488-I510 HydrophobicContact CD1-CD1 4.35Å; L488-I510 HydrophobicContact CD1-CG2 4.2Å; L488-A756 HydrophobicContact CD1-CB 3.55Å; L488-P758 HydrophobicContact CB-CG 4.36Å; L488-P758 HydrophobicContact CD2-CG 4.26Å |
| 489 | V | 92.6 | Very high | 92.7 | Very high | 55 Ų | 55 | 25.2 Ų | 25.2 | 33% | 0.333 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -62.3 | -39.1 | -179.1 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | V485 G486 V509 I510 | V485-V489 HydrophobicContact CG1-CG2 4.18Å; V485-V489 WeakPolarHBondContact O-CB 3.36Å; V485-V489 VanDerWaalsContact O-CG2 3.25Å; V485-V489 WeakPolarHBondContact O-CG2 3.49Å; V485-V489 PolarHBondContact O-N 2.89Å; G486-V489 PolarHBondContact O-N 3.04Å; V489-V509 HydrophobicContact CG2-CB 3.86Å; V489-V509 HydrophobicContact CG2-CG2 3.88Å; V489-I510 HydrophobicContact CG2-CG2 3.83Å |
| 490 | Y | 91 | Very high | 93.2 | Very high | 32 Ų | 32 | 19 Ų | 19 | 13% | 0.125 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 12.9 | -179 | -54.9 | -49.1 | 0 | 0 | 0 | 113.7 | K203 I480 W481 G486 L488 K492 | K203-Y490 HydrophobicContact CB-CD1 3.97Å; K203-Y490 HydrophobicContact CB-CD2 4.5Å; K203-Y490 HydrophobicContact CB-CE1 3.67Å; K203-Y490 HydrophobicContact CB-CE2 4.23Å; K203-Y490 HydrophobicContact CB-CG 4.4Å; K203-Y490 HydrophobicContact CG-CE1 4.36Å; K203-Y490 HydrophobicContact CG-CE2 4.1Å; I480-Y490 WeakPolarHBondContact CA-OH 2.97Å; I480-Y490 HydrophobicContact CG2-CE2 4.21Å; I480-Y490 WeakPolarHBondContact CG2-OH 3.38Å; W481-Y490 PolarHBondContact N-OH 3.26Å; W481-Y490 VanDerWaalsContact N-OH 3.17Å; W481-Y490 WeakPolarHBondContact O-CE2 3.36Å; G486-Y490 VanDerWaalsContact O-CB 3.31Å; G486-Y490 WeakPolarHBondContact O-CB 3.39Å; G486-Y490 WeakPolarHBondContact O-CD2 3.3Å; G486-Y490 PolarHBondContact O-N 2.84Å; L488-Y490 VanDerWaalsContact C-N 3.3Å; L488-Y490 PolarHBondContact O-N 2.85Å; Y490-K492 VanDerWaalsContact C-N 3.26Å; Y490-K492 PolarHBondContact O-N 3.34Å |
| 491 | G | 87.2 | Confident | 93.5 | Very high | 27 Ų | 27 | 17.5 Ų | 17.5 | 28% | 0.278 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 21.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | G232 E487 L488 | G232-G491 WeakPolarHBondContact CA-O 3.4Å; E487-G491 PolarHBondContact O-N 2.72Å; L488-G491 PolarHBondContact O-N 2.69Å |
| 492 | K | 90.5 | Very high | 93.7 | Very high | 113 Ų | 113 | 19 Ų | 19 | 49% | 0.491 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -76 | -33.9 | 175.2 | -63.9 | -175.6 | 173 | -173.1 | 0 | 112 | E487 Y490 | E487-K492 HydrophobicContact CB-CB 4.09Å; E487-K492 HydrophobicContact CG-CB 4.29Å; E487-K492 HydrophobicContact CG-CD 4.22Å; E487-K492 WeakPolarHBondContact O-CA 3.27Å; E487-K492 WeakPolarHBondContact O-CB 3.41Å; E487-K492 PolarHBondContact O-N 3.4Å; Y490-K492 VanDerWaalsContact C-N 3.26Å; Y490-K492 PolarHBondContact O-N 3.34Å |
| 493 | A | 93.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | trans | -124.6 | 152.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V417 T419 E487 L488 | V417-A493 HydrophobicContact CG1-CB 4.15Å; T419-A493 HydrophobicContact CG2-CB 3.65Å; E487-A493 HydrophobicContact CB-CB 4.08Å; E487-A493 PolarHBondContact O-N 3.18Å; L488-A493 HydrophobicContact CD2-CB 4.01Å | ||
| 494 | D | 93.5 | Very high | 93.8 | Very high | 27 Ų | 27 | 24.6 Ų | 24.6 | 14% | 0.144 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -95.2 | -25.4 | -176.9 | -58.1 | -49.7 | 0 | 0 | 0 | 112.3 | K231 V416 V417 P758 | K231-D494 WeakPolarHBondContact CE-OD1 3.43Å; K231-D494 IonicContact NZ-OD1 3.06Å; K231-D494 PolarHBondContact NZ-OD1 2.92Å; K231-D494 IonicContact NZ-OD2 3.6Å; K231-D494 PolarHBondContact NZ-OD2 3.36Å; V416-D494 HydrophobicContact CG1-CB 3.75Å; V417-D494 PolarHBondContact N-OD2 3.24Å; V417-D494 PolarHBondContact O-N 3.01Å; D494-P758 WeakPolarHBondContact O-CD 3.5Å |
| 495 | I | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 148.5 | -179.7 | -167.3 | 169.9 | 0 | 0 | 0 | 109.9 | V416 V417 V418 T419 I497 I755 A756 T757 V767 | V416-I495 HydrophobicContact CG1-CB 4.41Å; V416-I495 HydrophobicContact CG1-CG2 3.61Å; V417-I495 PolarHBondContact O-N 2.72Å; V418-I495 CarbonylContact C-O 3.57Å; V418-I495 WeakPolarHBondContact CA-O 3.31Å; V418-I495 HydrophobicContact CB-CG2 4.1Å; V418-I495 HydrophobicContact CG1-CG2 4.23Å; V418-I495 HydrophobicContact CG2-CG2 3.58Å; T419-I495 PolarHBondContact N-O 3.11Å; I495-I497 HydrophobicContact CD1-CD1 4.46Å; I495-I497 HydrophobicContact CD1-CG1 4.37Å; I495-I497 HydrophobicContact CG1-CG1 4.34Å; I495-I755 HydrophobicContact CD1-CG2 3.64Å; I495-I755 HydrophobicContact CG1-CG2 3.63Å; I495-A756 WeakPolarHBondContact CA-O 3.28Å; I495-A756 WeakPolarHBondContact CG1-O 3.42Å; I495-T757 HydrophobicContact CD1-CG2 4.23Å; I495-T757 HydrophobicContact CG1-CG2 3.96Å; I495-V767 HydrophobicContact CD1-CG1 4.38Å; I495-V767 HydrophobicContact CD1-CG2 3.77Å |
| 496 | A | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 112.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | T419 L488 A756 | T419-A496 HydrophobicContact CG2-CB 3.53Å; T419-A496 WeakPolarHBondContact O-CA 3.49Å; L488-A496 HydrophobicContact CD1-CB 3.78Å; L488-A496 HydrophobicContact CD2-CB 4.36Å; L488-A496 HydrophobicContact CG-CB 4.29Å; A496-A756 HydrophobicContact CB-CB 4.24Å; A496-A756 PolarHBondContact N-O 2.76Å; A496-A756 PolarHBondContact O-N 3.37Å; A496-A756 VanDerWaalsContact O-N 3.15Å |
| 497 | I | 97.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | trans | -108.7 | 93.5 | 173.3 | -56.3 | 178.7 | 0 | 0 | 0 | 107 | V418 T419 T420 C446 L449 A450 I495 I755 | V418-I497 HydrophobicContact CG1-CB 3.97Å; V418-I497 HydrophobicContact CG1-CD1 4.15Å; V418-I497 HydrophobicContact CG1-CG1 4Å; T419-I497 PolarHBondContact O-N 2.86Å; T420-I497 WeakPolarHBondContact CB-O 2.86Å; T420-I497 PolarHBondContact OG1-O 3.05Å; C446-I497 HydrophobicContact CB-CG2 4.23Å; L449-I497 HydrophobicContact CD2-CG2 3.99Å; L449-I497 HydrophobicContact CG-CG2 4.23Å; A450-I497 HydrophobicContact CB-CD1 3.82Å; I495-I497 HydrophobicContact CD1-CD1 4.46Å; I495-I497 HydrophobicContact CD1-CG1 4.37Å; I495-I497 HydrophobicContact CG1-CG1 4.34Å; I497-I755 HydrophobicContact CG1-CD1 4.49Å; I497-I755 HydrophobicContact CG1-CG2 3.95Å | ||
| 498 | A | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -154.8 | 167 | -171 | 0 | 0 | 0 | 0 | 0 | 109.8 | M484 L500 | M484-A498 HydrophobicContact CE-CB 3.7Å; M484-A498 HydrophobicContact SD-CB 3.45Å; M484-A498 WeakPolarHBondContact SD-CB 3.48Å; A498-L500 PolarHBondContact O-N 3.44Å |
| 499 | P | 95.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -70.3 | 63.5 | 169 | 29 | -33.9 | 0 | 0 | 0 | 111.2 | I421 Y426 Y471 Y753 | I421-P499 HydrophobicContact CG2-CG 4.33Å; Y426-P499 HydrophobicContact CD1-CB 4.04Å; Y426-P499 HydrophobicContact CD1-CG 4.25Å; Y426-P499 HydrophobicContact CD2-CB 3.98Å; Y426-P499 HydrophobicContact CD2-CG 3.63Å; Y426-P499 HydrophobicContact CE1-CB 3.94Å; Y426-P499 HydrophobicContact CE2-CB 3.85Å; Y426-P499 HydrophobicContact CE2-CG 3.96Å; Y426-P499 HydrophobicContact CG-CB 4.06Å; Y426-P499 HydrophobicContact CG-CG 3.78Å; Y471-P499 HydrophobicContact CE1-CG 4.16Å; Y471-P499 WeakPolarHBondContact CE1-O 3.29Å; P499-Y753 VanDerWaalsContact C-CD1 3.44Å; P499-Y753 HydrophobicContact CB-CD1 4.27Å; P499-Y753 HydrophobicContact CB-CD2 4.14Å; P499-Y753 HydrophobicContact CB-CE1 3.82Å; P499-Y753 HydrophobicContact CB-CE2 3.68Å; P499-Y753 HydrophobicContact CB-CG 4.42Å; P499-Y753 WeakPolarHBondContact O-CE1 3.17Å |
| 500 | L | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -97.1 | 109.2 | -178.8 | -171.7 | 65.9 | 0 | 0 | 0 | 110 | M484 V485 A498 I502 I510 F512 Y753 G754 A756 | M484-L500 HydrophobicContact CE-CD1 4.39Å; V485-L500 HydrophobicContact CG2-CD1 4.27Å; V485-L500 HydrophobicContact CG2-CD2 4.35Å; A498-L500 PolarHBondContact O-N 3.44Å; L500-I502 PolarHBondContact O-N 2.77Å; L500-I510 HydrophobicContact CD2-CD1 4.2Å; L500-F512 HydrophobicContact CB-CE1 4.45Å; L500-F512 HydrophobicContact CD2-CE1 3.72Å; L500-F512 HydrophobicContact CD2-CZ 3.77Å; L500-F512 HydrophobicContact CG-CE1 3.94Å; L500-F512 HydrophobicContact CG-CZ 4.06Å; L500-Y753 WeakPolarHBondContact O-CA 3.4Å; L500-G754 PolarHBondContact O-N 3.05Å; L500-A756 HydrophobicContact CD2-CB 3.81Å | ||
| 501 | T | 94.9 | Very high | 93.8 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -62.7 | 129 | 177.1 | -26.7 | 0 | 0 | 0 | 0 | 110.9 | T503 R506 S675 E726 K751 | T501-T503 HydrophobicContact CG2-CG2 4.47Å; T501-T503 PolarHBondContact O-N 3.35Å; T501-R506 PolarHBondContact O-NH1 3.49Å; T501-S675 PolarHBondContact OG1-OG 2.99Å; T501-E726 PolarHBondContact OG1-OE1 2.94Å; T501-K751 HydrophobicContact CG2-CB 4Å; T501-K751 HydrophobicContact CG2-CD 3.77Å; T501-K751 HydrophobicContact CG2-CG 4.01Å |
| 502 | I | 95.2 | Very high | 94.3 | Very high | 49 Ų | 49 | 31 Ų | 31 | 25% | 0.251 | 16% | 0.156 | S | C | . | . | trans | -67.8 | 123.2 | 170.8 | -55.9 | 173.2 | 0 | 0 | 0 | 108.3 | L500 F512 P515 G752 | L500-I502 PolarHBondContact O-N 2.77Å; I502-F512 HydrophobicContact CD1-CB 4.37Å; I502-F512 HydrophobicContact CG1-CB 4.24Å; I502-F512 HydrophobicContact CG1-CD1 3.7Å; I502-F512 HydrophobicContact CG1-CE1 4.13Å; I502-F512 HydrophobicContact CG1-CG 3.96Å; I502-F512 HydrophobicContact CG2-CD2 4.37Å; I502-F512 HydrophobicContact CG2-CG 4.35Å; I502-P515 HydrophobicContact CD1-CB 4.07Å; I502-G752 PolarHBondContact N-O 3.41Å | ||
| 503 | T | 92.5 | Very high | 94.5 | Very high | 32 Ų | 32 | 26.1 Ų | 26.1 | 20% | 0.196 | 14% | 0.136 | C | C | . | . | trans | -138.8 | 153 | 177.5 | 69.7 | 0 | 0 | 0 | 0 | 110.5 | T501 V505 R506 E507 | T501-T503 HydrophobicContact CG2-CG2 4.47Å; T501-T503 PolarHBondContact O-N 3.35Å; T503-V505 VanDerWaalsContact C-N 3.29Å; T503-V505 PolarHBondContact O-N 2.95Å; T503-V505 WeakPolarHBondContact OG1-CG2 3.38Å; T503-R506 PolarHBondContact O-N 2.89Å; T503-R506 WeakPolarHBondContact OG1-CD 3.32Å; T503-R506 VanDerWaalsContact OG1-CG 3.29Å; T503-R506 WeakPolarHBondContact OG1-CG 3.34Å; T503-E507 PolarHBondContact O-N 3.46Å | ||
| 504 | L | 91.4 | Very high | 94.6 | Very high | 135 Ų | 135 | 31.8 Ų | 31.8 | 71% | 0.707 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -53.9 | -44.1 | -178.6 | -178.2 | 64.6 | 0 | 0 | 0 | 112.7 | R506 E507 E508 | L504-R506 VanDerWaalsContact C-N 3.28Å; L504-R506 PolarHBondContact O-N 3.03Å; L504-E507 PolarHBondContact O-N 3.01Å; L504-E508 PolarHBondContact O-N 2.85Å |
| 505 | V | 92.1 | Very high | 94.7 | Very high | 36 Ų | 36 | 33.5 Ų | 33.5 | 22% | 0.218 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.4 | -24.5 | -179 | -65.6 | 0 | 0 | 0 | 0 | 113.7 | W481 T503 | W481-V505 HydrophobicContact CH2-CB 4.17Å; W481-V505 HydrophobicContact CH2-CG2 4.08Å; W481-V505 WeakPolarHBondContact CH2-O 3.49Å; W481-V505 VanDerWaalsContact CZ2-O 3.3Å; W481-V505 WeakPolarHBondContact CZ2-O 3.31Å; T503-V505 VanDerWaalsContact C-N 3.29Å; T503-V505 PolarHBondContact O-N 2.95Å; T503-V505 WeakPolarHBondContact OG1-CG2 3.38Å |
| 506 | R | 94 | Very high | 94.7 | Very high | 13 Ų | 13 | 34 Ų | 34 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -83.8 | -39.7 | 177.1 | -69.5 | 174.6 | 177.9 | 164.9 | -5.3 | 110.3 | G472 W481 V485 T501 T503 L504 E508 V509 I510 F512 | G472-R506 PolarHBondContact O-NE 3.21Å; G472-R506 PolarHBondContact O-NH2 3.46Å; W481-R506 HydrophobicContact CH2-CG 4.15Å; W481-R506 HydrophobicContact CZ3-CG 4.14Å; V485-R506 HydrophobicContact CG2-CG 4.16Å; T501-R506 PolarHBondContact O-NH1 3.49Å; T503-R506 PolarHBondContact O-N 2.89Å; T503-R506 WeakPolarHBondContact OG1-CD 3.32Å; T503-R506 VanDerWaalsContact OG1-CG 3.29Å; T503-R506 WeakPolarHBondContact OG1-CG 3.34Å; L504-R506 VanDerWaalsContact C-N 3.28Å; L504-R506 PolarHBondContact O-N 3.03Å; R506-E508 PolarHBondContact O-N 3.21Å; R506-V509 VanDerWaalsContact O-CG2 3.31Å; R506-V509 WeakPolarHBondContact O-CG2 3.33Å; R506-V509 PolarHBondContact O-N 3.28Å; R506-I510 HydrophobicContact CB-CD1 4.32Å; R506-I510 HydrophobicContact CB-CG1 4.35Å; R506-I510 WeakPolarHBondContact O-CG1 3.49Å; R506-I510 PolarHBondContact O-N 3.4Å; R506-F512 HydrophobicContact CB-CE2 3.66Å; R506-F512 HydrophobicContact CB-CZ 4Å |
| 507 | E | 92.6 | Very high | 94.5 | Very high | 70 Ų | 70 | 34.5 Ų | 34.5 | 33% | 0.327 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58.4 | -27.6 | 176 | -154.4 | 74.8 | -158.6 | 0 | 0 | 112.8 | T503 L504 V509 I510 F512 | T503-E507 PolarHBondContact O-N 3.46Å; L504-E507 PolarHBondContact O-N 3.01Å; E507-V509 VanDerWaalsContact C-N 3.28Å; E507-V509 PolarHBondContact O-N 2.73Å; E507-I510 CarbonylContact C-O 3.57Å; E507-I510 WeakPolarHBondContact CA-O 3.41Å; E507-F512 WeakPolarHBondContact OE2-CD2 3.27Å |
| 508 | E | 92.8 | Very high | 94.4 | Very high | 106 Ų | 106 | 39.1 Ų | 39.1 | 50% | 0.495 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -33.6 | 175.3 | -74.4 | 174 | -170.5 | 0 | 0 | 112.8 | L504 R506 K759 | L504-E508 PolarHBondContact O-N 2.85Å; R506-E508 PolarHBondContact O-N 3.21Å; E508-K759 PolarHBondContact O-NZ 2.9Å |
| 509 | V | 92.9 | Very high | 94.3 | Very high | 38 Ų | 38 | 39.4 Ų | 39.4 | 23% | 0.23 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -22.2 | -169.4 | -60.2 | 0 | 0 | 0 | 0 | 114.4 | W481 V485 V489 R506 E507 | W481-V509 HydrophobicContact CD2-CG2 4.44Å; W481-V509 HydrophobicContact CZ2-CG1 4.29Å; W481-V509 HydrophobicContact CZ2-CG2 3.9Å; V485-V509 HydrophobicContact CG1-CG2 3.88Å; V489-V509 HydrophobicContact CG2-CB 3.86Å; V489-V509 HydrophobicContact CG2-CG2 3.88Å; R506-V509 VanDerWaalsContact O-CG2 3.31Å; R506-V509 WeakPolarHBondContact O-CG2 3.33Å; R506-V509 PolarHBondContact O-N 3.28Å; E507-V509 VanDerWaalsContact C-N 3.28Å; E507-V509 PolarHBondContact O-N 2.73Å |
| 510 | I | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 152.9 | 177.9 | 51.1 | 170.2 | 0 | 0 | 0 | 109.6 | V485 L488 V489 L500 R506 E507 F512 A756 | V485-I510 HydrophobicContact CB-CD1 4.49Å; V485-I510 HydrophobicContact CG1-CD1 4.08Å; V485-I510 HydrophobicContact CG1-CG1 4.48Å; V485-I510 HydrophobicContact CG2-CD1 4.06Å; L488-I510 HydrophobicContact CB-CG2 3.78Å; L488-I510 HydrophobicContact CD1-CD1 4.35Å; L488-I510 HydrophobicContact CD1-CG2 4.2Å; V489-I510 HydrophobicContact CG2-CG2 3.83Å; L500-I510 HydrophobicContact CD2-CD1 4.2Å; R506-I510 HydrophobicContact CB-CD1 4.32Å; R506-I510 HydrophobicContact CB-CG1 4.35Å; R506-I510 WeakPolarHBondContact O-CG1 3.49Å; R506-I510 PolarHBondContact O-N 3.4Å; E507-I510 CarbonylContact C-O 3.57Å; E507-I510 WeakPolarHBondContact CA-O 3.41Å; I510-F512 HydrophobicContact CD1-CE2 3.69Å; I510-F512 HydrophobicContact CD1-CZ 3.7Å; I510-F512 HydrophobicContact CG1-CD2 4.44Å; I510-F512 HydrophobicContact CG1-CE2 3.83Å; I510-F512 HydrophobicContact CG1-CZ 4.37Å; I510-A756 HydrophobicContact CD1-CB 3.79Å |
| 511 | D | 96.2 | Very high | 94.3 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 7% | 0.07 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 132.8 | 177.6 | -74.5 | -23.6 | 0 | 0 | 0 | 110.1 | A756 T757 G760 R764 | D511-A756 WeakPolarHBondContact O-CA 3.37Å; D511-T757 PolarHBondContact N-O 2.94Å; D511-T757 PolarHBondContact O-N 3.34Å; D511-T757 PolarHBondContact O-OG1 3.4Å; D511-G760 PolarHBondContact OD2-N 2.87Å; D511-G760 VanDerWaalsContact OD2-N 3.09Å; D511-R764 HydrophobicContact CB-CG 4.32Å; D511-R764 IonicContact OD1-NH1 3.95Å; D511-R764 PolarHBondContact OD1-NH1 3.35Å; D511-R764 WeakPolarHBondContact OD2-CD 3.44Å; D511-R764 IonicContact OD2-CZ 3.41Å; D511-R764 IonicContact OD2-NE 3.43Å; D511-R764 IonicContact OD2-NH1 2.67Å; D511-R764 PolarHBondContact OD2-NH1 2.85Å |
| 512 | F | 96.3 | Very high | 94.3 | Very high | 10 Ų | 10 | 39.1 Ų | 39.1 | 4% | 0.044 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 151.5 | 173.6 | -74.7 | -92.9 | 0 | 0 | 0 | 112.7 | L500 I502 R506 E507 I510 I755 A756 | L500-F512 HydrophobicContact CB-CE1 4.45Å; L500-F512 HydrophobicContact CD2-CE1 3.72Å; L500-F512 HydrophobicContact CD2-CZ 3.77Å; L500-F512 HydrophobicContact CG-CE1 3.94Å; L500-F512 HydrophobicContact CG-CZ 4.06Å; I502-F512 HydrophobicContact CD1-CB 4.37Å; I502-F512 HydrophobicContact CG1-CB 4.24Å; I502-F512 HydrophobicContact CG1-CD1 3.7Å; I502-F512 HydrophobicContact CG1-CE1 4.13Å; I502-F512 HydrophobicContact CG1-CG 3.96Å; I502-F512 HydrophobicContact CG2-CD2 4.37Å; I502-F512 HydrophobicContact CG2-CG 4.35Å; R506-F512 HydrophobicContact CB-CE2 3.66Å; R506-F512 HydrophobicContact CB-CZ 4Å; E507-F512 WeakPolarHBondContact OE2-CD2 3.27Å; I510-F512 HydrophobicContact CD1-CE2 3.69Å; I510-F512 HydrophobicContact CD1-CZ 3.7Å; I510-F512 HydrophobicContact CG1-CD2 4.44Å; I510-F512 HydrophobicContact CG1-CE2 3.83Å; I510-F512 HydrophobicContact CG1-CZ 4.37Å; F512-I755 CarbonylContact C-O 3.48Å; F512-I755 WeakPolarHBondContact CA-O 3.42Å; F512-A756 HydrophobicContact CD1-CB 4Å; F512-A756 HydrophobicContact CE1-CB 3.81Å; F512-A756 HydrophobicContact CZ-CB 4.22Å |
| 513 | S | 95.4 | Very high | 94.2 | Very high | 10 Ų | 10 | 36.8 Ų | 36.8 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -72.3 | 173 | 162.5 | 72.9 | 0 | 0 | 0 | 0 | 111.3 | I755 | S513-I755 PolarHBondContact N-O 3.32Å; S513-I755 PolarHBondContact OG-N 3.43Å |
| 514 | K | 95.2 | Very high | 94.4 | Very high | 120 Ų | 120 | 35.3 Ų | 35.3 | 52% | 0.522 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -54.4 | 146.2 | 160.6 | -67.6 | -55.2 | 178.8 | -171.9 | 0 | 110.3 | F516 N768 L772 | K514-F516 PolarHBondContact O-N 3.26Å; K514-N768 WeakPolarHBondContact CG-OD1 3.1Å; K514-N768 PolarHBondContact N-OD1 3.49Å; K514-L772 HydrophobicContact CB-CD2 4.25Å; K514-L772 HydrophobicContact CG-CD2 4.13Å; K514-L772 HydrophobicContact CG-CG 4.48Å |
| 515 | P | 96.2 | Very high | 94.5 | Very high | 63 Ų | 63 | 29.3 Ų | 29.3 | 41% | 0.409 | 16% | 0.158 | S | C | . | . | P | Polyproline II helix | trans | -65.5 | 132.3 | -177.7 | 25.7 | -33.4 | 0 | 0 | 0 | 110.4 | I502 Y753 | I502-P515 HydrophobicContact CD1-CB 4.07Å; P515-Y753 CarbonylContact C-O 3.6Å; P515-Y753 WeakPolarHBondContact CA-O 3.46Å |
| 516 | F | 95.2 | Very high | 94.5 | Very high | 12 Ų | 12 | 30.1 Ų | 30.1 | 5% | 0.053 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -94.2 | -12.1 | 177.9 | 67.5 | -99.5 | 0 | 0 | 0 | 112.5 | Y445 L449 K514 Y753 I755 V771 L780 | Y445-F516 HydrophobicContact CD1-CE2 4.49Å; Y445-F516 AromaticContact CE1-CD2 3.92Å; Y445-F516 HydrophobicContact CE1-CD2 3.92Å; Y445-F516 AromaticContact CE1-CE2 3.58Å; Y445-F516 HydrophobicContact CE1-CE2 3.58Å; L449-F516 HydrophobicContact CD2-CD1 4.35Å; L449-F516 HydrophobicContact CD2-CD2 4.14Å; L449-F516 HydrophobicContact CD2-CE1 4.35Å; L449-F516 HydrophobicContact CD2-CE2 4.17Å; L449-F516 HydrophobicContact CD2-CG 4.24Å; L449-F516 HydrophobicContact CD2-CZ 4.25Å; K514-F516 PolarHBondContact O-N 3.26Å; F516-Y753 WeakPolarHBondContact CD1-O 3.44Å; F516-Y753 HydrophobicContact CE2-CD2 4.35Å; F516-Y753 VanDerWaalsContact CZ-CB 3.4Å; F516-Y753 HydrophobicContact CZ-CD2 4.26Å; F516-Y753 HydrophobicContact CZ-CG 4.26Å; F516-Y753 PolarHBondContact N-O 3.27Å; F516-I755 HydrophobicContact CD1-CG1 4.12Å; F516-I755 HydrophobicContact CE1-CG1 4.29Å; F516-V771 HydrophobicContact CB-CG1 3.9Å; F516-L780 HydrophobicContact CB-CD1 3.98Å |
| 517 | M | 94 | Very high | 94.2 | Very high | 10 Ų | 10 | 32.7 Ų | 32.7 | 5% | 0.049 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 122.9 | 178.1 | -173.5 | 175.4 | -70.5 | 0 | 0 | 110.2 | Y445 T728 G752 Y753 K784 W788 | Y445-M517 HydrophobicContact CD2-CE 4.42Å; Y445-M517 HydrophobicContact CE1-CE 3.93Å; Y445-M517 HydrophobicContact CE2-CE 3.78Å; M517-T728 HydrophobicContact CG-CG2 4.04Å; M517-T728 HydrophobicContact SD-CG2 3.45Å; M517-T728 WeakPolarHBondContact SD-CG2 3.23Å; M517-G752 WeakPolarHBondContact O-CA 3.49Å; M517-Y753 HydrophobicContact CB-CD2 4.29Å; M517-Y753 PolarHBondContact O-N 3.42Å; M517-Y753 HydrophobicContact SD-CD2 4.3Å; M517-Y753 HydrophobicContact SD-CE2 4.43Å; M517-K784 HydrophobicContact CE-CB 4.41Å; M517-K784 HydrophobicContact CE-CD 4.38Å; M517-K784 HydrophobicContact CE-CG 4.24Å; M517-W788 HydrophobicContact CE-CH2 4.01Å; M517-W788 HydrophobicContact CE-CZ3 4.24Å; M517-W788 HydrophobicContact SD-CH2 4.39Å |
| 518 | S | 94.1 | Very high | 93.6 | Very high | 99 Ų | 99 | 31.1 Ų | 31.1 | 69% | 0.692 | 17% | 0.165 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 139.8 | 174.9 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 519 | L | 94.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 176.4 | -177.8 | 63.2 | 94.4 | 0 | 0 | 0 | 111 | E726 S727 T728 K751 Y753 | L519-E726 HydrophobicContact CD1-CB 3.99Å; L519-E726 HydrophobicContact CD1-CG 3.77Å; L519-S727 WeakPolarHBondContact CA-OG 3.39Å; L519-T728 HydrophobicContact CB-CG2 3.81Å; L519-T728 HydrophobicContact CD2-CG2 4.21Å; L519-K751 HydrophobicContact CD1-CB 3.64Å; L519-K751 HydrophobicContact CD1-CD 4.39Å; L519-K751 HydrophobicContact CG-CB 4.19Å; L519-K751 PolarHBondContact N-O 2.93Å; L519-K751 CarbonylContact O-C 3.48Å; L519-K751 WeakPolarHBondContact O-CA 3.39Å; L519-K751 PolarHBondContact O-N 3.05Å; L519-Y753 HydrophobicContact CD2-CD1 3.56Å; L519-Y753 HydrophobicContact CD2-CD2 3.56Å; L519-Y753 HydrophobicContact CD2-CE1 3.33Å; L519-Y753 HydrophobicContact CD2-CE2 3.32Å; L519-Y753 HydrophobicContact CD2-CG 3.66Å |
| 520 | G | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -157.9 | 177.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S522 E726 S727 N747 D749 | G520-S522 PolarHBondContact O-N 2.82Å; G520-E726 CarbonylContact O-C 3.51Å; G520-E726 WeakPolarHBondContact O-CA 3.44Å; G520-S727 PolarHBondContact N-OG 2.73Å; G520-S727 WeakPolarHBondContact O-CB 3.42Å; G520-S727 PolarHBondContact O-N 3.49Å; G520-N747 PolarHBondContact N-ND2 3.25Å; G520-D749 WeakPolarHBondContact CA-O 3.27Å; G520-D749 WeakPolarHBondContact CA-OD1 3.37Å | ||
| 521 | I | 94.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 127.1 | 173.1 | -57.1 | 163.8 | 0 | 0 | 0 | 107.7 | T676 F679 F680 L724 N747 L748 D749 | I521-T676 HydrophobicContact CD1-CG2 3.84Å; I521-T676 HydrophobicContact CG1-CG2 3.91Å; I521-T676 HydrophobicContact CG2-CG2 3.95Å; I521-F679 HydrophobicContact CD1-CB 4.35Å; I521-F679 HydrophobicContact CD1-CD1 3.33Å; I521-F679 HydrophobicContact CD1-CD2 4.47Å; I521-F679 HydrophobicContact CD1-CE1 3.63Å; I521-F679 HydrophobicContact CD1-CG 3.8Å; I521-F679 HydrophobicContact CD1-CZ 4.31Å; I521-F680 HydrophobicContact CD1-CE2 4.35Å; I521-L724 HydrophobicContact CG2-CB 4.3Å; I521-N747 CarbonylContact O-C 3.47Å; I521-N747 WeakPolarHBondContact O-CA 3.15Å; I521-L748 HydrophobicContact CB-CB 4.22Å; I521-L748 HydrophobicContact CB-CD1 4.29Å; I521-L748 HydrophobicContact CB-CG 4.49Å; I521-L748 HydrophobicContact CG2-CD1 3.86Å; I521-L748 PolarHBondContact O-N 3.02Å; I521-D749 VanDerWaalsContact CD1-OD2 3.31Å; I521-D749 WeakPolarHBondContact CD1-OD2 3.31Å; I521-D749 PolarHBondContact N-OD1 2.88Å |
| 522 | S | 94.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 160 | 178.3 | 70.4 | 0 | 0 | 0 | 0 | 110.1 | G520 L725 S727 N730 | G520-S522 PolarHBondContact O-N 2.82Å; S522-L725 PolarHBondContact N-O 3.4Å; S522-L725 PolarHBondContact O-N 3.21Å; S522-L725 VanDerWaalsContact O-N 3.16Å; S522-L725 VanDerWaalsContact O-O 3.09Å; S522-L725 PolarHBondContact OG-O 2.98Å; S522-S727 WeakPolarHBondContact OG-CA 3.31Å; S522-N730 VanDerWaalsContact OG-CB 3.25Å; S522-N730 WeakPolarHBondContact OG-CB 3.35Å; S522-N730 PolarHBondContact OG-ND2 2.87Å |
| 523 | I | 95 | Very high | 86.7 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 120.5 | -179.6 | -51.3 | 171.2 | 0 | 0 | 0 | 107.7 | I525 A657 L660 A722 L724 N730 K743 V744 | I523-I525 HydrophobicContact CG2-CG2 4.07Å; I523-A657 HydrophobicContact CD1-CB 4.06Å; I523-L660 HydrophobicContact CD1-CD1 3.97Å; I523-L660 HydrophobicContact CG1-CD1 4.39Å; I523-L660 HydrophobicContact CG2-CD1 3.97Å; I523-A722 HydrophobicContact CG2-CB 4.14Å; I523-L724 HydrophobicContact CB-CD2 4.27Å; I523-L724 HydrophobicContact CG1-CD2 3.71Å; I523-L724 HydrophobicContact CG2-CD2 4.32Å; I523-N730 PolarHBondContact O-ND2 3.48Å; I523-N730 VanDerWaalsContact O-ND2 3.09Å; I523-K743 WeakPolarHBondContact O-CA 3.46Å; I523-V744 HydrophobicContact CB-CG2 3.67Å; I523-V744 HydrophobicContact CG2-CG2 3.65Å; I523-V744 PolarHBondContact O-N 3.46Å; I523-V744 VanDerWaalsContact O-N 3.08Å |
| 524 | M | 94.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 124.5 | 169.3 | 176.8 | -176.8 | -72.6 | 0 | 0 | 109.2 | V711 V714 A722 Y723 L725 N730 I733 T741 | M524-V711 HydrophobicContact CE-CG2 4.2Å; M524-V711 HydrophobicContact SD-CG2 3.97Å; M524-V714 HydrophobicContact CG-CG1 4.39Å; M524-A722 WeakPolarHBondContact O-CA 3.26Å; M524-Y723 PolarHBondContact N-O 3.38Å; M524-Y723 PolarHBondContact O-N 2.9Å; M524-L725 HydrophobicContact CB-CD2 3.44Å; M524-L725 VanDerWaalsContact CB-CD2 3.44Å; M524-L725 HydrophobicContact CE-CD1 3.86Å; M524-L725 HydrophobicContact CE-CD2 3.95Å; M524-L725 HydrophobicContact CG-CD2 4.47Å; M524-L725 HydrophobicContact SD-CD2 4.38Å; M524-N730 WeakPolarHBondContact CB-OD1 3.41Å; M524-N730 HydrophobicContact CE-CB 4.39Å; M524-N730 VanDerWaalsContact CE-OD1 3.28Å; M524-N730 WeakPolarHBondContact CE-OD1 3.48Å; M524-I733 HydrophobicContact CE-CB 3.65Å; M524-I733 HydrophobicContact CE-CG1 4.15Å; M524-I733 HydrophobicContact CE-CG2 3.63Å; M524-I733 HydrophobicContact SD-CG2 4.34Å; M524-T741 HydrophobicContact CG-CG2 4.17Å; M524-T741 HydrophobicContact SD-CG2 3.92Å |
| 525 | I | 93.8 | Very high | 84.6 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 5% | 0.051 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 166.6 | 169 | 64.3 | 167.4 | 0 | 0 | 0 | 109.8 | I523 S652 I654 A722 T741 M742 V744 | I523-I525 HydrophobicContact CG2-CG2 4.07Å; I525-S652 WeakPolarHBondContact CD1-OG 3.46Å; I525-I654 HydrophobicContact CG2-CD1 4.16Å; I525-A722 HydrophobicContact CG2-CB 3.96Å; I525-T741 WeakPolarHBondContact O-CA 3.36Å; I525-M742 HydrophobicContact CD1-CG 4.08Å; I525-M742 HydrophobicContact CD1-SD 4.09Å; I525-M742 HydrophobicContact CG1-CG 3.58Å; I525-M742 HydrophobicContact CG1-SD 4.26Å; I525-M742 PolarHBondContact N-O 2.78Å; I525-M742 VanDerWaalsContact N-O 3.15Å; I525-M742 PolarHBondContact O-N 3.22Å; I525-V744 HydrophobicContact CD1-CG1 3.44Å; I525-V744 VanDerWaalsContact CD1-CG1 3.44Å; I525-V744 HydrophobicContact CD1-CG2 4.3Å; I525-V744 HydrophobicContact CG1-CG1 3.75Å; I525-V744 HydrophobicContact CG1-CG2 4.25Å; I525-V744 HydrophobicContact CG2-CG2 4.06Å |
| 526 | K | 92.1 | Very high | 83.7 | Confident | 52 Ų | 52 | 52.5 Ų | 52.5 | 23% | 0.226 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 128.7 | 167.9 | -170.2 | 173.8 | -174.4 | 162 | 0 | 108.7 | V714 R715 D740 | K526-V714 HydrophobicContact CB-CG1 4.15Å; K526-V714 VanDerWaalsContact N-CG1 3.34Å; K526-R715 PolarHBondContact NZ-O 3.2Å; K526-D740 CarbonylContact C-O 3.55Å; K526-D740 VanDerWaalsContact CA-O 3.31Å; K526-D740 WeakPolarHBondContact CA-O 3.34Å; K526-D740 WeakPolarHBondContact CG-O 3.46Å |
| 527 | K | 88 | Confident | 83 | Confident | 67 Ų | 67 | 52.4 Ų | 52.4 | 29% | 0.291 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 123.1 | 173.2 | -170.4 | 172.1 | -176.4 | 173.2 | 0 | 108.6 | Q529 D740 M742 | K527-Q529 PolarHBondContact O-N 2.97Å; K527-D740 PolarHBondContact N-O 2.7Å; K527-M742 HydrophobicContact CB-CB 4.42Å; K527-M742 HydrophobicContact CB-CG 4.35Å; K527-M742 HydrophobicContact CB-SD 4.44Å; K527-M742 HydrophobicContact CG-SD 4.27Å |
| 528 | P | 81.2 | Confident | 82.4 | Confident | 37 Ų | 37 | 53.7 Ų | 53.7 | 24% | 0.24 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 138 | -179.6 | 25.5 | -32.4 | 0 | 0 | 0 | 109.2 | M650 M742 | P528-M650 HydrophobicContact CG-CB 4.41Å; P528-M742 VanDerWaalsContact CD-SD 3.58Å |
| 529 | Q | 71.9 | Confident | 82.1 | Confident | 170 Ų | 170 | 52 Ų | 52 | 79% | 0.794 | 27% | 0.271 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 147.6 | 169.7 | -66.5 | -176.3 | -37.2 | 0 | 0 | 108.5 | K527 S531 | K527-Q529 PolarHBondContact O-N 2.97Å; Q529-S531 PolarHBondContact O-N 2.93Å |
| 530 | K | 66.3 | Low | 81.7 | Confident | 99 Ų | 99 | 56.4 Ų | 56.4 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | trans | -49.8 | 115.4 | 173.2 | -60.7 | -175.5 | -174.4 | -179.9 | 0 | 107.7 | K532 E648 M650 D800 | K530-K532 PolarHBondContact O-N 2.95Å; K530-E648 VanDerWaalsContact CD-OE2 3.26Å; K530-E648 WeakPolarHBondContact CD-OE2 3.03Å; K530-M650 HydrophobicContact CG-CE 4.19Å; K530-D800 IonicContact NZ-OD2 2.81Å; K530-D800 PolarHBondContact NZ-OD2 3.3Å | ||
| 531 | S | 61.5 | Low | 81.4 | Confident | 93 Ų | 93 | 56.9 Ų | 56.9 | 65% | 0.65 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 124.1 | -172.4 | 46 | 0 | 0 | 0 | 0 | 108.5 | Q529 P533 | Q529-S531 PolarHBondContact O-N 2.93Å; S531-P533 WeakPolarHBondContact O-CD 3.45Å |
| 532 | K | 62.3 | Low | 81.2 | Confident | 185 Ų | 185 | 57.5 Ų | 57.5 | 80% | 0.804 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 125.1 | 172.4 | -68.3 | -175.4 | 178.7 | -177.7 | 0 | 107.6 | K530 G534 | K530-K532 PolarHBondContact O-N 2.95Å; K532-G534 PolarHBondContact O-N 2.78Å |
| 533 | P | 65.8 | Low | 81 | Confident | 34 Ų | 34 | 59.9 Ų | 59.9 | 22% | 0.221 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 140.9 | 178.4 | -25.2 | 34.7 | 0 | 0 | 0 | 110 | S531 S537 N812 | S531-P533 WeakPolarHBondContact O-CD 3.45Å; P533-S537 VanDerWaalsContact CB-OG 3.27Å; P533-S537 WeakPolarHBondContact CB-OG 3.44Å; P533-N812 WeakPolarHBondContact CD-OD1 3.46Å; P533-N812 VanDerWaalsContact CG-OD1 3.26Å; P533-N812 WeakPolarHBondContact CG-OD1 3.42Å |
| 534 | G | 69.8 | Low | 80.9 | Confident | 47 Ų | 47 | 67.6 Ų | 67.6 | 49% | 0.485 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 160.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | K532 F536 S537 | K532-G534 PolarHBondContact O-N 2.78Å; G534-F536 PolarHBondContact O-N 3.19Å; G534-F536 VanDerWaalsContact O-N 3.08Å; G534-S537 VanDerWaalsContact O-CB 3.26Å; G534-S537 WeakPolarHBondContact O-CB 3.26Å; G534-S537 PolarHBondContact O-N 2.85Å; G534-S537 PolarHBondContact O-OG 2.81Å |
| 535 | V | 76.7 | Confident | 80.8 | Confident | 61 Ų | 61 | 73.6 Ų | 73.6 | 37% | 0.37 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -28.5 | 177.7 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | G815 Y818 | V535-G815 VanDerWaalsContact CG1-CA 3.42Å; V535-G815 VanDerWaalsContact O-CA 3.28Å; V535-G815 WeakPolarHBondContact O-CA 3.47Å; V535-G815 PolarHBondContact O-N 3.33Å; V535-Y818 HydrophobicContact CG1-CD2 3.67Å; V535-Y818 HydrophobicContact CG1-CE2 3.75Å |
| 536 | F | 78.5 | Confident | 80.8 | Confident | 120 Ų | 120 | 76.2 Ų | 76.2 | 53% | 0.526 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 17.6 | 179.7 | -60.6 | -67.8 | 0 | 0 | 0 | 114.3 | G534 F538 L539 | G534-F536 PolarHBondContact O-N 3.19Å; G534-F536 VanDerWaalsContact O-N 3.08Å; F536-F538 HydrophobicContact CD1-CE1 4Å; F536-F538 HydrophobicContact CD1-CZ 4.14Å; F536-F538 PolarHBondContact O-N 3.35Å; F536-L539 HydrophobicContact CB-CD1 4.23Å; F536-L539 WeakPolarHBondContact O-CB 3.35Å; F536-L539 PolarHBondContact O-N 3.1Å |
| 537 | S | 78.8 | Confident | 80.8 | Confident | 10 Ų | 10 | 77.5 Ų | 77.5 | 7% | 0.07 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -60.2 | -18.9 | -178.4 | 51.4 | 0 | 0 | 0 | 0 | 114.8 | P533 G534 L539 D540 | P533-S537 VanDerWaalsContact CB-OG 3.27Å; P533-S537 WeakPolarHBondContact CB-OG 3.44Å; G534-S537 VanDerWaalsContact O-CB 3.26Å; G534-S537 WeakPolarHBondContact O-CB 3.26Å; G534-S537 PolarHBondContact O-N 2.85Å; G534-S537 PolarHBondContact O-OG 2.81Å; S537-L539 PolarHBondContact O-N 3.23Å; S537-D540 WeakPolarHBondContact CA-OD2 3.26Å; S537-D540 WeakPolarHBondContact O-CB 3.35Å; S537-D540 PolarHBondContact O-N 3.19Å |
| 538 | F | 82.7 | Confident | 81.1 | Confident | 37 Ų | 37 | 77.8 Ų | 77.8 | 16% | 0.162 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -67.7 | -13.7 | 172.7 | 68.3 | -90.3 | 0 | 0 | 0 | 113.4 | F536 P541 Y637 V816 I819 | F536-F538 HydrophobicContact CD1-CE1 4Å; F536-F538 HydrophobicContact CD1-CZ 4.14Å; F536-F538 PolarHBondContact O-N 3.35Å; F538-P541 WeakPolarHBondContact O-CD 3.45Å; F538-Y637 WeakPolarHBondContact O-CE2 3.43Å; F538-Y637 PolarHBondContact O-OH 2.92Å; F538-V816 HydrophobicContact CD1-CG2 3.87Å; F538-V816 HydrophobicContact CD2-CG2 4.41Å; F538-V816 HydrophobicContact CE1-CG2 4.12Å; F538-V816 HydrophobicContact CG-CG2 4.04Å; F538-I819 HydrophobicContact CE1-CD1 4.48Å; F538-I819 HydrophobicContact CE2-CD1 4.33Å; F538-I819 HydrophobicContact CZ-CD1 3.59Å |
| 539 | L | 87.2 | Confident | 81.7 | Confident | 65 Ų | 65 | 79.9 Ų | 79.9 | 34% | 0.34 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -85.4 | -24.6 | 174 | -62.6 | 178.1 | 0 | 0 | 0 | 112.7 | F536 S537 L542 W547 | F536-L539 HydrophobicContact CB-CD1 4.23Å; F536-L539 WeakPolarHBondContact O-CB 3.35Å; F536-L539 PolarHBondContact O-N 3.1Å; S537-L539 PolarHBondContact O-N 3.23Å; L539-L542 PolarHBondContact O-N 3.4Å; L539-W547 HydrophobicContact CD2-CH2 4.37Å; L539-W547 HydrophobicContact CD2-CZ2 3.79Å; L539-W547 PolarHBondContact O-NE1 3.38Å |
| 540 | D | 85.5 | Confident | 82.7 | Confident | 96 Ų | 96 | 72.3 Ų | 72.3 | 51% | 0.513 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -29.3 | -175.7 | -61.3 | -16.6 | 0 | 0 | 0 | 115.7 | S537 L542 F644 | S537-D540 WeakPolarHBondContact CA-OD2 3.26Å; S537-D540 WeakPolarHBondContact O-CB 3.35Å; S537-D540 PolarHBondContact O-N 3.19Å; D540-L542 PolarHBondContact O-N 2.9Å; D540-L542 VanDerWaalsContact O-N 3.12Å; D540-F644 HydrophobicContact CB-CE2 4.31Å; D540-F644 HydrophobicContact CB-CZ 4.22Å |
| 541 | P | 88.2 | Confident | 84 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 7% | 0.071 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -18.7 | 178.3 | -26.2 | 35.2 | 0 | 0 | 0 | 115.1 | F538 Y637 N640 L641 | F538-P541 WeakPolarHBondContact O-CD 3.45Å; P541-Y637 HydrophobicContact CB-CD2 4.02Å; P541-Y637 HydrophobicContact CB-CE2 3.95Å; P541-Y637 HydrophobicContact CG-CE2 4.01Å; P541-N640 HydrophobicContact CB-CB 3.86Å; P541-N640 PolarHBondContact O-ND2 2.7Å; P541-L641 HydrophobicContact CB-CB 4.38Å; P541-L641 HydrophobicContact CG-CB 4.03Å; P541-L641 HydrophobicContact CG-CD1 3.79Å |
| 542 | L | 90.3 | Very high | 85.5 | Confident | 13 Ų | 13 | 73.2 Ų | 73.2 | 7% | 0.068 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -122.2 | 132.4 | 172.5 | -74.5 | 174.3 | 0 | 0 | 0 | 109.4 | L539 D540 I546 W547 I550 Y637 | L539-L542 PolarHBondContact O-N 3.4Å; D540-L542 PolarHBondContact O-N 2.9Å; D540-L542 VanDerWaalsContact O-N 3.12Å; L542-I546 HydrophobicContact CD2-CD1 3.99Å; L542-I546 HydrophobicContact CD2-CG2 4.21Å; L542-W547 HydrophobicContact CD1-CZ2 4.31Å; L542-W547 PolarHBondContact O-NE1 2.99Å; L542-I550 HydrophobicContact CD1-CD1 4.43Å; L542-Y637 HydrophobicContact CD1-CD2 3.84Å; L542-Y637 HydrophobicContact CD1-CG 4.38Å; L542-Y637 HydrophobicContact CG-CD2 3.96Å |
| 543 | A | 91.6 | Very high | 87 | Confident | 49 Ų | 49 | 66 Ų | 66 | 41% | 0.405 | 35% | 0.351 | S | S | . | . | trans | -61.2 | 151.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | E545 I546 W547 | A543-E545 VanDerWaalsContact CB-OE2 3.3Å; A543-E545 WeakPolarHBondContact CB-OE2 3.29Å; A543-E545 PolarHBondContact O-N 2.74Å; A543-I546 HydrophobicContact CB-CD1 4.18Å; A543-I546 HydrophobicContact CB-CG1 4.29Å; A543-I546 WeakPolarHBondContact O-CB 3.46Å; A543-I546 PolarHBondContact O-N 3.4Å; A543-W547 PolarHBondContact O-N 3.29Å | ||
| 544 | Y | 91.2 | Very high | 88.3 | Confident | 163 Ų | 163 | 66.5 Ų | 66.5 | 64% | 0.639 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -56.7 | -36.4 | -177.8 | 177.5 | -102.2 | 0 | 0 | 0 | 112.3 | I546 W547 M548 | Y544-I546 VanDerWaalsContact C-N 3.29Å; Y544-I546 PolarHBondContact O-N 3.3Å; Y544-W547 WeakPolarHBondContact O-CB 3.46Å; Y544-W547 PolarHBondContact O-N 3.25Å; Y544-M548 HydrophobicContact CD1-CG 4.3Å; Y544-M548 HydrophobicContact CE1-CG 3.84Å; Y544-M548 HydrophobicContact CE1-SD 4.39Å; Y544-M548 WeakPolarHBondContact O-CG 3.34Å; Y544-M548 PolarHBondContact O-N 3.21Å; Y544-M548 VanDerWaalsContact O-N 3.13Å |
| 545 | E | 93.8 | Very high | 89.4 | Confident | 127 Ų | 127 | 68.2 Ų | 68.2 | 59% | 0.593 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.8 | -38.6 | 177.3 | -60.2 | 77.6 | -171.5 | 0 | 0 | 111.6 | A543 M548 C549 | A543-E545 VanDerWaalsContact CB-OE2 3.3Å; A543-E545 WeakPolarHBondContact CB-OE2 3.29Å; A543-E545 PolarHBondContact O-N 2.74Å; E545-M548 PolarHBondContact O-N 2.97Å; E545-C549 PolarHBondContact O-N 2.94Å; E545-C549 PolarHBondContact O-SG 3.08Å; E545-C549 VanDerWaalsContact O-SG 3.33Å |
| 546 | I | 93.7 | Very high | 90.2 | Very high | 65 Ų | 65 | 66.9 Ų | 66.9 | 33% | 0.333 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69 | -41.8 | 179.7 | -57.4 | 172.8 | 0 | 0 | 0 | 110 | L542 A543 Y544 M548 C549 I550 | L542-I546 HydrophobicContact CD2-CD1 3.99Å; L542-I546 HydrophobicContact CD2-CG2 4.21Å; A543-I546 HydrophobicContact CB-CD1 4.18Å; A543-I546 HydrophobicContact CB-CG1 4.29Å; A543-I546 WeakPolarHBondContact O-CB 3.46Å; A543-I546 PolarHBondContact O-N 3.4Å; Y544-I546 VanDerWaalsContact C-N 3.29Å; Y544-I546 PolarHBondContact O-N 3.3Å; I546-M548 VanDerWaalsContact C-N 3.29Å; I546-M548 PolarHBondContact O-N 2.75Å; I546-C549 PolarHBondContact O-N 2.69Å; I546-I550 HydrophobicContact CG2-CD1 3.97Å; I546-I550 HydrophobicContact CG2-CG1 4.37Å; I546-I550 VanDerWaalsContact O-CG1 3.29Å; I546-I550 WeakPolarHBondContact O-CG1 3.37Å; I546-I550 PolarHBondContact O-N 2.98Å |
| 547 | W | 92.9 | Very high | 90.8 | Very high | 78 Ų | 78 | 62.6 Ų | 62.6 | 30% | 0.295 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.4 | -43.5 | 174.4 | -76.2 | 110.3 | 0 | 0 | 0 | 112 | L539 L542 A543 Y544 I550 V551 | L539-W547 HydrophobicContact CD2-CH2 4.37Å; L539-W547 HydrophobicContact CD2-CZ2 3.79Å; L539-W547 PolarHBondContact O-NE1 3.38Å; L542-W547 HydrophobicContact CD1-CZ2 4.31Å; L542-W547 PolarHBondContact O-NE1 2.99Å; A543-W547 PolarHBondContact O-N 3.29Å; Y544-W547 WeakPolarHBondContact O-CB 3.46Å; Y544-W547 PolarHBondContact O-N 3.25Å; W547-I550 HydrophobicContact CE3-CD1 4.4Å; W547-I550 PolarHBondContact O-N 3.45Å; W547-V551 WeakPolarHBondContact O-CG2 3.37Å; W547-V551 PolarHBondContact O-N 3.27Å; W547-V551 VanDerWaalsContact O-N 3.12Å |
| 548 | M | 92.9 | Very high | 91.4 | Very high | 73 Ų | 73 | 62.4 Ų | 62.4 | 36% | 0.36 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 175.9 | -66.9 | -59.5 | -65.2 | 0 | 0 | 112 | Y544 E545 I546 I550 V551 F552 | Y544-M548 HydrophobicContact CD1-CG 4.3Å; Y544-M548 HydrophobicContact CE1-CG 3.84Å; Y544-M548 HydrophobicContact CE1-SD 4.39Å; Y544-M548 WeakPolarHBondContact O-CG 3.34Å; Y544-M548 PolarHBondContact O-N 3.21Å; Y544-M548 VanDerWaalsContact O-N 3.13Å; E545-M548 PolarHBondContact O-N 2.97Å; I546-M548 VanDerWaalsContact C-N 3.29Å; I546-M548 PolarHBondContact O-N 2.75Å; M548-I550 VanDerWaalsContact C-N 3.33Å; M548-I550 PolarHBondContact O-N 3.03Å; M548-V551 PolarHBondContact O-N 3.48Å; M548-F552 HydrophobicContact CE-CE2 4.32Å; M548-F552 HydrophobicContact CE-CZ 4.33Å; M548-F552 WeakPolarHBondContact O-CD2 3.35Å; M548-F552 PolarHBondContact O-N 3.05Å |
| 549 | C | 94.6 | Very high | 91.7 | Very high | 81 Ų | 81 | 64.1 Ų | 64.1 | 55% | 0.547 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 175.4 | -70.6 | 0 | 0 | 0 | 0 | 112.6 | E545 I546 F552 A553 | E545-C549 PolarHBondContact O-N 2.94Å; E545-C549 PolarHBondContact O-SG 3.08Å; E545-C549 VanDerWaalsContact O-SG 3.33Å; I546-C549 PolarHBondContact O-N 2.69Å; C549-F552 PolarHBondContact O-N 3.44Å; C549-A553 VanDerWaalsContact O-CB 3.26Å; C549-A553 WeakPolarHBondContact O-CB 3.44Å; C549-A553 PolarHBondContact O-N 2.9Å |
| 550 | I | 93.1 | Very high | 91.9 | Very high | 11 Ų | 11 | 64.1 Ų | 64.1 | 6% | 0.056 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62 | -44.7 | 176.4 | -70.4 | 164.9 | 0 | 0 | 0 | 110.5 | L542 I546 W547 M548 A553 Y554 F605 F629 I633 | L542-I550 HydrophobicContact CD1-CD1 4.43Å; I546-I550 HydrophobicContact CG2-CD1 3.97Å; I546-I550 HydrophobicContact CG2-CG1 4.37Å; I546-I550 VanDerWaalsContact O-CG1 3.29Å; I546-I550 WeakPolarHBondContact O-CG1 3.37Å; I546-I550 PolarHBondContact O-N 2.98Å; W547-I550 HydrophobicContact CE3-CD1 4.4Å; W547-I550 PolarHBondContact O-N 3.45Å; M548-I550 VanDerWaalsContact C-N 3.33Å; M548-I550 PolarHBondContact O-N 3.03Å; I550-A553 PolarHBondContact O-N 2.95Å; I550-Y554 VanDerWaalsContact O-CB 3.25Å; I550-Y554 WeakPolarHBondContact O-CB 3.42Å; I550-Y554 PolarHBondContact O-N 3.35Å; I550-F605 HydrophobicContact CG2-CE2 3.83Å; I550-F605 HydrophobicContact CG2-CZ 3.95Å; I550-F629 HydrophobicContact CG1-CZ 4.41Å; I550-I633 HydrophobicContact CD1-CG2 3.82Å |
| 551 | V | 92.8 | Very high | 92 | Very high | 74 Ų | 74 | 59.6 Ų | 59.6 | 45% | 0.448 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 178.1 | 174 | 0 | 0 | 0 | 0 | 111.2 | W547 M548 Y554 I555 | W547-V551 WeakPolarHBondContact O-CG2 3.37Å; W547-V551 PolarHBondContact O-N 3.27Å; W547-V551 VanDerWaalsContact O-N 3.12Å; M548-V551 PolarHBondContact O-N 3.48Å; V551-Y554 PolarHBondContact O-N 3.27Å; V551-I555 HydrophobicContact CG1-CD1 4.12Å; V551-I555 WeakPolarHBondContact O-CG1 3.43Å; V551-I555 PolarHBondContact O-N 3.46Å; V551-I555 VanDerWaalsContact O-N 3.09Å |
| 552 | F | 94.1 | Very high | 92 | Very high | 138 Ų | 138 | 61.8 Ų | 61.8 | 61% | 0.605 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.2 | -42.4 | 176.5 | -70.1 | -48.5 | 0 | 0 | 0 | 112.6 | M548 C549 I555 G556 | M548-F552 HydrophobicContact CE-CE2 4.32Å; M548-F552 HydrophobicContact CE-CZ 4.33Å; M548-F552 WeakPolarHBondContact O-CD2 3.35Å; M548-F552 PolarHBondContact O-N 3.05Å; C549-F552 PolarHBondContact O-N 3.44Å; F552-I555 PolarHBondContact O-N 3.21Å; F552-G556 PolarHBondContact O-N 3.07Å |
| 553 | A | 93.4 | Very high | 91.8 | Very high | 32 Ų | 32 | 64.8 Ų | 64.8 | 26% | 0.264 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C549 I550 G556 V557 W626 F629 | C549-A553 VanDerWaalsContact O-CB 3.26Å; C549-A553 WeakPolarHBondContact O-CB 3.44Å; C549-A553 PolarHBondContact O-N 2.9Å; I550-A553 PolarHBondContact O-N 2.95Å; A553-G556 PolarHBondContact O-N 3.15Å; A553-V557 WeakPolarHBondContact O-CB 3.33Å; A553-V557 VanDerWaalsContact O-CG2 3.28Å; A553-V557 WeakPolarHBondContact O-CG2 3.35Å; A553-V557 PolarHBondContact O-N 3.43Å; A553-W626 HydrophobicContact CB-CZ3 4.12Å; A553-F629 HydrophobicContact CB-CZ 4.45Å |
| 554 | Y | 93 | Very high | 91.6 | Very high | 45 Ų | 45 | 64 Ų | 64 | 18% | 0.176 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.7 | -49.3 | 175.8 | 165.1 | -110.1 | 0 | 0 | 0 | 112.3 | I550 V551 S558 L598 S601 L602 W626 | I550-Y554 VanDerWaalsContact O-CB 3.25Å; I550-Y554 WeakPolarHBondContact O-CB 3.42Å; I550-Y554 PolarHBondContact O-N 3.35Å; V551-Y554 PolarHBondContact O-N 3.27Å; Y554-S558 WeakPolarHBondContact O-CB 3.34Å; Y554-S558 PolarHBondContact O-N 3.27Å; Y554-S558 PolarHBondContact O-OG 2.97Å; Y554-L598 HydrophobicContact CE1-CD1 4.27Å; Y554-L598 HydrophobicContact CE1-CG 4.23Å; Y554-L598 WeakPolarHBondContact OH-CD2 3.38Å; Y554-L598 WeakPolarHBondContact OH-CG 3.42Å; Y554-L598 PolarHBondContact OH-O 3.19Å; Y554-S601 WeakPolarHBondContact CE2-OG 3.5Å; Y554-L602 HydrophobicContact CE2-CB 3.85Å; Y554-L602 HydrophobicContact CE2-CD1 4.37Å; Y554-L602 WeakPolarHBondContact OH-CD1 3.27Å; Y554-W626 HydrophobicContact CD2-CZ2 4.35Å |
| 555 | I | 93 | Very high | 91.1 | Very high | 83 Ų | 83 | 56.2 Ų | 56.2 | 43% | 0.426 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 176.6 | -64 | 167.8 | 0 | 0 | 0 | 109.9 | V551 F552 V557 S558 V559 | V551-I555 HydrophobicContact CG1-CD1 4.12Å; V551-I555 WeakPolarHBondContact O-CG1 3.43Å; V551-I555 PolarHBondContact O-N 3.46Å; V551-I555 VanDerWaalsContact O-N 3.09Å; F552-I555 PolarHBondContact O-N 3.21Å; I555-V557 PolarHBondContact O-N 2.8Å; I555-S558 PolarHBondContact O-N 2.91Å; I555-V559 HydrophobicContact CG2-CG2 4.39Å; I555-V559 WeakPolarHBondContact O-CG2 3.47Å; I555-V559 PolarHBondContact O-N 3.13Å |
| 556 | G | 92.6 | Very high | 90.4 | Very high | 34 Ų | 34 | 56.6 Ų | 56.6 | 35% | 0.351 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.3 | -48 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F552 A553 V559 V560 | F552-G556 PolarHBondContact O-N 3.07Å; A553-G556 PolarHBondContact O-N 3.15Å; G556-V559 PolarHBondContact O-N 3.06Å; G556-V560 WeakPolarHBondContact O-CB 3.34Å; G556-V560 VanDerWaalsContact O-CG2 3.27Å; G556-V560 WeakPolarHBondContact O-CG2 3.46Å; G556-V560 PolarHBondContact O-N 2.76Å |
| 557 | V | 91.5 | Very high | 89.7 | Confident | 29 Ų | 29 | 61.2 Ų | 61.2 | 18% | 0.176 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 177.6 | 170 | 0 | 0 | 0 | 0 | 111.3 | A553 I555 V559 V560 L561 V622 W626 | A553-V557 WeakPolarHBondContact O-CB 3.33Å; A553-V557 VanDerWaalsContact O-CG2 3.28Å; A553-V557 WeakPolarHBondContact O-CG2 3.35Å; A553-V557 PolarHBondContact O-N 3.43Å; I555-V557 PolarHBondContact O-N 2.8Å; V557-V559 VanDerWaalsContact C-N 3.34Å; V557-V559 PolarHBondContact O-N 3.11Å; V557-V560 PolarHBondContact O-N 3.34Å; V557-L561 HydrophobicContact CG1-CD1 4.04Å; V557-L561 HydrophobicContact CG1-CG 4.46Å; V557-L561 WeakPolarHBondContact O-CB 3.17Å; V557-L561 WeakPolarHBondContact O-CG 3.23Å; V557-L561 PolarHBondContact O-N 2.91Å; V557-V622 HydrophobicContact CG1-CG1 4.16Å; V557-W626 HydrophobicContact CB-CD2 4.37Å; V557-W626 HydrophobicContact CB-CE3 4.17Å; V557-W626 HydrophobicContact CB-CZ3 4.5Å; V557-W626 HydrophobicContact CG1-CB 4.09Å; V557-W626 HydrophobicContact CG1-CD2 3.97Å; V557-W626 HydrophobicContact CG1-CE3 4.22Å; V557-W626 HydrophobicContact CG1-CG 3.92Å; V557-W626 HydrophobicContact CG2-CD2 4.24Å; V557-W626 HydrophobicContact CG2-CE3 3.63Å; V557-W626 HydrophobicContact CG2-CZ3 4.01Å |
| 558 | S | 90.4 | Very high | 88.9 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62 | -41.6 | 177.1 | -55 | 0 | 0 | 0 | 0 | 112 | Y554 I555 F562 S601 | Y554-S558 WeakPolarHBondContact O-CB 3.34Å; Y554-S558 PolarHBondContact O-N 3.27Å; Y554-S558 PolarHBondContact O-OG 2.97Å; I555-S558 PolarHBondContact O-N 2.91Å; S558-F562 WeakPolarHBondContact O-CB 3.44Å; S558-F562 PolarHBondContact O-N 3.4Å; S558-S601 WeakPolarHBondContact OG-CB 3.39Å; S558-S601 PolarHBondContact OG-OG 3.48Å |
| 559 | V | 90.6 | Very high | 87.7 | Confident | 74 Ų | 74 | 59.4 Ų | 59.4 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69 | -43.9 | 176.6 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | I555 G556 V557 F562 L563 | I555-V559 HydrophobicContact CG2-CG2 4.39Å; I555-V559 WeakPolarHBondContact O-CG2 3.47Å; I555-V559 PolarHBondContact O-N 3.13Å; G556-V559 PolarHBondContact O-N 3.06Å; V557-V559 VanDerWaalsContact C-N 3.34Å; V557-V559 PolarHBondContact O-N 3.11Å; V559-F562 PolarHBondContact O-N 3.17Å; V559-L563 HydrophobicContact CG1-CD1 3.97Å; V559-L563 HydrophobicContact CG1-CG 4.33Å; V559-L563 VanDerWaalsContact O-CG 3.27Å; V559-L563 WeakPolarHBondContact O-CG 3.4Å; V559-L563 PolarHBondContact O-N 3.19Å |
| 560 | V | 91 | Very high | 86.5 | Confident | 65 Ų | 65 | 64.7 Ų | 64.7 | 39% | 0.394 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 177.5 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | G556 V557 L563 V564 V622 | G556-V560 WeakPolarHBondContact O-CB 3.34Å; G556-V560 VanDerWaalsContact O-CG2 3.27Å; G556-V560 WeakPolarHBondContact O-CG2 3.46Å; G556-V560 PolarHBondContact O-N 2.76Å; V557-V560 PolarHBondContact O-N 3.34Å; V560-L563 PolarHBondContact O-N 3.19Å; V560-V564 HydrophobicContact CG1-CG2 4.14Å; V560-V564 WeakPolarHBondContact O-CB 3.36Å; V560-V564 VanDerWaalsContact O-CG2 3.22Å; V560-V564 WeakPolarHBondContact O-CG2 3.3Å; V560-V564 PolarHBondContact O-N 3.2Å; V560-V622 HydrophobicContact CG1-CG1 4.13Å; V560-V622 HydrophobicContact CG1-CG2 3.85Å |
| 561 | L | 87.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.6 | -50.6 | 173.9 | -81.7 | 171.3 | 0 | 0 | 0 | 111 | V557 L563 V564 S565 F600 V622 | V557-L561 HydrophobicContact CG1-CD1 4.04Å; V557-L561 HydrophobicContact CG1-CG 4.46Å; V557-L561 WeakPolarHBondContact O-CB 3.17Å; V557-L561 WeakPolarHBondContact O-CG 3.23Å; V557-L561 PolarHBondContact O-N 2.91Å; L561-L563 VanDerWaalsContact C-N 3.3Å; L561-L563 PolarHBondContact O-N 2.98Å; L561-V564 PolarHBondContact O-N 3.23Å; L561-S565 VanDerWaalsContact O-CB 3.24Å; L561-S565 WeakPolarHBondContact O-CB 3.34Å; L561-S565 PolarHBondContact O-N 3.49Å; L561-S565 PolarHBondContact O-OG 2.96Å; L561-F600 HydrophobicContact CD1-CD1 3.56Å; L561-F600 HydrophobicContact CD1-CE1 3.86Å; L561-V622 HydrophobicContact CD2-CB 3.97Å; L561-V622 HydrophobicContact CD2-CG1 3.81Å; L561-V622 HydrophobicContact CG-CB 4.44Å; L561-V622 HydrophobicContact CG-CG1 3.72Å |
| 562 | F | 87.3 | Confident | 84.1 | Confident | 57 Ų | 57 | 64.7 Ų | 64.7 | 25% | 0.25 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.3 | -44.4 | 177.6 | 172.1 | -107.9 | 0 | 0 | 0 | 112.7 | S558 V559 R566 I594 | S558-F562 WeakPolarHBondContact O-CB 3.44Å; S558-F562 PolarHBondContact O-N 3.4Å; V559-F562 PolarHBondContact O-N 3.17Å; F562-R566 WeakPolarHBondContact O-CB 3.48Å; F562-R566 PolarHBondContact O-N 3.42Å; F562-I594 HydrophobicContact CD1-CG1 4.3Å; F562-I594 HydrophobicContact CD2-CB 4.46Å; F562-I594 HydrophobicContact CD2-CG1 3.76Å; F562-I594 HydrophobicContact CE1-CG1 4.02Å; F562-I594 HydrophobicContact CE2-CB 4.49Å; F562-I594 HydrophobicContact CE2-CD1 4.42Å; F562-I594 HydrophobicContact CE2-CG1 3.44Å; F562-I594 VanDerWaalsContact CE2-CG1 3.44Å; F562-I594 HydrophobicContact CG-CG1 4.17Å; F562-I594 HydrophobicContact CZ-CD1 4.13Å; F562-I594 HydrophobicContact CZ-CG1 3.58Å |
| 563 | L | 87.4 | Confident | 82.7 | Confident | 77 Ų | 77 | 63.2 Ų | 63.2 | 40% | 0.403 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.7 | -50 | 178 | -67.6 | 173.5 | 0 | 0 | 0 | 111.4 | V559 V560 L561 S565 R566 F567 | V559-L563 HydrophobicContact CG1-CD1 3.97Å; V559-L563 HydrophobicContact CG1-CG 4.33Å; V559-L563 VanDerWaalsContact O-CG 3.27Å; V559-L563 WeakPolarHBondContact O-CG 3.4Å; V559-L563 PolarHBondContact O-N 3.19Å; V560-L563 PolarHBondContact O-N 3.19Å; L561-L563 VanDerWaalsContact C-N 3.3Å; L561-L563 PolarHBondContact O-N 2.98Å; L563-S565 PolarHBondContact O-N 2.82Å; L563-R566 PolarHBondContact O-N 2.84Å; L563-R566 VanDerWaalsContact O-N 3.15Å; L563-F567 HydrophobicContact CB-CD2 4.36Å; L563-F567 HydrophobicContact CB-CE2 4.47Å; L563-F567 HydrophobicContact CD2-CE2 4.12Å; L563-F567 WeakPolarHBondContact O-CD2 3.27Å; L563-F567 PolarHBondContact O-N 2.92Å |
| 564 | V | 86.8 | Confident | 80.9 | Confident | 31 Ų | 31 | 65.6 Ų | 65.6 | 19% | 0.188 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.9 | -40.7 | 179.8 | 170 | 0 | 0 | 0 | 0 | 110.8 | V560 L561 F567 S568 S618 | V560-V564 HydrophobicContact CG1-CG2 4.14Å; V560-V564 WeakPolarHBondContact O-CB 3.36Å; V560-V564 VanDerWaalsContact O-CG2 3.22Å; V560-V564 WeakPolarHBondContact O-CG2 3.3Å; V560-V564 PolarHBondContact O-N 3.2Å; L561-V564 PolarHBondContact O-N 3.23Å; V564-F567 PolarHBondContact O-N 2.85Å; V564-S568 WeakPolarHBondContact O-CB 3.32Å; V564-S568 PolarHBondContact O-N 2.93Å; V564-S568 PolarHBondContact O-OG 2.82Å; V564-S618 VanDerWaalsContact CG1-CB 3.47Å |
| 565 | S | 80.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.9 | -39.4 | 177 | -68.4 | 0 | 0 | 0 | 0 | 113.2 | L561 L563 E571 N590 F592 | L561-S565 VanDerWaalsContact O-CB 3.24Å; L561-S565 WeakPolarHBondContact O-CB 3.34Å; L561-S565 PolarHBondContact O-N 3.49Å; L561-S565 PolarHBondContact O-OG 2.96Å; L563-S565 PolarHBondContact O-N 2.82Å; S565-E571 WeakPolarHBondContact CA-OE2 3.47Å; S565-E571 WeakPolarHBondContact CB-OE2 3.34Å; S565-E571 PolarHBondContact OG-OE2 2.92Å; S565-N590 PolarHBondContact O-ND2 2.81Å; S565-F592 WeakPolarHBondContact OG-CB 3.38Å |
| 566 | R | 79.9 | Confident | 76.8 | Confident | 136 Ų | 136 | 73.6 Ų | 73.6 | 51% | 0.513 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.8 | -36.5 | 177.9 | -167.5 | 69.2 | -178.6 | 83.3 | -12.9 | 112.4 | F562 L563 W572 | F562-R566 WeakPolarHBondContact O-CB 3.48Å; F562-R566 PolarHBondContact O-N 3.42Å; L563-R566 PolarHBondContact O-N 2.84Å; L563-R566 VanDerWaalsContact O-N 3.15Å; R566-W572 PolarHBondContact O-NE1 3.14Å |
| 567 | F | 78.6 | Confident | 74.7 | Confident | 162 Ų | 162 | 80.1 Ų | 80.1 | 71% | 0.711 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -90 | -26.9 | -174.9 | -74.2 | -64.9 | 0 | 0 | 0 | 114.6 | L563 V564 P569 | L563-F567 HydrophobicContact CB-CD2 4.36Å; L563-F567 HydrophobicContact CB-CE2 4.47Å; L563-F567 HydrophobicContact CD2-CE2 4.12Å; L563-F567 WeakPolarHBondContact O-CD2 3.27Å; L563-F567 PolarHBondContact O-N 2.92Å; V564-F567 PolarHBondContact O-N 2.85Å; F567-P569 VanDerWaalsContact O-CD 3.26Å; F567-P569 WeakPolarHBondContact O-CD 3.41Å |
| 568 | S | 75.6 | Confident | 72.6 | Confident | 17 Ų | 17 | 88.1 Ų | 88.1 | 12% | 0.119 | 42% | 0.42 | C | S | . | . | trans | -79.9 | 114.1 | -177.7 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | V564 Y570 E571 | V564-S568 WeakPolarHBondContact O-CB 3.32Å; V564-S568 PolarHBondContact O-N 2.93Å; V564-S568 PolarHBondContact O-OG 2.82Å; S568-Y570 PolarHBondContact O-N 2.88Å; S568-Y570 VanDerWaalsContact O-N 3.12Å; S568-E571 PolarHBondContact O-N 2.97Å | ||
| 569 | P | 68 | Low | 70.4 | Confident | 96 Ų | 96 | 94.8 Ų | 94.8 | 62% | 0.623 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -61.9 | -26.4 | -176.8 | -21 | 33 | 0 | 0 | 0 | 113.1 | F567 E571 W572 | F567-P569 VanDerWaalsContact O-CD 3.26Å; F567-P569 WeakPolarHBondContact O-CD 3.41Å; P569-E571 PolarHBondContact O-N 2.92Å; P569-W572 PolarHBondContact O-N 2.89Å |
| 570 | Y | 69 | Low | 68.1 | Low | 191 Ų | 191 | 95.5 Ų | 95.5 | 75% | 0.749 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -70.8 | -10.8 | -178 | -52.3 | -70.1 | 0 | 0 | 0 | 114.9 | S568 | S568-Y570 PolarHBondContact O-N 2.88Å; S568-Y570 VanDerWaalsContact O-N 3.12Å |
| 571 | E | 68.1 | Low | 65.8 | Low | 13 Ų | 13 | 103.1 Ų | 103.1 | 6% | 0.061 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -91.5 | -15.8 | 174.7 | -90.2 | -179 | -152.2 | 0 | 0 | 113.8 | S565 S568 P569 H573 R615 S616 | S565-E571 WeakPolarHBondContact CA-OE2 3.47Å; S565-E571 WeakPolarHBondContact CB-OE2 3.34Å; S565-E571 PolarHBondContact OG-OE2 2.92Å; S568-E571 PolarHBondContact O-N 2.97Å; P569-E571 PolarHBondContact O-N 2.92Å; E571-H573 PolarHBondContact O-N 2.8Å; E571-R615 HydrophobicContact CG-CB 4.17Å; E571-S616 VanDerWaalsContact OE1-CB 3.24Å; E571-S616 WeakPolarHBondContact OE1-CB 3.32Å; E571-S616 PolarHBondContact OE1-N 3.06Å; E571-S616 PolarHBondContact OE1-OG 3.32Å |
| 572 | W | 69.1 | Low | 63.3 | Low | 73 Ų | 73 | 112.9 Ų | 112.9 | 28% | 0.277 | 55% | 0.545 | S | S | . | . | trans | -77.1 | 119.6 | 173.8 | -64.9 | 75.8 | 0 | 0 | 0 | 108.1 | R566 P569 S588 N590 | R566-W572 PolarHBondContact O-NE1 3.14Å; P569-W572 PolarHBondContact O-N 2.89Å; W572-S588 VanDerWaalsContact CE3-O 3.31Å; W572-S588 VanDerWaalsContact CE3-OG 3.24Å; W572-S588 VanDerWaalsContact CZ3-O 3.23Å; W572-S588 WeakPolarHBondContact CZ3-O 3.44Å; W572-N590 HydrophobicContact CD2-CB 4.34Å; W572-N590 HydrophobicContact CE3-CB 4.34Å; W572-N590 HydrophobicContact CH2-CB 4.24Å; W572-N590 HydrophobicContact CZ2-CB 4.16Å; W572-N590 HydrophobicContact CZ3-CB 4.34Å | ||
| 573 | H | 64.5 | Low | 61.1 | Low | 107 Ų | 107 | 116.3 Ų | 116.3 | 50% | 0.495 | 57% | 0.571 | S | S | . | * | B | Isolated β-bridge | trans | -122.9 | 149.9 | 174.4 | -140.5 | 62.3 | 0 | 0 | 0 | 110.6 | E571 T589 R615 | E571-H573 PolarHBondContact O-N 2.8Å; H573-T589 PolarHBondContact N-O 2.94Å; H573-T589 PolarHBondContact O-N 3.02Å; H573-R615 PolarHBondContact CD2-NH1 3.45Å; H573-R615 VanDerWaalsContact CG-NH1 3.34Å |
| 574 | T | 55.8 | Low | 58.5 | Low | 82 Ų | 82 | 122.2 Ų | 122.2 | 50% | 0.503 | 60% | 0.597 | S | S | . | * | trans | -95.1 | 115.4 | 171.7 | -41.1 | 0 | 0 | 0 | 0 | 105.6 | E576 | T574-E576 PolarHBondContact O-N 3.02Š| ||
| 575 | E | 53.7 | Low | 56.2 | Low | 111 Ų | 111 | 125.4 Ų | 125.4 | 52% | 0.519 | 62% | 0.62 | S | S | . | * | trans | -68.2 | 110.6 | 169.4 | -74.5 | -174.4 | 154.5 | 0 | 0 | 108.1 | F577 | E575-F577 PolarHBondContact O-N 3.46Š| ||
| 576 | E | 45.1 | Very low | 54.3 | Low | 184 Ų | 184 | 130.7 Ų | 130.7 | 86% | 0.86 | 66% | 0.657 | S | S | * | * | trans | -78.2 | 105.5 | 164.2 | -71.7 | -175.9 | 170.6 | 0 | 0 | 107.4 | T574 E578 | T574-E576 PolarHBondContact O-N 3.02Å; E576-E578 PolarHBondContact O-N 3.05Å | ||
| 577 | F | 48.2 | Very low | 52.8 | Low | 171 Ų | 171 | 131.5 Ų | 131.5 | 75% | 0.75 | 67% | 0.667 | S | S | * | * | trans | -65.6 | 118.5 | 171.4 | -78.6 | -89 | 0 | 0 | 0 | 109.5 | E575 D579 | E575-F577 PolarHBondContact O-N 3.46Å; F577-D579 PolarHBondContact O-N 3.17Å | ||
| 578 | E | 47.5 | Very low | 51.7 | Low | 198 Ų | 198 | 126.6 Ų | 126.6 | 93% | 0.925 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -66.7 | 73.1 | 160.6 | -85.9 | -167.6 | 143.5 | 0 | 0 | 109.2 | E576 | E576-E578 PolarHBondContact O-N 3.05Š|
| 579 | D | 45.6 | Very low | 51 | Low | 146 Ų | 146 | 128.5 Ų | 128.5 | 78% | 0.781 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -169 | 114.4 | 154.6 | -103.9 | -25.5 | 0 | 0 | 0 | 108.5 | F577 R581 | F577-D579 PolarHBondContact O-N 3.17Å; D579-R581 VanDerWaalsContact C-N 3.27Å; D579-R581 PolarHBondContact O-N 3.05Å |
| 580 | G | 42.5 | Very low | 51.2 | Low | 89 Ų | 89 | 125.6 Ų | 125.6 | 92% | 0.918 | 64% | 0.643 | S | S | * | * | trans | -66.6 | 65 | -166.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 581 | R | 41.3 | Very low | 51.4 | Low | 225 Ų | 225 | 120.4 Ų | 120.4 | 85% | 0.849 | 63% | 0.625 | S | S | * | * | trans | -121.1 | 98.9 | 167.1 | -72.9 | -174.1 | 179.2 | 174.1 | 2.4 | 110.2 | D579 T583 | D579-R581 VanDerWaalsContact C-N 3.27Å; D579-R581 PolarHBondContact O-N 3.05Å; R581-T583 PolarHBondContact O-N 3.29Å | ||
| 582 | E | 35 | Very low | 51.7 | Low | 205 Ų | 205 | 120.2 Ų | 120.2 | 96% | 0.958 | 62% | 0.624 | S | S | * | * | trans | -52.6 | 101.3 | 165.3 | -69.7 | 179.7 | 156.3 | 0 | 0 | 109.9 | ||||
| 583 | T | 41.7 | Very low | 52.3 | Low | 129 Ų | 129 | 118.1 Ų | 118.1 | 79% | 0.791 | 63% | 0.625 | S | S | * | * | trans | -143.2 | 124.1 | 158.5 | -26.5 | 0 | 0 | 0 | 0 | 108.9 | R581 S585 | R581-T583 PolarHBondContact O-N 3.29Å; T583-S585 PolarHBondContact O-N 3.36Å | ||
| 584 | Q | 32.9 | Very low | 53.2 | Low | 201 Ų | 201 | 118.1 Ų | 118.1 | 94% | 0.939 | 63% | 0.628 | S | S | * | * | trans | -65.9 | 111.7 | -167.8 | -66.5 | 159.9 | -9 | 0 | 0 | 112.9 | ||||
| 585 | S | 38.6 | Very low | 54.6 | Low | 97 Ų | 97 | 122.3 Ų | 122.3 | 68% | 0.678 | 64% | 0.639 | S | S | * | * | trans | -164.4 | 90.4 | 144.4 | 53.8 | 0 | 0 | 0 | 0 | 108.5 | T583 E587 | T583-S585 PolarHBondContact O-N 3.36Å; S585-E587 PolarHBondContact O-N 2.85Å | ||
| 586 | S | 38.9 | Very low | 56.1 | Low | 112 Ų | 112 | 120.5 Ų | 120.5 | 78% | 0.783 | 63% | 0.633 | S | S | * | * | trans | -70.1 | 69.9 | 168.5 | 56.7 | 0 | 0 | 0 | 0 | 109.2 | S588 | S586-S588 PolarHBondContact O-N 2.82Š| ||
| 587 | E | 49.4 | Very low | 58 | Low | 153 Ų | 153 | 111.8 Ų | 111.8 | 72% | 0.715 | 59% | 0.593 | S | S | * | * | trans | -80 | 101.1 | 172.1 | -132.8 | 170.3 | -171 | 0 | 0 | 106.2 | S585 T589 | S585-E587 PolarHBondContact O-N 2.85Å; E587-T589 PolarHBondContact O-N 2.84Å | ||
| 588 | S | 54.4 | Low | 60 | Low | 59 Ų | 59 | 106.8 Ų | 106.8 | 41% | 0.413 | 57% | 0.574 | S | S | . | * | trans | -61.5 | 111 | 171.6 | 55.2 | 0 | 0 | 0 | 0 | 107.5 | W572 S586 | W572-S588 VanDerWaalsContact CE3-O 3.31Å; W572-S588 VanDerWaalsContact CE3-OG 3.24Å; W572-S588 VanDerWaalsContact CZ3-O 3.23Å; W572-S588 WeakPolarHBondContact CZ3-O 3.44Å; S586-S588 PolarHBondContact O-N 2.82Å | ||
| 589 | T | 62.8 | Low | 61.9 | Low | 56 Ų | 56 | 105 Ų | 105 | 34% | 0.344 | 56% | 0.558 | S | S | . | * | B | Isolated β-bridge | trans | -91 | 139.1 | -177.5 | 53 | 0 | 0 | 0 | 0 | 109.2 | H573 E587 | H573-T589 PolarHBondContact N-O 2.94Å; H573-T589 PolarHBondContact O-N 3.02Å; E587-T589 PolarHBondContact O-N 2.84Å |
| 590 | N | 71.5 | Confident | 63.9 | Low | 36 Ų | 36 | 98.6 Ų | 98.6 | 19% | 0.193 | 52% | 0.523 | C | S | . | . | trans | -117.6 | 116.5 | 167.8 | -172.4 | -22.8 | 0 | 0 | 0 | 106.9 | S565 W572 F592 | S565-N590 PolarHBondContact O-ND2 2.81Å; W572-N590 HydrophobicContact CD2-CB 4.34Å; W572-N590 HydrophobicContact CE3-CB 4.34Å; W572-N590 HydrophobicContact CH2-CB 4.24Å; W572-N590 HydrophobicContact CZ2-CB 4.16Å; W572-N590 HydrophobicContact CZ3-CB 4.34Å; N590-F592 PolarHBondContact O-N 3.45Å; N590-F592 PolarHBondContact OD1-N 3.05Å | ||
| 591 | E | 73.8 | Confident | 66.1 | Low | 81 Ų | 81 | 94.3 Ų | 94.3 | 38% | 0.379 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -68.7 | -22.8 | -179.5 | -65.9 | 173.9 | 173 | 0 | 0 | 111.9 | G593 N596 I612 | E591-G593 PolarHBondContact O-N 3.35Å; E591-G593 VanDerWaalsContact O-N 3.07Å; E591-N596 VanDerWaalsContact O-CB 3.24Å; E591-N596 WeakPolarHBondContact O-CB 3.43Å; E591-N596 PolarHBondContact O-ND2 2.98Å; E591-I612 HydrophobicContact CB-CG2 4.03Å; E591-I612 WeakPolarHBondContact OE2-CG2 3.3Å |
| 592 | F | 74.2 | Confident | 68.3 | Low | 10 Ų | 10 | 86.1 Ų | 86.1 | 4% | 0.044 | 45% | 0.453 | C | S | . | . | trans | -85.9 | 73.2 | -179.8 | -75.5 | -83.3 | 0 | 0 | 0 | 112.6 | S565 N590 F600 I612 P614 | S565-F592 WeakPolarHBondContact OG-CB 3.38Å; N590-F592 PolarHBondContact O-N 3.45Å; N590-F592 PolarHBondContact OD1-N 3.05Å; F592-F600 HydrophobicContact CE1-CB 3.92Å; F592-F600 HydrophobicContact CE1-CD1 4.31Å; F592-F600 HydrophobicContact CE1-CD2 4.02Å; F592-F600 AromaticContact CE1-CG 3.81Å; F592-F600 HydrophobicContact CE1-CG 3.81Å; F592-F600 HydrophobicContact CZ-CD2 4.19Å; F592-F600 HydrophobicContact CZ-CG 4.42Å; F592-I612 HydrophobicContact CD1-CD1 4.4Å; F592-I612 HydrophobicContact CE1-CD1 4.05Å; F592-I612 HydrophobicContact CZ-CB 4.31Å; F592-I612 HydrophobicContact CZ-CD1 4.35Å; F592-I612 HydrophobicContact CZ-CG1 4.46Å; F592-P614 HydrophobicContact CE2-CB 4.37Å; F592-P614 HydrophobicContact CZ-CB 4.3Å | ||
| 593 | G | 80.5 | Confident | 70.9 | Confident | 29 Ų | 29 | 76.8 Ų | 76.8 | 30% | 0.299 | 41% | 0.411 | S | S | . | . | trans | -68.8 | 173.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 113 | E591 F595 N596 S597 | E591-G593 PolarHBondContact O-N 3.35Å; E591-G593 VanDerWaalsContact O-N 3.07Å; G593-F595 VanDerWaalsContact C-N 3.34Å; G593-F595 PolarHBondContact O-N 3.29Å; G593-N596 PolarHBondContact O-N 3.1Å; G593-S597 WeakPolarHBondContact O-CB 3.43Å; G593-S597 PolarHBondContact O-N 3.34Å; G593-S597 PolarHBondContact O-OG 2.65Å | ||
| 594 | I | 83 | Confident | 73 | Confident | 107 Ų | 107 | 71.3 Ų | 71.3 | 55% | 0.549 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.4 | -49.1 | 176.9 | -62.8 | 169.6 | 0 | 0 | 0 | 110.5 | F562 S597 L598 | F562-I594 HydrophobicContact CD1-CG1 4.3Å; F562-I594 HydrophobicContact CD2-CB 4.46Å; F562-I594 HydrophobicContact CD2-CG1 3.76Å; F562-I594 HydrophobicContact CE1-CG1 4.02Å; F562-I594 HydrophobicContact CE2-CB 4.49Å; F562-I594 HydrophobicContact CE2-CD1 4.42Å; F562-I594 HydrophobicContact CE2-CG1 3.44Å; F562-I594 VanDerWaalsContact CE2-CG1 3.44Å; F562-I594 HydrophobicContact CG-CG1 4.17Å; F562-I594 HydrophobicContact CZ-CD1 4.13Å; F562-I594 HydrophobicContact CZ-CG1 3.58Å; I594-S597 PolarHBondContact O-N 3.47Å; I594-L598 WeakPolarHBondContact O-CB 3.29Å; I594-L598 PolarHBondContact O-N 2.87Å |
| 595 | F | 85 | Confident | 75.7 | Confident | 169 Ų | 169 | 64.1 Ų | 64.1 | 74% | 0.741 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.6 | -38.8 | 179.4 | -67.1 | -72.3 | 0 | 0 | 0 | 112.3 | G593 S597 L598 W599 | G593-F595 VanDerWaalsContact C-N 3.34Å; G593-F595 PolarHBondContact O-N 3.29Å; F595-S597 VanDerWaalsContact C-N 3.35Å; F595-L598 PolarHBondContact O-N 2.99Å; F595-W599 VanDerWaalsContact O-CB 3.26Å; F595-W599 WeakPolarHBondContact O-CB 3.5Å; F595-W599 PolarHBondContact O-N 2.95Å |
| 596 | N | 85.9 | Confident | 77.9 | Confident | 74 Ų | 74 | 64.5 Ų | 64.5 | 40% | 0.396 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.5 | -34.4 | 178.6 | -68.7 | -5.9 | 0 | 0 | 0 | 111.7 | E591 G593 W599 F600 I612 | E591-N596 VanDerWaalsContact O-CB 3.24Å; E591-N596 WeakPolarHBondContact O-CB 3.43Å; E591-N596 PolarHBondContact O-ND2 2.98Å; G593-N596 PolarHBondContact O-N 3.1Å; N596-W599 PolarHBondContact O-N 3.1Å; N596-F600 VanDerWaalsContact O-CB 3.28Å; N596-F600 WeakPolarHBondContact O-CB 3.37Å; N596-F600 PolarHBondContact O-N 3.28Å; N596-I612 HydrophobicContact CB-CD1 3.85Å |
| 597 | S | 85.7 | Confident | 80 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 172.9 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | G593 I594 F595 S601 | G593-S597 WeakPolarHBondContact O-CB 3.43Å; G593-S597 PolarHBondContact O-N 3.34Å; G593-S597 PolarHBondContact O-OG 2.65Å; I594-S597 PolarHBondContact O-N 3.47Å; F595-S597 VanDerWaalsContact C-N 3.35Å; S597-S601 PolarHBondContact O-N 3.28Å; S597-S601 PolarHBondContact O-OG 3.1Å |
| 598 | L | 89.4 | Confident | 81.5 | Confident | 67 Ų | 67 | 64.2 Ų | 64.2 | 35% | 0.351 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.9 | -37.1 | 174.9 | -159.8 | 114.4 | 0 | 0 | 0 | 111.8 | Y554 I594 F595 S601 L602 | Y554-L598 HydrophobicContact CE1-CD1 4.27Å; Y554-L598 HydrophobicContact CE1-CG 4.23Å; Y554-L598 WeakPolarHBondContact OH-CD2 3.38Å; Y554-L598 WeakPolarHBondContact OH-CG 3.42Å; Y554-L598 PolarHBondContact OH-O 3.19Å; I594-L598 WeakPolarHBondContact O-CB 3.29Å; I594-L598 PolarHBondContact O-N 2.87Å; F595-L598 PolarHBondContact O-N 2.99Å; L598-S601 PolarHBondContact O-OG 3.47Å; L598-L602 VanDerWaalsContact O-CB 3.31Å; L598-L602 WeakPolarHBondContact O-CB 3.29Å; L598-L602 PolarHBondContact O-N 3.25Å; L598-L602 VanDerWaalsContact O-N 3.08Å |
| 599 | W | 88.1 | Confident | 82.5 | Confident | 160 Ų | 160 | 65.2 Ų | 65.2 | 61% | 0.606 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -69.8 | -41.3 | 176 | -172.1 | -111.5 | 0 | 0 | 0 | 111.9 | F595 N596 L602 G603 | F595-W599 VanDerWaalsContact O-CB 3.26Å; F595-W599 WeakPolarHBondContact O-CB 3.5Å; F595-W599 PolarHBondContact O-N 2.95Å; N596-W599 PolarHBondContact O-N 3.1Å; W599-L602 HydrophobicContact CE3-CD2 4.3Å; W599-L602 HydrophobicContact CZ3-CD2 4.09Å; W599-L602 PolarHBondContact O-N 3.15Å; W599-G603 PolarHBondContact O-N 2.83Å |
| 600 | F | 87.3 | Confident | 83.1 | Confident | 11 Ų | 11 | 64.3 Ų | 64.3 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 175.6 | 176 | -91.9 | 0 | 0 | 0 | 111.5 | L561 F592 N596 L602 G603 A604 C610 I612 P614 | L561-F600 HydrophobicContact CD1-CD1 3.56Å; L561-F600 HydrophobicContact CD1-CE1 3.86Å; F592-F600 HydrophobicContact CE1-CB 3.92Å; F592-F600 HydrophobicContact CE1-CD1 4.31Å; F592-F600 HydrophobicContact CE1-CD2 4.02Å; F592-F600 AromaticContact CE1-CG 3.81Å; F592-F600 HydrophobicContact CE1-CG 3.81Å; F592-F600 HydrophobicContact CZ-CD2 4.19Å; F592-F600 HydrophobicContact CZ-CG 4.42Å; N596-F600 VanDerWaalsContact O-CB 3.28Å; N596-F600 WeakPolarHBondContact O-CB 3.37Å; N596-F600 PolarHBondContact O-N 3.28Å; F600-L602 VanDerWaalsContact C-N 3.3Å; F600-L602 PolarHBondContact O-N 3.31Å; F600-G603 PolarHBondContact O-N 3.27Å; F600-A604 VanDerWaalsContact O-CB 3.26Å; F600-A604 WeakPolarHBondContact O-CB 3.49Å; F600-A604 PolarHBondContact O-N 3.32Å; F600-C610 HydrophobicContact CD2-CB 3.97Å; F600-I612 HydrophobicContact CB-CD1 4.36Å; F600-I612 HydrophobicContact CD2-CG1 4.46Å; F600-I612 VanDerWaalsContact CD2-O 3.31Å; F600-I612 WeakPolarHBondContact CD2-O 3.43Å; F600-I612 WeakPolarHBondContact CE2-O 3.49Å; F600-P614 HydrophobicContact CZ-CG 4.14Å |
| 601 | S | 87.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.6 | -34.9 | 178.3 | 61.2 | 0 | 0 | 0 | 0 | 111.9 | Y554 S558 S597 L598 F605 W626 | Y554-S601 WeakPolarHBondContact CE2-OG 3.5Å; S558-S601 WeakPolarHBondContact OG-CB 3.39Å; S558-S601 PolarHBondContact OG-OG 3.48Å; S597-S601 PolarHBondContact O-N 3.28Å; S597-S601 PolarHBondContact O-OG 3.1Å; L598-S601 PolarHBondContact O-OG 3.47Å; S601-F605 WeakPolarHBondContact O-CB 3.41Å; S601-F605 PolarHBondContact O-N 3.3Å; S601-W626 PolarHBondContact O-NE1 3.37Å |
| 602 | L | 89.4 | Confident | 83.5 | Confident | 53 Ų | 53 | 68.3 Ų | 68.3 | 28% | 0.277 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.7 | -44.4 | 175.9 | -171.7 | 128 | 0 | 0 | 0 | 112.6 | Y554 L598 W599 F600 F605 M606 | Y554-L602 HydrophobicContact CE2-CB 3.85Å; Y554-L602 HydrophobicContact CE2-CD1 4.37Å; Y554-L602 WeakPolarHBondContact OH-CD1 3.27Å; L598-L602 VanDerWaalsContact O-CB 3.31Å; L598-L602 WeakPolarHBondContact O-CB 3.29Å; L598-L602 PolarHBondContact O-N 3.25Å; L598-L602 VanDerWaalsContact O-N 3.08Å; W599-L602 HydrophobicContact CE3-CD2 4.3Å; W599-L602 HydrophobicContact CZ3-CD2 4.09Å; W599-L602 PolarHBondContact O-N 3.15Å; F600-L602 VanDerWaalsContact C-N 3.3Å; F600-L602 PolarHBondContact O-N 3.31Å; L602-F605 WeakPolarHBondContact O-CA 3.21Å; L602-F605 WeakPolarHBondContact O-CB 2.87Å; L602-F605 PolarHBondContact O-N 3.29Å; L602-F605 VanDerWaalsContact O-N 3.11Å; L602-M606 HydrophobicContact CD2-SD 3.81Å; L602-M606 HydrophobicContact CG-SD 4.42Å; L602-M606 PolarHBondContact O-N 3.25Å |
| 603 | G | 88.3 | Confident | 83.8 | Confident | 9 Ų | 9 | 71.4 Ų | 71.4 | 9% | 0.093 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | W599 F600 F605 M606 Q607 Q608 | W599-G603 PolarHBondContact O-N 2.83Å; F600-G603 PolarHBondContact O-N 3.27Å; G603-F605 PolarHBondContact O-N 3.25Å; G603-M606 PolarHBondContact O-N 3.12Å; G603-M606 VanDerWaalsContact O-N 3.09Å; G603-Q607 PolarHBondContact O-N 3.02Å; G603-Q608 CarbonylContact C-O 3.03Å; G603-Q608 WeakPolarHBondContact CA-O 3.37Å; G603-Q608 PolarHBondContact O-N 3.25Å |
| 604 | A | 86.4 | Confident | 83.9 | Confident | 13 Ų | 13 | 70.5 Ų | 70.5 | 11% | 0.107 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -56.3 | -39.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F600 | F600-A604 VanDerWaalsContact O-CB 3.26Å; F600-A604 WeakPolarHBondContact O-CB 3.49Å; F600-A604 PolarHBondContact O-N 3.32Å |
| 605 | F | 89 | Confident | 83.7 | Confident | 51 Ų | 51 | 71 Ų | 71 | 22% | 0.224 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67 | -41.9 | 175.7 | -172.9 | -96 | 0 | 0 | 0 | 112.5 | I550 S601 L602 G603 Q607 W626 T630 I634 | I550-F605 HydrophobicContact CG2-CE2 3.83Å; I550-F605 HydrophobicContact CG2-CZ 3.95Å; S601-F605 WeakPolarHBondContact O-CB 3.41Å; S601-F605 PolarHBondContact O-N 3.3Å; L602-F605 WeakPolarHBondContact O-CA 3.21Å; L602-F605 WeakPolarHBondContact O-CB 2.87Å; L602-F605 PolarHBondContact O-N 3.29Å; L602-F605 VanDerWaalsContact O-N 3.11Å; G603-F605 PolarHBondContact O-N 3.25Å; F605-Q607 PolarHBondContact O-N 3.15Å; F605-W626 HydrophobicContact CB-CZ2 4.17Å; F605-W626 HydrophobicContact CD2-CH2 4.37Å; F605-W626 AromaticContact CD2-CZ2 3.96Å; F605-W626 HydrophobicContact CD2-CZ2 3.96Å; F605-W626 HydrophobicContact CG-CZ2 4.48Å; F605-T630 HydrophobicContact CD2-CG2 4.12Å; F605-T630 HydrophobicContact CG-CG2 4.49Å; F605-T630 VanDerWaalsContact O-CG2 3.29Å; F605-T630 WeakPolarHBondContact O-CG2 3.27Å; F605-I634 WeakPolarHBondContact O-CD1 3.27Å |
| 606 | M | 85.5 | Confident | 83.6 | Confident | 105 Ų | 105 | 63.1 Ų | 63.1 | 52% | 0.517 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 7 | -178.2 | -68.3 | -173.3 | 66 | 0 | 0 | 114.4 | L602 G603 Q608 | L602-M606 HydrophobicContact CD2-SD 3.81Å; L602-M606 HydrophobicContact CG-SD 4.42Å; L602-M606 PolarHBondContact O-N 3.25Å; G603-M606 PolarHBondContact O-N 3.12Å; G603-M606 VanDerWaalsContact O-N 3.09Å; M606-Q608 HydrophobicContact CB-CG 4.43Å; M606-Q608 PolarHBondContact O-N 2.92Å |
| 607 | Q | 83.1 | Confident | 83.6 | Confident | 136 Ų | 136 | 65.9 Ų | 65.9 | 64% | 0.636 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 24 | -173.2 | -54.7 | 178.3 | -6.5 | 0 | 0 | 113.1 | G603 F605 I634 | G603-Q607 PolarHBondContact O-N 3.02Å; F605-Q607 PolarHBondContact O-N 3.15Å; Q607-I634 HydrophobicContact CG-CD1 3.93Å |
| 608 | Q | 80.4 | Confident | 83.8 | Confident | 123 Ų | 123 | 68.9 Ų | 68.9 | 58% | 0.575 | 37% | 0.37 | S | S | * | . | trans | -106.2 | 119.8 | 175.3 | -66.7 | -177.8 | 0.3 | 0 | 0 | 107.7 | G603 M606 | G603-Q608 CarbonylContact C-O 3.03Å; G603-Q608 WeakPolarHBondContact CA-O 3.37Å; G603-Q608 PolarHBondContact O-N 3.25Å; M606-Q608 HydrophobicContact CB-CG 4.43Å; M606-Q608 PolarHBondContact O-N 2.92Å | ||
| 609 | G | 74.6 | Confident | 83.6 | Confident | 80 Ų | 80 | 65.7 Ų | 65.7 | 83% | 0.825 | 35% | 0.353 | S | S | * | . | trans | -55.3 | 147.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 610 | C | 76 | Confident | 83.6 | Confident | 36 Ų | 36 | 65.2 Ų | 65.2 | 24% | 0.243 | 35% | 0.351 | C | S | . | . | trans | -104.2 | 146.5 | 170.8 | -158.1 | 0 | 0 | 0 | 0 | 108.4 | F600 I612 | F600-C610 HydrophobicContact CD2-CB 3.97Å; C610-I612 HydrophobicContact CB-CG1 4.27Å; C610-I612 PolarHBondContact O-N 3.2Å; C610-I612 WeakPolarHBondContact SG-CG1 3.35Å | ||
| 611 | D | 76 | Confident | 83.8 | Confident | 175 Ų | 175 | 69.5 Ų | 69.5 | 94% | 0.936 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -64.4 | -26.8 | 178 | -62.3 | -30.4 | 0 | 0 | 0 | 111.7 | ||
| 612 | I | 77.9 | Confident | 84 | Confident | 27 Ų | 27 | 71 Ų | 71 | 14% | 0.138 | 38% | 0.382 | C | S | . | . | trans | -92.6 | 135.3 | 178 | 50.7 | 169.4 | 0 | 0 | 0 | 111.2 | E591 F592 N596 F600 C610 | E591-I612 HydrophobicContact CB-CG2 4.03Å; E591-I612 WeakPolarHBondContact OE2-CG2 3.3Å; F592-I612 HydrophobicContact CD1-CD1 4.4Å; F592-I612 HydrophobicContact CE1-CD1 4.05Å; F592-I612 HydrophobicContact CZ-CB 4.31Å; F592-I612 HydrophobicContact CZ-CD1 4.35Å; F592-I612 HydrophobicContact CZ-CG1 4.46Å; N596-I612 HydrophobicContact CB-CD1 3.85Å; F600-I612 HydrophobicContact CB-CD1 4.36Å; F600-I612 HydrophobicContact CD2-CG1 4.46Å; F600-I612 VanDerWaalsContact CD2-O 3.31Å; F600-I612 WeakPolarHBondContact CD2-O 3.43Å; F600-I612 WeakPolarHBondContact CE2-O 3.49Å; C610-I612 HydrophobicContact CB-CG1 4.27Å; C610-I612 PolarHBondContact O-N 3.2Å; C610-I612 WeakPolarHBondContact SG-CG1 3.35Å | ||
| 613 | S | 81.1 | Confident | 83.9 | Confident | 74 Ų | 74 | 68.6 Ų | 68.6 | 52% | 0.517 | 37% | 0.37 | S | S | . | . | trans | -131.7 | 138.7 | 177.1 | 64 | 0 | 0 | 0 | 0 | 111.3 | R615 | S613-R615 PolarHBondContact O-N 3.38Š| ||
| 614 | P | 82.1 | Confident | 83.9 | Confident | 10 Ų | 10 | 69.8 Ų | 69.8 | 7% | 0.065 | 38% | 0.382 | C | S | . | . | trans | -64.9 | 125.3 | -179.6 | 24.6 | -32.1 | 0 | 0 | 0 | 110.4 | F592 F600 R620 | F592-P614 HydrophobicContact CE2-CB 4.37Å; F592-P614 HydrophobicContact CZ-CB 4.3Å; F600-P614 HydrophobicContact CZ-CG 4.14Å; P614-R620 HydrophobicContact CB-CG 4.49Å; P614-R620 HydrophobicContact CG-CG 4.24Å; P614-R620 WeakPolarHBondContact O-CG 3.18Å; P614-R620 PolarHBondContact O-NE 3.49Å | ||
| 615 | R | 78.2 | Confident | 84.2 | Confident | 119 Ų | 119 | 73.8 Ų | 73.8 | 45% | 0.449 | 41% | 0.405 | S | S | . | . | trans | -84.8 | -31.3 | 178.1 | -63.8 | -174.1 | -176.8 | -169.3 | 3.6 | 112.1 | E571 H573 S613 | E571-R615 HydrophobicContact CG-CB 4.17Å; H573-R615 PolarHBondContact CD2-NH1 3.45Å; H573-R615 VanDerWaalsContact CG-NH1 3.34Å; S613-R615 PolarHBondContact O-N 3.38Å | ||
| 616 | S | 84.4 | Confident | 84.4 | Confident | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.014 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -70.4 | 146.1 | -179.9 | 71 | 0 | 0 | 0 | 0 | 111.8 | E571 S618 G619 R620 | E571-S616 VanDerWaalsContact OE1-CB 3.24Å; E571-S616 WeakPolarHBondContact OE1-CB 3.32Å; E571-S616 PolarHBondContact OE1-N 3.06Å; E571-S616 PolarHBondContact OE1-OG 3.32Å; S616-S618 VanDerWaalsContact C-N 3.28Å; S616-S618 PolarHBondContact O-N 2.83Å; S616-G619 PolarHBondContact O-N 3.48Å; S616-G619 WeakPolarHBondContact OG-CA 3.3Å; S616-G619 PolarHBondContact OG-N 3.34Å; S616-R620 VanDerWaalsContact O-CG 3.32Å; S616-R620 WeakPolarHBondContact O-CG 3.41Å; S616-R620 PolarHBondContact O-N 3.43Å |
| 617 | L | 85.9 | Confident | 84.7 | Confident | 132 Ų | 132 | 74 Ų | 74 | 69% | 0.691 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58 | -43.8 | 173.6 | -178.6 | 63.9 | 0 | 0 | 0 | 111.1 | G619 R620 I621 | L617-G619 PolarHBondContact O-N 2.93Å; L617-R620 PolarHBondContact O-N 3.17Å; L617-I621 HydrophobicContact CG-CD1 4.24Å; L617-I621 WeakPolarHBondContact O-CG1 3.38Å; L617-I621 PolarHBondContact O-N 3.24Å |
| 618 | S | 87.9 | Confident | 85.1 | Confident | 64 Ų | 64 | 74.2 Ų | 74.2 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.6 | -46 | 177.6 | -55.2 | 0 | 0 | 0 | 0 | 112 | V564 S616 I621 V622 | V564-S618 VanDerWaalsContact CG1-CB 3.47Å; S616-S618 VanDerWaalsContact C-N 3.28Å; S616-S618 PolarHBondContact O-N 2.83Å; S618-I621 PolarHBondContact O-N 3Å; S618-V622 WeakPolarHBondContact O-CG2 3.47Å; S618-V622 PolarHBondContact O-N 3.41Å; S618-V622 VanDerWaalsContact O-N 3.17Å |
| 619 | G | 86.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S616 L617 I621 V622 G623 | S616-G619 PolarHBondContact O-N 3.48Å; S616-G619 WeakPolarHBondContact OG-CA 3.3Å; S616-G619 PolarHBondContact OG-N 3.34Å; L617-G619 PolarHBondContact O-N 2.93Å; G619-I621 PolarHBondContact O-N 3.11Å; G619-V622 PolarHBondContact O-N 3.46Å; G619-G623 PolarHBondContact O-N 3.48Å |
| 620 | R | 88.6 | Confident | 86.5 | Confident | 150 Ų | 150 | 68 Ų | 68 | 57% | 0.566 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.2 | -37.1 | 174.5 | -72.3 | 177.6 | -178.5 | -172.9 | 1.4 | 113 | P614 S616 L617 G624 | P614-R620 HydrophobicContact CB-CG 4.49Å; P614-R620 HydrophobicContact CG-CG 4.24Å; P614-R620 WeakPolarHBondContact O-CG 3.18Å; P614-R620 PolarHBondContact O-NE 3.49Å; S616-R620 VanDerWaalsContact O-CG 3.32Å; S616-R620 WeakPolarHBondContact O-CG 3.41Å; S616-R620 PolarHBondContact O-N 3.43Å; L617-R620 PolarHBondContact O-N 3.17Å; R620-G624 PolarHBondContact O-N 2.99Å |
| 621 | I | 91.3 | Very high | 87.2 | Confident | 101 Ų | 101 | 71 Ų | 71 | 52% | 0.518 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.8 | -46.6 | 175.1 | -68.2 | 167.9 | 0 | 0 | 0 | 110 | L617 S618 G619 G623 G624 V625 | L617-I621 HydrophobicContact CG-CD1 4.24Å; L617-I621 WeakPolarHBondContact O-CG1 3.38Å; L617-I621 PolarHBondContact O-N 3.24Å; S618-I621 PolarHBondContact O-N 3Å; G619-I621 PolarHBondContact O-N 3.11Å; I621-G623 PolarHBondContact O-N 3.28Å; I621-G624 PolarHBondContact O-N 2.88Å; I621-V625 HydrophobicContact CG2-CG2 4.47Å; I621-V625 WeakPolarHBondContact O-CG2 3.4Å; I621-V625 PolarHBondContact O-N 2.98Å |
| 622 | V | 90.9 | Very high | 88.1 | Confident | 30 Ų | 30 | 66.3 Ų | 66.3 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 177.3 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | V557 V560 L561 S618 G619 V625 W626 | V557-V622 HydrophobicContact CG1-CG1 4.16Å; V560-V622 HydrophobicContact CG1-CG1 4.13Å; V560-V622 HydrophobicContact CG1-CG2 3.85Å; L561-V622 HydrophobicContact CD2-CB 3.97Å; L561-V622 HydrophobicContact CD2-CG1 3.81Å; L561-V622 HydrophobicContact CG-CB 4.44Å; L561-V622 HydrophobicContact CG-CG1 3.72Å; S618-V622 WeakPolarHBondContact O-CG2 3.47Å; S618-V622 PolarHBondContact O-N 3.41Å; S618-V622 VanDerWaalsContact O-N 3.17Å; G619-V622 PolarHBondContact O-N 3.46Å; V622-V625 PolarHBondContact O-N 2.99Å; V622-W626 WeakPolarHBondContact O-CB 3.21Å; V622-W626 PolarHBondContact O-N 3.48Å |
| 623 | G | 87.3 | Confident | 88.8 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | G619 I621 W626 W627 | G619-G623 PolarHBondContact O-N 3.48Å; I621-G623 PolarHBondContact O-N 3.28Å; G623-W626 PolarHBondContact O-N 2.91Å; G623-W627 PolarHBondContact O-N 2.83Å |
| 624 | G | 89.5 | Confident | 89.3 | Confident | 34 Ų | 34 | 64.8 Ų | 64.8 | 35% | 0.351 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R620 I621 W627 F628 | R620-G624 PolarHBondContact O-N 2.99Å; I621-G624 PolarHBondContact O-N 2.88Å; G624-W627 PolarHBondContact O-N 3.4Å; G624-F628 PolarHBondContact O-N 3.4Å |
| 625 | V | 93.2 | Very high | 89.7 | Confident | 97 Ų | 97 | 67.2 Ų | 67.2 | 59% | 0.588 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66 | -40.7 | 173.5 | 174 | 0 | 0 | 0 | 0 | 110.7 | I621 V622 F628 F629 | I621-V625 HydrophobicContact CG2-CG2 4.47Å; I621-V625 WeakPolarHBondContact O-CG2 3.4Å; I621-V625 PolarHBondContact O-N 2.98Å; V622-V625 PolarHBondContact O-N 2.99Å; V625-F628 PolarHBondContact O-N 2.69Å; V625-F629 WeakPolarHBondContact O-CB 3.36Å; V625-F629 PolarHBondContact O-N 3.28Å |
| 626 | W | 92.7 | Very high | 90.5 | Very high | 6 Ų | 6 | 64 Ų | 64 | 2% | 0.023 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 175.5 | -177 | -118.6 | 0 | 0 | 0 | 112.2 | A553 Y554 V557 S601 F605 V622 G623 F628 F629 T630 | A553-W626 HydrophobicContact CB-CZ3 4.12Å; Y554-W626 HydrophobicContact CD2-CZ2 4.35Å; V557-W626 HydrophobicContact CB-CD2 4.37Å; V557-W626 HydrophobicContact CB-CE3 4.17Å; V557-W626 HydrophobicContact CB-CZ3 4.5Å; V557-W626 HydrophobicContact CG1-CB 4.09Å; V557-W626 HydrophobicContact CG1-CD2 3.97Å; V557-W626 HydrophobicContact CG1-CE3 4.22Å; V557-W626 HydrophobicContact CG1-CG 3.92Å; V557-W626 HydrophobicContact CG2-CD2 4.24Å; V557-W626 HydrophobicContact CG2-CE3 3.63Å; V557-W626 HydrophobicContact CG2-CZ3 4.01Å; S601-W626 PolarHBondContact O-NE1 3.37Å; F605-W626 HydrophobicContact CB-CZ2 4.17Å; F605-W626 HydrophobicContact CD2-CH2 4.37Å; F605-W626 AromaticContact CD2-CZ2 3.96Å; F605-W626 HydrophobicContact CD2-CZ2 3.96Å; F605-W626 HydrophobicContact CG-CZ2 4.48Å; V622-W626 WeakPolarHBondContact O-CB 3.21Å; V622-W626 PolarHBondContact O-N 3.48Å; G623-W626 PolarHBondContact O-N 2.91Å; W626-F628 PolarHBondContact O-N 2.79Å; W626-F629 HydrophobicContact CE3-CB 4.48Å; W626-F629 AromaticContact CE3-CD1 3.61Å; W626-F629 HydrophobicContact CE3-CD1 3.61Å; W626-F629 HydrophobicContact CE3-CE1 4.26Å; W626-F629 HydrophobicContact CE3-CG 4.35Å; W626-F629 HydrophobicContact CH2-CD1 4.06Å; W626-F629 AromaticContact CH2-CE1 3.97Å; W626-F629 HydrophobicContact CH2-CE1 3.97Å; W626-F629 AromaticContact CZ3-CD1 3.35Å; W626-F629 HydrophobicContact CZ3-CD1 3.35Å; W626-F629 AromaticContact CZ3-CE1 3.52Å; W626-F629 HydrophobicContact CZ3-CE1 3.52Å; W626-F629 HydrophobicContact CZ3-CG 4.37Å; W626-F629 WeakPolarHBondContact O-CB 3.48Å; W626-F629 PolarHBondContact O-N 2.84Å; W626-T630 PolarHBondContact O-N 2.88Å; W626-T630 PolarHBondContact O-OG1 3.42Å |
| 627 | W | 90.6 | Very high | 90.9 | Very high | 156 Ų | 156 | 66.2 Ų | 66.2 | 59% | 0.591 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60 | -44.3 | 173.6 | -76.2 | -13.6 | 0 | 0 | 0 | 112.7 | G623 G624 F629 T630 L631 | G623-W627 PolarHBondContact O-N 2.83Å; G624-W627 PolarHBondContact O-N 3.4Å; W627-F629 VanDerWaalsContact C-N 3.34Å; W627-T630 PolarHBondContact O-N 3.16Å; W627-L631 VanDerWaalsContact O-CB 3.28Å; W627-L631 WeakPolarHBondContact O-CB 3.49Å; W627-L631 PolarHBondContact O-N 3.5Å |
| 628 | F | 92.6 | Very high | 91.1 | Very high | 139 Ų | 139 | 63.4 Ų | 63.4 | 61% | 0.61 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.9 | -44.5 | 175.9 | -175.1 | -106.4 | 0 | 0 | 0 | 111.3 | G624 V625 W626 L631 I632 | G624-F628 PolarHBondContact O-N 3.4Å; V625-F628 PolarHBondContact O-N 2.69Å; W626-F628 PolarHBondContact O-N 2.79Å; F628-L631 PolarHBondContact O-N 2.76Å; F628-I632 HydrophobicContact CE1-CG1 4.23Å; F628-I632 HydrophobicContact CE2-CD1 4.37Å; F628-I632 HydrophobicContact CE2-CG1 4.34Å; F628-I632 HydrophobicContact CZ-CD1 4.25Å; F628-I632 HydrophobicContact CZ-CG1 4.1Å; F628-I632 WeakPolarHBondContact O-CG1 3.47Å; F628-I632 PolarHBondContact O-N 3.09Å |
| 629 | F | 92.6 | Very high | 91.3 | Very high | 69 Ų | 69 | 63.2 Ų | 63.2 | 30% | 0.303 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.4 | -51.8 | 176 | 173.9 | -98.8 | 0 | 0 | 0 | 112.1 | I550 A553 V625 W626 W627 L631 I632 I633 | I550-F629 HydrophobicContact CG1-CZ 4.41Å; A553-F629 HydrophobicContact CB-CZ 4.45Å; V625-F629 WeakPolarHBondContact O-CB 3.36Å; V625-F629 PolarHBondContact O-N 3.28Å; W626-F629 HydrophobicContact CE3-CB 4.48Å; W626-F629 AromaticContact CE3-CD1 3.61Å; W626-F629 HydrophobicContact CE3-CD1 3.61Å; W626-F629 HydrophobicContact CE3-CE1 4.26Å; W626-F629 HydrophobicContact CE3-CG 4.35Å; W626-F629 HydrophobicContact CH2-CD1 4.06Å; W626-F629 AromaticContact CH2-CE1 3.97Å; W626-F629 HydrophobicContact CH2-CE1 3.97Å; W626-F629 AromaticContact CZ3-CD1 3.35Å; W626-F629 HydrophobicContact CZ3-CD1 3.35Å; W626-F629 AromaticContact CZ3-CE1 3.52Å; W626-F629 HydrophobicContact CZ3-CE1 3.52Å; W626-F629 HydrophobicContact CZ3-CG 4.37Å; W626-F629 WeakPolarHBondContact O-CB 3.48Å; W626-F629 PolarHBondContact O-N 2.84Å; W627-F629 VanDerWaalsContact C-N 3.34Å; F629-L631 PolarHBondContact O-N 2.9Å; F629-I632 PolarHBondContact O-N 2.61Å; F629-I633 HydrophobicContact CD1-CG1 4.4Å; F629-I633 HydrophobicContact CD2-CG1 4.29Å; F629-I633 HydrophobicContact CE1-CG1 4.01Å; F629-I633 HydrophobicContact CE2-CD1 4.17Å; F629-I633 HydrophobicContact CE2-CG1 3.9Å; F629-I633 HydrophobicContact CZ-CD1 4.17Å; F629-I633 HydrophobicContact CZ-CG1 3.75Å; F629-I633 WeakPolarHBondContact O-CG1 3.29Å; F629-I633 PolarHBondContact O-N 3.15Å |
| 630 | T | 91.8 | Very high | 91.5 | Very high | 4 Ų | 4 | 67 Ų | 67 | 3% | 0.025 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60 | -44.1 | 179 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | F605 W626 W627 I632 I633 I634 | F605-T630 HydrophobicContact CD2-CG2 4.12Å; F605-T630 HydrophobicContact CG-CG2 4.49Å; F605-T630 VanDerWaalsContact O-CG2 3.29Å; F605-T630 WeakPolarHBondContact O-CG2 3.27Å; W626-T630 PolarHBondContact O-N 2.88Å; W626-T630 PolarHBondContact O-OG1 3.42Å; W627-T630 PolarHBondContact O-N 3.16Å; T630-I632 VanDerWaalsContact C-N 3.31Å; T630-I632 PolarHBondContact O-N 3.09Å; T630-I633 PolarHBondContact O-N 2.92Å; T630-I634 HydrophobicContact CG2-CD1 3.59Å; T630-I634 HydrophobicContact CG2-CG1 4.26Å; T630-I634 PolarHBondContact O-N 3Å |
| 631 | L | 91.3 | Very high | 91.3 | Very high | 99 Ų | 99 | 62.2 Ų | 62.2 | 52% | 0.518 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.6 | -45.8 | 179.8 | -176.6 | 153.2 | 0 | 0 | 0 | 111 | W627 F628 F629 S635 | W627-L631 VanDerWaalsContact O-CB 3.28Å; W627-L631 WeakPolarHBondContact O-CB 3.49Å; W627-L631 PolarHBondContact O-N 3.5Å; F628-L631 PolarHBondContact O-N 2.76Å; F629-L631 PolarHBondContact O-N 2.9Å; L631-S635 WeakPolarHBondContact O-CB 3.28Å; L631-S635 PolarHBondContact O-N 2.76Å; L631-S635 PolarHBondContact O-OG 2.82Å |
| 632 | I | 93.4 | Very high | 90.9 | Very high | 77 Ų | 77 | 60.1 Ų | 60.1 | 40% | 0.395 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.5 | -44.4 | 178.7 | -63.6 | -61.9 | 0 | 0 | 0 | 111.4 | F628 F629 T630 S635 S636 | F628-I632 HydrophobicContact CE1-CG1 4.23Å; F628-I632 HydrophobicContact CE2-CD1 4.37Å; F628-I632 HydrophobicContact CE2-CG1 4.34Å; F628-I632 HydrophobicContact CZ-CD1 4.25Å; F628-I632 HydrophobicContact CZ-CG1 4.1Å; F628-I632 WeakPolarHBondContact O-CG1 3.47Å; F628-I632 PolarHBondContact O-N 3.09Å; F629-I632 PolarHBondContact O-N 2.61Å; T630-I632 VanDerWaalsContact C-N 3.31Å; T630-I632 PolarHBondContact O-N 3.09Å; I632-S635 PolarHBondContact O-N 2.84Å; I632-S636 VanDerWaalsContact O-CB 3.32Å; I632-S636 WeakPolarHBondContact O-CB 3.36Å; I632-S636 PolarHBondContact O-N 3.27Å; I632-S636 PolarHBondContact O-OG 3.48Å |
| 633 | I | 92.5 | Very high | 90.5 | Very high | 29 Ų | 29 | 61.1 Ų | 61.1 | 15% | 0.149 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.5 | -48 | -178.6 | -69.9 | -66.3 | 0 | 0 | 0 | 111.5 | I550 F629 T630 S636 Y637 | I550-I633 HydrophobicContact CD1-CG2 3.82Å; F629-I633 HydrophobicContact CD1-CG1 4.4Å; F629-I633 HydrophobicContact CD2-CG1 4.29Å; F629-I633 HydrophobicContact CE1-CG1 4.01Å; F629-I633 HydrophobicContact CE2-CD1 4.17Å; F629-I633 HydrophobicContact CE2-CG1 3.9Å; F629-I633 HydrophobicContact CZ-CD1 4.17Å; F629-I633 HydrophobicContact CZ-CG1 3.75Å; F629-I633 WeakPolarHBondContact O-CG1 3.29Å; F629-I633 PolarHBondContact O-N 3.15Å; T630-I633 PolarHBondContact O-N 2.92Å; I633-S636 PolarHBondContact O-N 2.89Å; I633-Y637 WeakPolarHBondContact O-CB 3.46Å; I633-Y637 PolarHBondContact O-N 3.18Å |
| 634 | I | 91.5 | Very high | 90.1 | Very high | 39 Ų | 39 | 65.6 Ų | 65.6 | 20% | 0.2 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.4 | -38.5 | -178.9 | -64.8 | 175.2 | 0 | 0 | 0 | 111.2 | F605 Q607 T630 S636 Y637 T638 | F605-I634 WeakPolarHBondContact O-CD1 3.27Å; Q607-I634 HydrophobicContact CG-CD1 3.93Å; T630-I634 HydrophobicContact CG2-CD1 3.59Å; T630-I634 HydrophobicContact CG2-CG1 4.26Å; T630-I634 PolarHBondContact O-N 3Å; I634-S636 VanDerWaalsContact C-N 3.3Å; I634-S636 PolarHBondContact O-N 2.91Å; I634-Y637 PolarHBondContact O-N 3.4Å; I634-T638 HydrophobicContact CG2-CG2 4.35Å; I634-T638 WeakPolarHBondContact O-CG2 3.24Å; I634-T638 PolarHBondContact O-N 3.23Å; I634-T638 PolarHBondContact O-OG1 3.45Å |
| 635 | S | 92 | Very high | 89.3 | Confident | 61 Ų | 61 | 67.5 Ų | 67.5 | 43% | 0.427 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 174.5 | -58 | 0 | 0 | 0 | 0 | 111.6 | L631 I632 T638 A639 | L631-S635 WeakPolarHBondContact O-CB 3.28Å; L631-S635 PolarHBondContact O-N 2.76Å; L631-S635 PolarHBondContact O-OG 2.82Å; I632-S635 PolarHBondContact O-N 2.84Å; S635-T638 WeakPolarHBondContact CA-OG1 3.28Å; S635-T638 PolarHBondContact O-OG1 3.05Å; S635-A639 WeakPolarHBondContact O-CB 3.46Å; S635-A639 PolarHBondContact O-N 2.81Å |
| 636 | S | 93.4 | Very high | 88.4 | Confident | 52 Ų | 52 | 68.1 Ų | 68.1 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.4 | -41.3 | 176.1 | -56.9 | 0 | 0 | 0 | 0 | 112 | I632 I633 I634 A639 N640 | I632-S636 VanDerWaalsContact O-CB 3.32Å; I632-S636 WeakPolarHBondContact O-CB 3.36Å; I632-S636 PolarHBondContact O-N 3.27Å; I632-S636 PolarHBondContact O-OG 3.48Å; I633-S636 PolarHBondContact O-N 2.89Å; I634-S636 VanDerWaalsContact C-N 3.3Å; I634-S636 PolarHBondContact O-N 2.91Å; S636-A639 PolarHBondContact O-N 3.07Å; S636-N640 WeakPolarHBondContact O-CB 3.48Å; S636-N640 PolarHBondContact O-N 3.4Å |
| 637 | Y | 92.9 | Very high | 87.2 | Confident | 48 Ų | 48 | 71.6 Ų | 71.6 | 19% | 0.188 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.6 | -48 | 174.8 | 174.9 | -100.4 | 0 | 0 | 0 | 111.6 | F538 P541 L542 I633 I634 A639 N640 L641 | F538-Y637 WeakPolarHBondContact O-CE2 3.43Å; F538-Y637 PolarHBondContact O-OH 2.92Å; P541-Y637 HydrophobicContact CB-CD2 4.02Å; P541-Y637 HydrophobicContact CB-CE2 3.95Å; P541-Y637 HydrophobicContact CG-CE2 4.01Å; L542-Y637 HydrophobicContact CD1-CD2 3.84Å; L542-Y637 HydrophobicContact CD1-CG 4.38Å; L542-Y637 HydrophobicContact CG-CD2 3.96Å; I633-Y637 WeakPolarHBondContact O-CB 3.46Å; I633-Y637 PolarHBondContact O-N 3.18Å; I634-Y637 PolarHBondContact O-N 3.4Å; Y637-A639 PolarHBondContact O-N 3.03Å; Y637-N640 PolarHBondContact O-N 3.22Å; Y637-L641 HydrophobicContact CE1-CD2 4.09Å; Y637-L641 VanDerWaalsContact O-CB 3.29Å; Y637-L641 WeakPolarHBondContact O-CB 3.38Å; Y637-L641 PolarHBondContact O-N 3.19Å |
| 638 | T | 91.2 | Very high | 86 | Confident | 74 Ų | 74 | 68.7 Ų | 68.7 | 45% | 0.454 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | 179.7 | 49.2 | 0 | 0 | 0 | 0 | 112.1 | I634 S635 A642 | I634-T638 HydrophobicContact CG2-CG2 4.35Å; I634-T638 WeakPolarHBondContact O-CG2 3.24Å; I634-T638 PolarHBondContact O-N 3.23Å; I634-T638 PolarHBondContact O-OG1 3.45Å; S635-T638 WeakPolarHBondContact CA-OG1 3.28Å; S635-T638 PolarHBondContact O-OG1 3.05Å; T638-A642 WeakPolarHBondContact O-CB 3.2Å; T638-A642 PolarHBondContact O-N 2.77Å; T638-A642 VanDerWaalsContact O-N 3.08Å |
| 639 | A | 91.4 | Very high | 84.7 | Confident | 60 Ų | 60 | 71.9 Ų | 71.9 | 50% | 0.496 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S635 S636 Y637 A642 A643 | S635-A639 WeakPolarHBondContact O-CB 3.46Å; S635-A639 PolarHBondContact O-N 2.81Å; S636-A639 PolarHBondContact O-N 3.07Å; Y637-A639 PolarHBondContact O-N 3.03Å; A639-A642 PolarHBondContact O-N 3.24Å; A639-A643 PolarHBondContact O-N 3.38Å; A639-A643 VanDerWaalsContact O-N 3.08Å |
| 640 | N | 90.7 | Very high | 83.5 | Confident | 79 Ų | 79 | 72.9 Ų | 72.9 | 42% | 0.422 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.1 | -38.4 | 179.4 | -75.6 | -6.9 | 0 | 0 | 0 | 112.4 | P541 S636 Y637 A642 A643 F644 | P541-N640 HydrophobicContact CB-CB 3.86Å; P541-N640 PolarHBondContact O-ND2 2.7Å; S636-N640 WeakPolarHBondContact O-CB 3.48Å; S636-N640 PolarHBondContact O-N 3.4Å; Y637-N640 PolarHBondContact O-N 3.22Å; N640-A642 VanDerWaalsContact C-N 3.33Å; N640-A643 PolarHBondContact O-N 3.17Å; N640-F644 WeakPolarHBondContact O-CB 3.35Å; N640-F644 PolarHBondContact O-N 3.28Å |
| 641 | L | 84.7 | Confident | 82.7 | Confident | 50 Ų | 50 | 78.3 Ų | 78.3 | 26% | 0.262 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 175.8 | -179.7 | 65.2 | 0 | 0 | 0 | 110.7 | P541 Y637 A643 F644 L645 | P541-L641 HydrophobicContact CB-CB 4.38Å; P541-L641 HydrophobicContact CG-CB 4.03Å; P541-L641 HydrophobicContact CG-CD1 3.79Å; Y637-L641 HydrophobicContact CE1-CD2 4.09Å; Y637-L641 VanDerWaalsContact O-CB 3.29Å; Y637-L641 WeakPolarHBondContact O-CB 3.38Å; Y637-L641 PolarHBondContact O-N 3.19Å; L641-A643 PolarHBondContact O-N 3.01Å; L641-F644 PolarHBondContact O-N 2.76Å; L641-L645 HydrophobicContact CD1-CD1 4.47Å; L641-L645 HydrophobicContact CG-CD1 4.29Å; L641-L645 VanDerWaalsContact O-CG 3.3Å; L641-L645 WeakPolarHBondContact O-CG 3.45Å; L641-L645 PolarHBondContact O-N 3.4Å |
| 642 | A | 82.6 | Confident | 82.1 | Confident | 56 Ų | 56 | 75 Ų | 75 | 46% | 0.463 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T638 A639 N640 L645 T646 | T638-A642 WeakPolarHBondContact O-CB 3.2Å; T638-A642 PolarHBondContact O-N 2.77Å; T638-A642 VanDerWaalsContact O-N 3.08Å; A639-A642 PolarHBondContact O-N 3.24Å; N640-A642 VanDerWaalsContact C-N 3.33Å; A642-L645 PolarHBondContact O-N 3.35Å; A642-T646 WeakPolarHBondContact O-CG2 3.36Å; A642-T646 PolarHBondContact O-N 3.01Å |
| 643 | A | 82.1 | Confident | 81.4 | Confident | 51 Ų | 51 | 75.7 Ų | 75.7 | 42% | 0.421 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A639 N640 L641 L645 T646 V647 | A639-A643 PolarHBondContact O-N 3.38Å; A639-A643 VanDerWaalsContact O-N 3.08Å; N640-A643 PolarHBondContact O-N 3.17Å; L641-A643 PolarHBondContact O-N 3.01Å; A643-L645 VanDerWaalsContact C-N 3.3Å; A643-L645 PolarHBondContact O-N 3.24Å; A643-T646 PolarHBondContact O-N 3.44Å; A643-T646 PolarHBondContact O-OG1 3.26Å; A643-V647 PolarHBondContact O-N 2.85Å; A643-V647 VanDerWaalsContact O-N 3.15Å |
| 644 | F | 78.7 | Confident | 81 | Confident | 98 Ų | 98 | 74.4 Ų | 74.4 | 43% | 0.43 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.6 | -37.1 | -180 | -161.9 | -90.9 | 0 | 0 | 0 | 112.2 | D540 N640 L641 T646 V647 | D540-F644 HydrophobicContact CB-CE2 4.31Å; D540-F644 HydrophobicContact CB-CZ 4.22Å; N640-F644 WeakPolarHBondContact O-CB 3.35Å; N640-F644 PolarHBondContact O-N 3.28Å; L641-F644 PolarHBondContact O-N 2.76Å; F644-T646 VanDerWaalsContact C-N 3.27Å; F644-T646 PolarHBondContact O-N 2.91Å; F644-V647 PolarHBondContact O-N 3.25Å |
| 645 | L | 74.3 | Confident | 80.7 | Confident | 74 Ų | 74 | 79.5 Ų | 79.5 | 39% | 0.387 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -70.5 | -21.2 | 175.8 | -69.3 | 173.6 | 0 | 0 | 0 | 113.4 | L641 A642 A643 L808 | L641-L645 HydrophobicContact CD1-CD1 4.47Å; L641-L645 HydrophobicContact CG-CD1 4.29Å; L641-L645 VanDerWaalsContact O-CG 3.3Å; L641-L645 WeakPolarHBondContact O-CG 3.45Å; L641-L645 PolarHBondContact O-N 3.4Å; A642-L645 PolarHBondContact O-N 3.35Å; A643-L645 VanDerWaalsContact C-N 3.3Å; A643-L645 PolarHBondContact O-N 3.24Å; L645-L808 HydrophobicContact CD1-CD1 4.32Å; L645-L808 HydrophobicContact CD2-CD1 3.48Å; L645-L808 VanDerWaalsContact CD2-CD1 3.48Å |
| 646 | T | 72.6 | Confident | 80.5 | Confident | 110 Ų | 110 | 78.5 Ų | 78.5 | 68% | 0.675 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -87.8 | -27.6 | 176.7 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | A642 A643 F644 | A642-T646 WeakPolarHBondContact O-CG2 3.36Å; A642-T646 PolarHBondContact O-N 3.01Å; A643-T646 PolarHBondContact O-N 3.44Å; A643-T646 PolarHBondContact O-OG1 3.26Å; F644-T646 VanDerWaalsContact C-N 3.27Å; F644-T646 PolarHBondContact O-N 2.91Å |
| 647 | V | 67.4 | Low | 80.1 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 48% | 0.479 | 42% | 0.423 | S | S | . | . | trans | -120.6 | 93.7 | -172.2 | -170.2 | 0 | 0 | 0 | 0 | 111.5 | A643 F644 R649 | A643-V647 PolarHBondContact O-N 2.85Å; A643-V647 VanDerWaalsContact O-N 3.15Å; F644-V647 PolarHBondContact O-N 3.25Å; V647-R649 HydrophobicContact CG1-CG 3.69Å; V647-R649 PolarHBondContact O-N 3.45Å | ||
| 648 | E | 66.4 | Low | 80 | Confident | 94 Ų | 94 | 78.5 Ų | 78.5 | 44% | 0.439 | 44% | 0.435 | S | S | . | . | trans | -86.3 | 91.8 | 167.1 | -66 | -176.7 | 175 | 0 | 0 | 109.8 | K530 | K530-E648 VanDerWaalsContact CD-OE2 3.26Å; K530-E648 WeakPolarHBondContact CD-OE2 3.03Å | ||
| 649 | R | 65.6 | Low | 80 | Confident | 207 Ų | 207 | 77.5 Ų | 77.5 | 78% | 0.781 | 43% | 0.426 | S | S | * | . | trans | -72.8 | 133.1 | 176.2 | -63 | -169.5 | 179.6 | 177.4 | 0.4 | 110.7 | V647 | V647-R649 HydrophobicContact CG1-CG 3.69Å; V647-R649 PolarHBondContact O-N 3.45Å | ||
| 650 | M | 66.4 | Low | 79.9 | Confident | 89 Ų | 89 | 74.6 Ų | 74.6 | 44% | 0.438 | 40% | 0.403 | S | S | . | . | trans | -81.2 | 127.4 | 169.8 | -60.9 | -179.6 | -163.7 | 0 | 0 | 109 | P528 K530 | P528-M650 HydrophobicContact CG-CB 4.41Å; K530-M650 HydrophobicContact CG-CE 4.19Å | ||
| 651 | V | 74.9 | Confident | 79.8 | Confident | 119 Ų | 119 | 71.4 Ų | 71.4 | 72% | 0.721 | 39% | 0.387 | S | S | * | . | trans | -104.2 | 124.8 | 173.3 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 652 | S | 78.6 | Confident | 80.1 | Confident | 29 Ų | 29 | 75.5 Ų | 75.5 | 20% | 0.203 | 40% | 0.402 | C | S | . | . | trans | -86.2 | 131.2 | 172.4 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | I525 I654 | I525-S652 WeakPolarHBondContact CD1-OG 3.46Å; S652-I654 PolarHBondContact O-N 3.41Å; S652-I654 PolarHBondContact OG-N 3.07Å; S652-I654 PolarHBondContact OG-O 3.43Å | ||
| 653 | P | 79.5 | Confident | 80.4 | Confident | 91 Ų | 91 | 75.3 Ų | 75.3 | 59% | 0.591 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -71.9 | -15.5 | 176 | 29.3 | -34.7 | 0 | 0 | 0 | 113.6 | I666 | P653-I666 HydrophobicContact CB-CD1 4.48Å; P653-I666 HydrophobicContact CG-CD1 4.34Å |
| 654 | I | 84.6 | Confident | 80.7 | Confident | 3 Ų | 3 | 78.6 Ų | 78.6 | 2% | 0.015 | 41% | 0.407 | C | S | . | . | trans | -131 | 126.9 | -177.7 | -63.1 | 158.6 | 0 | 0 | 0 | 108.4 | I525 S652 S656 D659 L660 I666 V744 | I525-I654 HydrophobicContact CG2-CD1 4.16Å; S652-I654 PolarHBondContact O-N 3.41Å; S652-I654 PolarHBondContact OG-N 3.07Å; S652-I654 PolarHBondContact OG-O 3.43Å; I654-S656 WeakPolarHBondContact CG2-O 3.3Å; I654-D659 HydrophobicContact CG2-CB 4.37Å; I654-L660 HydrophobicContact CD1-CD2 3.46Å; I654-L660 VanDerWaalsContact CD1-CD2 3.46Å; I654-L660 HydrophobicContact CD1-CG 4.26Å; I654-L660 HydrophobicContact CG1-CD2 4.22Å; I654-L660 HydrophobicContact CG2-CD2 4.49Å; I654-L660 HydrophobicContact CG2-CG 4.13Å; I654-I666 HydrophobicContact CD1-CB 4.4Å; I654-I666 HydrophobicContact CD1-CD1 3.51Å; I654-I666 HydrophobicContact CD1-CG2 4Å; I654-I666 HydrophobicContact CG1-CD1 4.04Å; I654-V744 HydrophobicContact CG2-CG2 4.2Å | ||
| 655 | E | 85.1 | Confident | 81.3 | Confident | 146 Ų | 146 | 80.3 Ų | 80.3 | 68% | 0.682 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -111.4 | -28.7 | 173.3 | -63.4 | -170.7 | 168.4 | 0 | 0 | 111.7 | D659 G745 | E655-D659 PolarHBondContact N-OD2 2.94Å; E655-D659 VanDerWaalsContact N-OD2 3.11Å; E655-G745 WeakPolarHBondContact O-CA 3.37Å; E655-G745 PolarHBondContact O-N 2.94Å |
| 656 | S | 87.5 | Confident | 82.1 | Confident | 40 Ų | 40 | 77.4 Ų | 77.4 | 28% | 0.28 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -135.4 | 164.6 | -175.3 | 74.6 | 0 | 0 | 0 | 0 | 113.2 | I654 E658 D659 | I654-S656 WeakPolarHBondContact CG2-O 3.3Å; S656-E658 PolarHBondContact O-N 3.27Å; S656-E658 PolarHBondContact OG-N 3.06Å; S656-D659 PolarHBondContact N-OD2 3.39Å; S656-D659 PolarHBondContact O-N 2.77Å; S656-D659 VanDerWaalsContact OG-CG 3.25Å; S656-D659 PolarHBondContact OG-N 3.32Å; S656-D659 PolarHBondContact OG-OD1 2.82Å; S656-D659 PolarHBondContact OG-OD2 3.5Å |
| 657 | A | 85.6 | Confident | 83.2 | Confident | 6 Ų | 6 | 73.3 Ų | 73.3 | 5% | 0.05 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.1 | -22.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I523 D659 L660 S661 F688 M691 L748 | I523-A657 HydrophobicContact CD1-CB 4.06Å; A657-D659 VanDerWaalsContact C-N 3.3Å; A657-L660 WeakPolarHBondContact O-CB 3.42Å; A657-L660 PolarHBondContact O-N 2.86Å; A657-S661 PolarHBondContact O-N 3.28Å; A657-F688 HydrophobicContact CB-CE1 4.45Å; A657-M691 HydrophobicContact CB-CE 4.49Å; A657-M691 HydrophobicContact CB-SD 4.1Å; A657-L748 HydrophobicContact CB-CD1 3.98Å; A657-L748 HydrophobicContact CB-CD2 3.38Å; A657-L748 HydrophobicContact CB-CG 4.33Å |
| 658 | E | 90.2 | Very high | 84.5 | Confident | 93 Ų | 93 | 69.8 Ų | 69.8 | 44% | 0.435 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 176.8 | -165.3 | -176.7 | 157.6 | 0 | 0 | 110.5 | S656 L660 S661 K662 V687 | S656-E658 PolarHBondContact O-N 3.27Å; S656-E658 PolarHBondContact OG-N 3.06Å; E658-L660 VanDerWaalsContact C-N 3.32Å; E658-L660 PolarHBondContact O-N 3.44Å; E658-S661 WeakPolarHBondContact O-CB 3.25Å; E658-S661 PolarHBondContact O-N 2.67Å; E658-S661 PolarHBondContact O-OG 3.09Å; E658-K662 HydrophobicContact CG-CD 4.44Å; E658-K662 WeakPolarHBondContact O-CG 3.4Å; E658-K662 PolarHBondContact O-N 2.85Å; E658-K662 VanDerWaalsContact O-N 3.09Å; E658-K662 WeakPolarHBondContact OE1-CE 3.49Å; E658-K662 IonicContact OE1-NZ 2.87Å; E658-K662 PolarHBondContact OE1-NZ 3.19Å; E658-V687 HydrophobicContact CB-CG1 4.48Å; E658-V687 HydrophobicContact CG-CG2 4.49Å |
| 659 | D | 90.6 | Very high | 85.8 | Confident | 53 Ų | 53 | 65.3 Ų | 65.3 | 28% | 0.283 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 176.7 | -55.4 | -34.6 | 0 | 0 | 0 | 110.7 | I654 E655 S656 A657 S661 K662 Q663 | I654-D659 HydrophobicContact CG2-CB 4.37Å; E655-D659 PolarHBondContact N-OD2 2.94Å; E655-D659 VanDerWaalsContact N-OD2 3.11Å; S656-D659 PolarHBondContact N-OD2 3.39Å; S656-D659 PolarHBondContact O-N 2.77Å; S656-D659 VanDerWaalsContact OG-CG 3.25Å; S656-D659 PolarHBondContact OG-N 3.32Å; S656-D659 PolarHBondContact OG-OD1 2.82Å; S656-D659 PolarHBondContact OG-OD2 3.5Å; A657-D659 VanDerWaalsContact C-N 3.3Å; D659-S661 PolarHBondContact O-N 2.91Å; D659-K662 PolarHBondContact O-N 3.11Å; D659-K662 VanDerWaalsContact O-N 3.09Å; D659-Q663 WeakPolarHBondContact O-CG 3.28Å; D659-Q663 PolarHBondContact O-N 2.98Å |
| 660 | L | 88.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.9 | -36.1 | 174.9 | -75 | 176.1 | 0 | 0 | 0 | 112.7 | I523 I654 A657 E658 Q663 I666 Y668 M691 A722 L724 | I523-L660 HydrophobicContact CD1-CD1 3.97Å; I523-L660 HydrophobicContact CG1-CD1 4.39Å; I523-L660 HydrophobicContact CG2-CD1 3.97Å; I654-L660 HydrophobicContact CD1-CD2 3.46Å; I654-L660 VanDerWaalsContact CD1-CD2 3.46Å; I654-L660 HydrophobicContact CD1-CG 4.26Å; I654-L660 HydrophobicContact CG1-CD2 4.22Å; I654-L660 HydrophobicContact CG2-CD2 4.49Å; I654-L660 HydrophobicContact CG2-CG 4.13Å; A657-L660 WeakPolarHBondContact O-CB 3.42Å; A657-L660 PolarHBondContact O-N 2.86Å; E658-L660 VanDerWaalsContact C-N 3.32Å; E658-L660 PolarHBondContact O-N 3.44Å; L660-Q663 PolarHBondContact O-NE2 3.31Å; L660-Q663 VanDerWaalsContact O-O 3.12Å; L660-I666 HydrophobicContact CD2-CG2 4.34Å; L660-Y668 HydrophobicContact CB-CD1 4.05Å; L660-Y668 HydrophobicContact CB-CE1 4.11Å; L660-Y668 HydrophobicContact CD1-CG 4.41Å; L660-Y668 HydrophobicContact CD2-CD1 3.99Å; L660-Y668 HydrophobicContact CD2-CG 4.49Å; L660-Y668 HydrophobicContact CG-CD1 4.44Å; L660-Y668 VanDerWaalsContact O-CE1 3.26Å; L660-Y668 WeakPolarHBondContact O-CE1 3.36Å; L660-M691 HydrophobicContact CB-CE 4.47Å; L660-M691 HydrophobicContact CD1-CE 4.31Å; L660-A722 HydrophobicContact CD1-CB 4.38Å; L660-A722 HydrophobicContact CD2-CB 4.02Å; L660-L724 HydrophobicContact CD1-CD2 4.38Å |
| 661 | S | 89.6 | Confident | 88.3 | Confident | 12 Ų | 12 | 52.5 Ų | 52.5 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -79 | -19.6 | -179.8 | 82.3 | 0 | 0 | 0 | 0 | 113.9 | A657 E658 D659 K690 | A657-S661 PolarHBondContact O-N 3.28Å; E658-S661 WeakPolarHBondContact O-CB 3.25Å; E658-S661 PolarHBondContact O-N 2.67Å; E658-S661 PolarHBondContact O-OG 3.09Å; D659-S661 PolarHBondContact O-N 2.91Å; S661-K690 VanDerWaalsContact O-CE 3.22Å; S661-K690 WeakPolarHBondContact O-CE 3.27Å; S661-K690 PolarHBondContact O-NZ 2.96Å |
| 662 | K | 90.8 | Very high | 88.8 | Confident | 135 Ų | 135 | 50.1 Ų | 50.1 | 59% | 0.587 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -86.1 | -30.9 | -180 | -75.7 | 174.8 | 178.8 | 164 | 0 | 112.5 | E658 D659 | E658-K662 HydrophobicContact CG-CD 4.44Å; E658-K662 WeakPolarHBondContact O-CG 3.4Å; E658-K662 PolarHBondContact O-N 2.85Å; E658-K662 VanDerWaalsContact O-N 3.09Å; E658-K662 WeakPolarHBondContact OE1-CE 3.49Å; E658-K662 IonicContact OE1-NZ 2.87Å; E658-K662 PolarHBondContact OE1-NZ 3.19Å; D659-K662 PolarHBondContact O-N 3.11Å; D659-K662 VanDerWaalsContact O-N 3.09Å |
| 663 | Q | 88.9 | Confident | 88.6 | Confident | 53 Ų | 53 | 51.3 Ų | 51.3 | 25% | 0.248 | 28% | 0.275 | C | S | . | . | trans | -106 | 163.9 | -177.2 | 66.8 | 79.3 | 43.6 | 0 | 0 | 112.4 | D659 L660 I666 | D659-Q663 WeakPolarHBondContact O-CG 3.28Å; D659-Q663 PolarHBondContact O-N 2.98Å; L660-Q663 PolarHBondContact O-NE2 3.31Å; L660-Q663 VanDerWaalsContact O-O 3.12Å; Q663-I666 PolarHBondContact NE2-O 3.03Å | ||
| 664 | T | 89.5 | Confident | 88.6 | Confident | 120 Ų | 120 | 47.7 Ų | 47.7 | 74% | 0.736 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -127.6 | -0.4 | 178.9 | 54.6 | 0 | 0 | 0 | 0 | 113.9 | ||
| 665 | E | 89.8 | Confident | 88.7 | Confident | 133 Ų | 133 | 48.5 Ų | 48.5 | 62% | 0.621 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -77.4 | -35.7 | -176.4 | -170 | -179.6 | -169.3 | 0 | 0 | 112.8 | K720 | E665-K720 HydrophobicContact CG-CD 4.21Å; E665-K720 IonicContact OE1-NZ 3.79Å; E665-K720 PolarHBondContact OE1-NZ 3.31Å; E665-K720 IonicContact OE2-NZ 2.85Å |
| 666 | I | 91.7 | Very high | 89 | Confident | 14 Ų | 14 | 42 Ų | 42 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -100.2 | 106.9 | 176.6 | -55.7 | 175.9 | 0 | 0 | 0 | 107.2 | P653 I654 L660 Q663 K720 A722 | P653-I666 HydrophobicContact CB-CD1 4.48Å; P653-I666 HydrophobicContact CG-CD1 4.34Å; I654-I666 HydrophobicContact CD1-CB 4.4Å; I654-I666 HydrophobicContact CD1-CD1 3.51Å; I654-I666 HydrophobicContact CD1-CG2 4Å; I654-I666 HydrophobicContact CG1-CD1 4.04Å; L660-I666 HydrophobicContact CD2-CG2 4.34Å; Q663-I666 PolarHBondContact NE2-O 3.03Å; I666-K720 WeakPolarHBondContact CA-O 3.24Å; I666-A722 HydrophobicContact CG2-CB 4.17Å |
| 667 | A | 94.6 | Very high | 89.1 | Confident | 24 Ų | 24 | 42.5 Ų | 42.5 | 20% | 0.198 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 154.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y694 K720 Y721 A722 | A667-Y694 WeakPolarHBondContact CA-OH 3.28Å; A667-Y694 WeakPolarHBondContact CB-OH 3.43Å; A667-K720 PolarHBondContact N-O 2.84Å; A667-Y721 HydrophobicContact CB-CD2 4.04Å; A667-Y721 CarbonylContact O-C 3.56Å; A667-Y721 WeakPolarHBondContact O-CA 3.38Å; A667-A722 PolarHBondContact O-N 3.39Å |
| 668 | Y | 95.1 | Very high | 89.2 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 2% | 0.02 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 150 | 176 | 54.4 | -89.4 | 0 | 0 | 0 | 112.1 | L660 M691 Y694 M695 V702 A722 L724 | L660-Y668 HydrophobicContact CB-CD1 4.05Å; L660-Y668 HydrophobicContact CB-CE1 4.11Å; L660-Y668 HydrophobicContact CD1-CG 4.41Å; L660-Y668 HydrophobicContact CD2-CD1 3.99Å; L660-Y668 HydrophobicContact CD2-CG 4.49Å; L660-Y668 HydrophobicContact CG-CD1 4.44Å; L660-Y668 VanDerWaalsContact O-CE1 3.26Å; L660-Y668 WeakPolarHBondContact O-CE1 3.36Å; Y668-M691 HydrophobicContact CD2-CE 3.87Å; Y668-M691 HydrophobicContact CE2-CB 3.82Å; Y668-M691 HydrophobicContact CE2-CE 3.72Å; Y668-M691 HydrophobicContact CE2-CG 3.95Å; Y668-M691 WeakPolarHBondContact OH-CA 3.16Å; Y668-Y694 HydrophobicContact CD1-CD1 4.29Å; Y668-Y694 AromaticContact CD1-CE1 3.98Å; Y668-Y694 HydrophobicContact CD1-CE1 3.98Å; Y668-Y694 HydrophobicContact CD2-CD1 4.19Å; Y668-Y694 HydrophobicContact CD2-CE1 4.35Å; Y668-Y694 AromaticContact CE1-CD1 3.68Å; Y668-Y694 HydrophobicContact CE1-CD1 3.68Å; Y668-Y694 AromaticContact CE1-CE1 3.74Å; Y668-Y694 HydrophobicContact CE1-CE1 3.74Å; Y668-Y694 HydrophobicContact CE1-CG 4.33Å; Y668-Y694 AromaticContact CE2-CD1 3.56Å; Y668-Y694 HydrophobicContact CE2-CD1 3.56Å; Y668-Y694 HydrophobicContact CE2-CE1 4.12Å; Y668-Y694 HydrophobicContact CE2-CG 4.45Å; Y668-Y694 HydrophobicContact CG-CE1 4.28Å; Y668-Y694 AromaticContact CZ-CD1 3.27Å; Y668-Y694 AromaticContact CZ-CE1 3.82Å; Y668-Y694 AromaticContact CZ-CG 3.88Å; Y668-Y694 WeakPolarHBondContact OH-CB 3.4Å; Y668-Y694 WeakPolarHBondContact OH-CD1 3.37Å; Y668-M695 HydrophobicContact CD2-CG 4.11Å; Y668-M695 HydrophobicContact CD2-SD 4.44Å; Y668-M695 HydrophobicContact CE2-CG 4.01Å; Y668-V702 VanDerWaalsContact O-CB 3.27Å; Y668-V702 WeakPolarHBondContact O-CB 3.44Å; Y668-V702 WeakPolarHBondContact O-CG2 3.19Å; Y668-A722 WeakPolarHBondContact CA-O 3.31Å; Y668-L724 HydrophobicContact CD2-CD1 4.28Å |
| 669 | G | 94.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 178 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V702 A722 Y723 L724 | G669-V702 WeakPolarHBondContact CA-O 3.09Å; G669-A722 PolarHBondContact N-O 3.39Å; G669-Y723 WeakPolarHBondContact O-CD2 3.18Å; G669-L724 PolarHBondContact O-N 3.41Å |
| 670 | T | 94.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -132.1 | 176 | -173.7 | 56.3 | 0 | 0 | 0 | 0 | 110.9 | T676 F680 M695 F703 V704 L724 | T670-T676 HydrophobicContact CG2-CG2 3.57Å; T670-F680 HydrophobicContact CG2-CD2 4.03Å; T670-F680 HydrophobicContact CG2-CE2 4Å; T670-M695 HydrophobicContact CG2-SD 4.03Å; T670-F703 VanDerWaalsContact O-CA 3.32Å; T670-F703 WeakPolarHBondContact O-CA 3.3Å; T670-F703 WeakPolarHBondContact OG1-CD1 3.44Å; T670-F703 WeakPolarHBondContact OG1-CE1 3.45Å; T670-V704 PolarHBondContact O-N 3.01Å; T670-V704 VanDerWaalsContact O-N 3.16Å; T670-L724 HydrophobicContact CG2-CB 3.69Å; T670-L724 HydrophobicContact CG2-CD1 4.07Å; T670-L724 HydrophobicContact CG2-CG 4.45Å | ||
| 671 | L | 90.2 | Very high | 89.5 | Confident | 27 Ų | 27 | 48 Ų | 48 | 14% | 0.141 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -71.1 | 133.4 | 172.2 | -168.3 | 73.2 | 0 | 0 | 0 | 111.6 | Y471 S673 G674 V704 R705 | Y471-L671 HydrophobicContact CE2-CD2 4.41Å; L671-S673 VanDerWaalsContact C-N 3.3Å; L671-S673 PolarHBondContact O-N 3.07Å; L671-G674 PolarHBondContact O-N 3.36Å; L671-G674 VanDerWaalsContact O-N 3.17Å; L671-V704 HydrophobicContact CD1-CG2 4.31Å; L671-R705 WeakPolarHBondContact CD1-O 3.34Å |
| 672 | D | 83.9 | Confident | 89.6 | Confident | 69 Ų | 69 | 54.3 Ų | 54.3 | 37% | 0.369 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -30.2 | -171.4 | -169.8 | 36.4 | 0 | 0 | 0 | 114.6 | K677 F703 V704 | D672-K677 WeakPolarHBondContact O-CD 3.39Å; D672-K677 PolarHBondContact O-NZ 3.49Å; D672-K677 IonicContact OD1-NZ 3.83Å; D672-K677 PolarHBondContact OD1-NZ 3.48Å; D672-F703 HydrophobicContact CB-CB 4.21Å; D672-V704 WeakPolarHBondContact CB-O 3.38Å; D672-V704 PolarHBondContact N-O 3.26Å |
| 673 | S | 75.4 | Confident | 89.7 | Confident | 53 Ų | 53 | 48.8 Ų | 48.8 | 37% | 0.371 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 30 | 176.9 | -63.7 | 0 | 0 | 0 | 0 | 112.7 | L671 | L671-S673 VanDerWaalsContact C-N 3.3Å; L671-S673 PolarHBondContact O-N 3.07Å |
| 674 | G | 79.3 | Confident | 89.8 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -94.7 | 156.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L671 T676 K677 | L671-G674 PolarHBondContact O-N 3.36Å; L671-G674 VanDerWaalsContact O-N 3.17Å; G674-T676 PolarHBondContact O-N 3.44Å; G674-K677 PolarHBondContact O-N 3Å |
| 675 | S | 85.9 | Confident | 90 | Very high | 20 Ų | 20 | 55 Ų | 55 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59 | -30.7 | 170.3 | 57 | 0 | 0 | 0 | 0 | 112.2 | T501 E678 F679 | T501-S675 PolarHBondContact OG1-OG 2.99Å; S675-E678 PolarHBondContact O-N 3.36Å; S675-F679 WeakPolarHBondContact O-CB 3.47Å; S675-F679 PolarHBondContact O-N 3.36Å |
| 676 | T | 91.2 | Very high | 90.2 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 6% | 0.055 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.1 | -40 | 176.4 | -51.5 | 0 | 0 | 0 | 0 | 112.9 | I521 T670 G674 F679 F680 | I521-T676 HydrophobicContact CD1-CG2 3.84Å; I521-T676 HydrophobicContact CG1-CG2 3.91Å; I521-T676 HydrophobicContact CG2-CG2 3.95Å; T670-T676 HydrophobicContact CG2-CG2 3.57Å; G674-T676 PolarHBondContact O-N 3.44Å; T676-F679 WeakPolarHBondContact O-CB 3.44Å; T676-F679 PolarHBondContact O-N 3.39Å; T676-F680 HydrophobicContact CG2-CD2 4.09Å; T676-F680 HydrophobicContact CG2-CE2 3.71Å; T676-F680 WeakPolarHBondContact O-CD2 3.46Å; T676-F680 PolarHBondContact O-N 2.87Å |
| 677 | K | 90.8 | Very high | 90.3 | Very high | 51 Ų | 51 | 53.9 Ų | 53.9 | 22% | 0.222 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 176.9 | -178.7 | -176.6 | 178.5 | -177.1 | 0 | 111.2 | D672 G674 F679 F680 R681 W692 F703 | D672-K677 WeakPolarHBondContact O-CD 3.39Å; D672-K677 PolarHBondContact O-NZ 3.49Å; D672-K677 IonicContact OD1-NZ 3.83Å; D672-K677 PolarHBondContact OD1-NZ 3.48Å; G674-K677 PolarHBondContact O-N 3Å; K677-F679 VanDerWaalsContact C-N 3.29Å; K677-F679 PolarHBondContact O-N 3.33Å; K677-F680 PolarHBondContact O-N 2.55Å; K677-R681 PolarHBondContact O-N 3.09Å; K677-W692 HydrophobicContact CG-CH2 4.17Å; K677-W692 HydrophobicContact CG-CZ3 3.92Å; K677-F703 HydrophobicContact CD-CD1 4.19Å; K677-F703 HydrophobicContact CD-CE1 4.08Å; K677-F703 HydrophobicContact CG-CD1 4.42Å; K677-F703 HydrophobicContact CG-CE1 3.92Å |
| 678 | E | 87.8 | Confident | 90.3 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 29% | 0.29 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.2 | -31.8 | 178.4 | -168.9 | 64 | -169.8 | 0 | 0 | 112 | S675 R681 R682 | S675-E678 PolarHBondContact O-N 3.36Å; E678-R681 PolarHBondContact O-N 3.05Å; E678-R681 WeakPolarHBondContact OE2-CD 3.04Å; E678-R681 IonicContact OE2-NH1 2.82Å; E678-R682 HydrophobicContact CG-CG 4.47Å; E678-R682 WeakPolarHBondContact O-CB 3.42Å; E678-R682 WeakPolarHBondContact O-CG 3.36Å; E678-R682 PolarHBondContact O-N 3.2Å; E678-R682 IonicContact OE1-CZ 2.72Å; E678-R682 VanDerWaalsContact OE1-CZ 3.3Å; E678-R682 IonicContact OE1-NE 2.71Å; E678-R682 PolarHBondContact OE1-NE 3.05Å; E678-R682 IonicContact OE1-NH2 3.84Å; E678-R682 PolarHBondContact OE1-NH2 3.33Å |
| 679 | F | 92.3 | Very high | 90.3 | Very high | 53 Ų | 53 | 57.2 Ų | 57.2 | 23% | 0.232 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.3 | -51.6 | 171.7 | 170.8 | -93.1 | 0 | 0 | 0 | 111.4 | I521 S675 T676 K677 R681 R682 S683 F688 D749 | I521-F679 HydrophobicContact CD1-CB 4.35Å; I521-F679 HydrophobicContact CD1-CD1 3.33Å; I521-F679 HydrophobicContact CD1-CD2 4.47Å; I521-F679 HydrophobicContact CD1-CE1 3.63Å; I521-F679 HydrophobicContact CD1-CG 3.8Å; I521-F679 HydrophobicContact CD1-CZ 4.31Å; S675-F679 WeakPolarHBondContact O-CB 3.47Å; S675-F679 PolarHBondContact O-N 3.36Å; T676-F679 WeakPolarHBondContact O-CB 3.44Å; T676-F679 PolarHBondContact O-N 3.39Å; K677-F679 VanDerWaalsContact C-N 3.29Å; K677-F679 PolarHBondContact O-N 3.33Å; F679-R681 VanDerWaalsContact C-N 3.34Å; F679-R681 PolarHBondContact O-N 3.34Å; F679-R682 PolarHBondContact O-N 3.16Å; F679-S683 VanDerWaalsContact O-CB 3.31Å; F679-S683 WeakPolarHBondContact O-CB 3.43Å; F679-S683 PolarHBondContact O-N 2.81Å; F679-F688 HydrophobicContact CE1-CD2 4.03Å; F679-F688 HydrophobicContact CE1-CE2 4.22Å; F679-F688 HydrophobicContact CE1-CG 4.49Å; F679-F688 HydrophobicContact CZ-CD2 4.06Å; F679-F688 HydrophobicContact CZ-CE2 4.02Å; F679-D749 HydrophobicContact CE2-CB 4.2Å; F679-D749 HydrophobicContact CZ-CB 4.23Å |
| 680 | F | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 177.8 | -74.4 | -69.9 | 0 | 0 | 0 | 112.3 | I521 T670 T676 K677 R682 S683 F688 M691 W692 M695 L724 L748 | I521-F680 HydrophobicContact CD1-CE2 4.35Å; T670-F680 HydrophobicContact CG2-CD2 4.03Å; T670-F680 HydrophobicContact CG2-CE2 4Å; T676-F680 HydrophobicContact CG2-CD2 4.09Å; T676-F680 HydrophobicContact CG2-CE2 3.71Å; T676-F680 WeakPolarHBondContact O-CD2 3.46Å; T676-F680 PolarHBondContact O-N 2.87Å; K677-F680 PolarHBondContact O-N 2.55Å; F680-R682 VanDerWaalsContact C-N 3.3Å; F680-R682 PolarHBondContact O-N 3.46Å; F680-S683 PolarHBondContact O-N 3.29Å; F680-F688 HydrophobicContact CD1-CB 4.01Å; F680-F688 HydrophobicContact CD1-CG 4.45Å; F680-F688 HydrophobicContact CE1-CB 4.14Å; F680-F688 AromaticContact CE1-CD1 3.88Å; F680-F688 HydrophobicContact CE1-CD1 3.88Å; F680-F688 HydrophobicContact CE1-CG 4.12Å; F680-M691 HydrophobicContact CD1-CB 4.47Å; F680-M691 HydrophobicContact CE1-CB 4.46Å; F680-M691 HydrophobicContact CE1-CE 4.3Å; F680-M691 HydrophobicContact CE1-SD 4.13Å; F680-M691 HydrophobicContact CZ-CE 4.37Å; F680-W692 HydrophobicContact CB-CB 4.17Å; F680-W692 HydrophobicContact CB-CD2 4.39Å; F680-W692 HydrophobicContact CB-CE3 3.83Å; F680-W692 WeakPolarHBondContact O-CB 3.27Å; F680-M695 HydrophobicContact CB-CE 3.66Å; F680-M695 HydrophobicContact CD1-CE 3.92Å; F680-M695 HydrophobicContact CD2-CE 3.6Å; F680-M695 HydrophobicContact CE2-CE 4.24Å; F680-M695 HydrophobicContact CG-CE 3.44Å; F680-M695 VanDerWaalsContact CG-CE 3.44Å; F680-L724 HydrophobicContact CE2-CD1 3.7Å; F680-L724 HydrophobicContact CZ-CD1 3.74Å; F680-L748 HydrophobicContact CZ-CD1 4.24Å |
| 681 | R | 91.1 | Very high | 90.2 | Very high | 154 Ų | 154 | 62.8 Ų | 62.8 | 58% | 0.581 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.2 | -34.8 | 176 | -173.5 | -178.5 | -177.2 | -177.2 | 3.3 | 113.6 | K677 E678 F679 W692 | K677-R681 PolarHBondContact O-N 3.09Å; E678-R681 PolarHBondContact O-N 3.05Å; E678-R681 WeakPolarHBondContact OE2-CD 3.04Å; E678-R681 IonicContact OE2-NH1 2.82Å; F679-R681 VanDerWaalsContact C-N 3.34Å; F679-R681 PolarHBondContact O-N 3.34Å; R681-W692 HydrophobicContact CB-CD2 4.23Å; R681-W692 HydrophobicContact CB-CE3 4.48Å; R681-W692 HydrophobicContact CB-CH2 3.96Å; R681-W692 HydrophobicContact CB-CZ2 3.66Å; R681-W692 HydrophobicContact CB-CZ3 4.36Å; R681-W692 HydrophobicContact CG-CH2 4.3Å; R681-W692 HydrophobicContact CG-CZ2 3.63Å |
| 682 | R | 90.9 | Very high | 90.5 | Very high | 144 Ų | 144 | 62.9 Ų | 62.9 | 54% | 0.543 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -97.1 | -12.5 | -178.5 | -67.2 | -173.8 | -174.9 | -160.3 | 1.8 | 114.2 | E678 F679 F680 | E678-R682 HydrophobicContact CG-CG 4.47Å; E678-R682 WeakPolarHBondContact O-CB 3.42Å; E678-R682 WeakPolarHBondContact O-CG 3.36Å; E678-R682 PolarHBondContact O-N 3.2Å; E678-R682 IonicContact OE1-CZ 2.72Å; E678-R682 VanDerWaalsContact OE1-CZ 3.3Å; E678-R682 IonicContact OE1-NE 2.71Å; E678-R682 PolarHBondContact OE1-NE 3.05Å; E678-R682 IonicContact OE1-NH2 3.84Å; E678-R682 PolarHBondContact OE1-NH2 3.33Å; F679-R682 PolarHBondContact O-N 3.16Å; F680-R682 VanDerWaalsContact C-N 3.3Å; F680-R682 PolarHBondContact O-N 3.46Å |
| 683 | S | 91.8 | Very high | 91 | Very high | 19 Ų | 19 | 62.3 Ų | 62.3 | 13% | 0.133 | 31% | 0.311 | C | S | . | . | trans | -64.3 | 137.5 | -175 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | F679 F680 I685 F688 | F679-S683 VanDerWaalsContact O-CB 3.31Å; F679-S683 WeakPolarHBondContact O-CB 3.43Å; F679-S683 PolarHBondContact O-N 2.81Å; F680-S683 PolarHBondContact O-N 3.29Å; S683-I685 PolarHBondContact OG-N 3.49Å; S683-F688 WeakPolarHBondContact OG-CB 3.26Å; S683-F688 WeakPolarHBondContact OG-CD2 3.38Å | ||
| 684 | K | 92.5 | Very high | 91.9 | Very high | 206 Ų | 206 | 62.5 Ų | 62.5 | 90% | 0.896 | 30% | 0.304 | S | S | * | . | trans | -105.2 | 2.3 | 175.9 | -61.2 | -173.1 | 178.9 | -177.2 | 0 | 112.9 | ||||
| 685 | I | 93.2 | Very high | 92.6 | Very high | 98 Ų | 98 | 61.9 Ų | 61.9 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -79.7 | 126.3 | 179.5 | -62.4 | 171.4 | 0 | 0 | 0 | 107.9 | S683 V687 F688 D689 | S683-I685 PolarHBondContact OG-N 3.49Å; I685-V687 VanDerWaalsContact C-N 3.28Å; I685-V687 PolarHBondContact O-N 3.42Å; I685-V687 VanDerWaalsContact O-N 3.14Å; I685-F688 HydrophobicContact CB-CB 4.41Å; I685-F688 HydrophobicContact CB-CD2 3.76Å; I685-F688 HydrophobicContact CB-CE2 4.39Å; I685-F688 HydrophobicContact CB-CG 4.32Å; I685-F688 HydrophobicContact CD1-CD2 3.79Å; I685-F688 HydrophobicContact CD1-CE2 3.72Å; I685-F688 HydrophobicContact CG1-CD2 4.28Å; I685-F688 HydrophobicContact CG2-CD2 4.07Å; I685-F688 HydrophobicContact CG2-CE2 4.39Å; I685-F688 HydrophobicContact CG2-CG 4.47Å; I685-F688 PolarHBondContact O-N 3.49Å; I685-D689 PolarHBondContact O-N 2.94Å |
| 686 | A | 93.7 | Very high | 93 | Very high | 80 Ų | 80 | 69 Ų | 69 | 66% | 0.661 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -52.5 | -41 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D689 K690 | A686-D689 PolarHBondContact O-N 2.92Å; A686-K690 WeakPolarHBondContact O-CB 3.32Å; A686-K690 PolarHBondContact O-N 3.38Å |
| 687 | V | 93.8 | Very high | 93.1 | Very high | 43 Ų | 43 | 72.5 Ų | 72.5 | 26% | 0.261 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 176.8 | 180 | 0 | 0 | 0 | 0 | 111.1 | E658 I685 K690 M691 | E658-V687 HydrophobicContact CB-CG1 4.48Å; E658-V687 HydrophobicContact CG-CG2 4.49Å; I685-V687 VanDerWaalsContact C-N 3.28Å; I685-V687 PolarHBondContact O-N 3.42Å; I685-V687 VanDerWaalsContact O-N 3.14Å; V687-K690 PolarHBondContact O-N 2.98Å; V687-M691 WeakPolarHBondContact O-CG 3.29Å; V687-M691 PolarHBondContact O-N 2.91Å |
| 688 | F | 94.8 | Very high | 93.2 | Very high | 20 Ų | 20 | 71 Ų | 71 | 9% | 0.088 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -74.4 | -32.3 | -178.3 | -60.9 | -26.8 | 0 | 0 | 0 | 112.9 | A657 F679 F680 S683 I685 M691 W692 L748 | A657-F688 HydrophobicContact CB-CE1 4.45Å; F679-F688 HydrophobicContact CE1-CD2 4.03Å; F679-F688 HydrophobicContact CE1-CE2 4.22Å; F679-F688 HydrophobicContact CE1-CG 4.49Å; F679-F688 HydrophobicContact CZ-CD2 4.06Å; F679-F688 HydrophobicContact CZ-CE2 4.02Å; F680-F688 HydrophobicContact CD1-CB 4.01Å; F680-F688 HydrophobicContact CD1-CG 4.45Å; F680-F688 HydrophobicContact CE1-CB 4.14Å; F680-F688 AromaticContact CE1-CD1 3.88Å; F680-F688 HydrophobicContact CE1-CD1 3.88Å; F680-F688 HydrophobicContact CE1-CG 4.12Å; S683-F688 WeakPolarHBondContact OG-CB 3.26Å; S683-F688 WeakPolarHBondContact OG-CD2 3.38Å; I685-F688 HydrophobicContact CB-CB 4.41Å; I685-F688 HydrophobicContact CB-CD2 3.76Å; I685-F688 HydrophobicContact CB-CE2 4.39Å; I685-F688 HydrophobicContact CB-CG 4.32Å; I685-F688 HydrophobicContact CD1-CD2 3.79Å; I685-F688 HydrophobicContact CD1-CE2 3.72Å; I685-F688 HydrophobicContact CG1-CD2 4.28Å; I685-F688 HydrophobicContact CG2-CD2 4.07Å; I685-F688 HydrophobicContact CG2-CE2 4.39Å; I685-F688 HydrophobicContact CG2-CG 4.47Å; I685-F688 PolarHBondContact O-N 3.49Å; F688-M691 HydrophobicContact CD1-SD 4.09Å; F688-M691 WeakPolarHBondContact O-CB 3.45Å; F688-M691 PolarHBondContact O-N 3.1Å; F688-W692 WeakPolarHBondContact O-CB 3.4Å; F688-W692 PolarHBondContact O-N 2.7Å; F688-L748 HydrophobicContact CE1-CB 4.36Å; F688-L748 HydrophobicContact CE1-CD1 4.27Å; F688-L748 HydrophobicContact CE1-CD2 4.26Å; F688-L748 HydrophobicContact CZ-CB 3.99Å; F688-L748 HydrophobicContact CZ-CD2 4.41Å |
| 689 | D | 94.3 | Very high | 93.3 | Very high | 79 Ų | 79 | 77.1 Ų | 77.1 | 42% | 0.422 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.8 | -39 | 173.4 | -172.5 | 33.1 | 0 | 0 | 0 | 111.3 | I685 A686 M691 W692 T693 | I685-D689 PolarHBondContact O-N 2.94Å; A686-D689 PolarHBondContact O-N 2.92Å; D689-M691 VanDerWaalsContact C-N 3.35Å; D689-M691 PolarHBondContact O-N 2.99Å; D689-W692 PolarHBondContact O-N 2.86Å; D689-T693 WeakPolarHBondContact O-CB 3.34Å; D689-T693 PolarHBondContact O-N 2.62Å; D689-T693 PolarHBondContact O-OG1 3.44Å |
| 690 | K | 94 | Very high | 93.3 | Very high | 116 Ų | 116 | 79.6 Ų | 79.6 | 50% | 0.504 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 170.9 | -168.1 | -179.1 | -175 | -164.5 | 0 | 111.5 | S661 A686 V687 T693 Y694 | S661-K690 VanDerWaalsContact O-CE 3.22Å; S661-K690 WeakPolarHBondContact O-CE 3.27Å; S661-K690 PolarHBondContact O-NZ 2.96Å; A686-K690 WeakPolarHBondContact O-CB 3.32Å; A686-K690 PolarHBondContact O-N 3.38Å; V687-K690 PolarHBondContact O-N 2.98Å; K690-T693 PolarHBondContact O-N 2.68Å; K690-Y694 PolarHBondContact O-N 3.21Å |
| 691 | M | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 174.8 | -70.7 | 178.4 | 77.6 | 0 | 0 | 112.5 | A657 L660 Y668 F680 V687 F688 D689 Y694 M695 L724 | A657-M691 HydrophobicContact CB-CE 4.49Å; A657-M691 HydrophobicContact CB-SD 4.1Å; L660-M691 HydrophobicContact CB-CE 4.47Å; L660-M691 HydrophobicContact CD1-CE 4.31Å; Y668-M691 HydrophobicContact CD2-CE 3.87Å; Y668-M691 HydrophobicContact CE2-CB 3.82Å; Y668-M691 HydrophobicContact CE2-CE 3.72Å; Y668-M691 HydrophobicContact CE2-CG 3.95Å; Y668-M691 WeakPolarHBondContact OH-CA 3.16Å; F680-M691 HydrophobicContact CD1-CB 4.47Å; F680-M691 HydrophobicContact CE1-CB 4.46Å; F680-M691 HydrophobicContact CE1-CE 4.3Å; F680-M691 HydrophobicContact CE1-SD 4.13Å; F680-M691 HydrophobicContact CZ-CE 4.37Å; V687-M691 WeakPolarHBondContact O-CG 3.29Å; V687-M691 PolarHBondContact O-N 2.91Å; F688-M691 HydrophobicContact CD1-SD 4.09Å; F688-M691 WeakPolarHBondContact O-CB 3.45Å; F688-M691 PolarHBondContact O-N 3.1Å; D689-M691 VanDerWaalsContact C-N 3.35Å; D689-M691 PolarHBondContact O-N 2.99Å; M691-Y694 PolarHBondContact O-N 3.38Å; M691-M695 HydrophobicContact CB-CE 4.43Å; M691-M695 WeakPolarHBondContact O-CG 3.42Å; M691-M695 PolarHBondContact O-N 3.3Å; M691-L724 HydrophobicContact CE-CD1 3.7Å |
| 692 | W | 95.1 | Very high | 93.5 | Very high | 29 Ų | 29 | 75.7 Ų | 75.7 | 11% | 0.11 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 176.8 | 177.1 | -118.2 | 0 | 0 | 0 | 112.1 | K677 F680 R681 F688 D689 Y694 M695 R696 F703 | K677-W692 HydrophobicContact CG-CH2 4.17Å; K677-W692 HydrophobicContact CG-CZ3 3.92Å; F680-W692 HydrophobicContact CB-CB 4.17Å; F680-W692 HydrophobicContact CB-CD2 4.39Å; F680-W692 HydrophobicContact CB-CE3 3.83Å; F680-W692 WeakPolarHBondContact O-CB 3.27Å; R681-W692 HydrophobicContact CB-CD2 4.23Å; R681-W692 HydrophobicContact CB-CE3 4.48Å; R681-W692 HydrophobicContact CB-CH2 3.96Å; R681-W692 HydrophobicContact CB-CZ2 3.66Å; R681-W692 HydrophobicContact CB-CZ3 4.36Å; R681-W692 HydrophobicContact CG-CH2 4.3Å; R681-W692 HydrophobicContact CG-CZ2 3.63Å; F688-W692 WeakPolarHBondContact O-CB 3.4Å; F688-W692 PolarHBondContact O-N 2.7Å; D689-W692 PolarHBondContact O-N 2.86Å; W692-Y694 VanDerWaalsContact C-N 3.3Å; W692-Y694 PolarHBondContact O-N 2.75Å; W692-M695 HydrophobicContact CE3-CB 4.43Å; W692-M695 HydrophobicContact CE3-CE 4.14Å; W692-M695 PolarHBondContact O-N 3.29Å; W692-R696 WeakPolarHBondContact O-CB 3.41Å; W692-R696 PolarHBondContact O-N 2.94Å; W692-F703 HydrophobicContact CH2-CZ 4.33Å; W692-F703 HydrophobicContact CZ3-CE1 4.17Å; W692-F703 AromaticContact CZ3-CZ 3.86Å; W692-F703 HydrophobicContact CZ3-CZ 3.86Å |
| 693 | T | 94.6 | Very high | 93.7 | Very high | 58 Ų | 58 | 70.4 Ų | 70.4 | 36% | 0.356 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 176.7 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | D689 K690 R696 S697 | D689-T693 WeakPolarHBondContact O-CB 3.34Å; D689-T693 PolarHBondContact O-N 2.62Å; D689-T693 PolarHBondContact O-OG1 3.44Å; K690-T693 PolarHBondContact O-N 2.68Å; T693-R696 PolarHBondContact O-N 2.99Å; T693-S697 PolarHBondContact O-N 3.26Å; T693-S697 VanDerWaalsContact O-N 3.12Å; T693-S697 PolarHBondContact O-OG 3.5Å |
| 694 | Y | 95 | Very high | 93.8 | Very high | 57 Ų | 57 | 69.5 Ų | 69.5 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.9 | -51.5 | 172.5 | 171.3 | -94.8 | 0 | 0 | 0 | 112.2 | A667 Y668 K690 M691 W692 R696 S697 A698 V702 | A667-Y694 WeakPolarHBondContact CA-OH 3.28Å; A667-Y694 WeakPolarHBondContact CB-OH 3.43Å; Y668-Y694 HydrophobicContact CD1-CD1 4.29Å; Y668-Y694 AromaticContact CD1-CE1 3.98Å; Y668-Y694 HydrophobicContact CD1-CE1 3.98Å; Y668-Y694 HydrophobicContact CD2-CD1 4.19Å; Y668-Y694 HydrophobicContact CD2-CE1 4.35Å; Y668-Y694 AromaticContact CE1-CD1 3.68Å; Y668-Y694 HydrophobicContact CE1-CD1 3.68Å; Y668-Y694 AromaticContact CE1-CE1 3.74Å; Y668-Y694 HydrophobicContact CE1-CE1 3.74Å; Y668-Y694 HydrophobicContact CE1-CG 4.33Å; Y668-Y694 AromaticContact CE2-CD1 3.56Å; Y668-Y694 HydrophobicContact CE2-CD1 3.56Å; Y668-Y694 HydrophobicContact CE2-CE1 4.12Å; Y668-Y694 HydrophobicContact CE2-CG 4.45Å; Y668-Y694 HydrophobicContact CG-CE1 4.28Å; Y668-Y694 AromaticContact CZ-CD1 3.27Å; Y668-Y694 AromaticContact CZ-CE1 3.82Å; Y668-Y694 AromaticContact CZ-CG 3.88Å; Y668-Y694 WeakPolarHBondContact OH-CB 3.4Å; Y668-Y694 WeakPolarHBondContact OH-CD1 3.37Å; K690-Y694 PolarHBondContact O-N 3.21Å; M691-Y694 PolarHBondContact O-N 3.38Å; W692-Y694 VanDerWaalsContact C-N 3.3Å; W692-Y694 PolarHBondContact O-N 2.75Å; Y694-R696 VanDerWaalsContact C-N 3.25Å; Y694-R696 PolarHBondContact O-N 3.18Å; Y694-S697 CarbonylContact O-C 3.55Å; Y694-S697 PolarHBondContact O-N 2.64Å; Y694-S697 VanDerWaalsContact O-N 3.14Å; Y694-S697 PolarHBondContact O-OG 2.72Å; Y694-A698 HydrophobicContact CE1-CB 4.44Å; Y694-A698 VanDerWaalsContact O-CB 3.3Å; Y694-A698 WeakPolarHBondContact O-CB 3.26Å; Y694-A698 PolarHBondContact O-N 3.38Å; Y694-V702 HydrophobicContact CE1-CG1 4.45Å |
| 695 | M | 94.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.1 | -34.4 | -178.4 | -74.5 | -172.1 | -78.4 | 0 | 0 | 112.7 | Y668 T670 F680 M691 W692 V702 F703 | Y668-M695 HydrophobicContact CD2-CG 4.11Å; Y668-M695 HydrophobicContact CD2-SD 4.44Å; Y668-M695 HydrophobicContact CE2-CG 4.01Å; T670-M695 HydrophobicContact CG2-SD 4.03Å; F680-M695 HydrophobicContact CB-CE 3.66Å; F680-M695 HydrophobicContact CD1-CE 3.92Å; F680-M695 HydrophobicContact CD2-CE 3.6Å; F680-M695 HydrophobicContact CE2-CE 4.24Å; F680-M695 HydrophobicContact CG-CE 3.44Å; F680-M695 VanDerWaalsContact CG-CE 3.44Å; M691-M695 HydrophobicContact CB-CE 4.43Å; M691-M695 WeakPolarHBondContact O-CG 3.42Å; M691-M695 PolarHBondContact O-N 3.3Å; W692-M695 HydrophobicContact CE3-CB 4.43Å; W692-M695 HydrophobicContact CE3-CE 4.14Å; W692-M695 PolarHBondContact O-N 3.29Å; M695-V702 HydrophobicContact CB-CG2 4.06Å; M695-V702 HydrophobicContact CG-CG2 4.01Å; M695-F703 HydrophobicContact CB-CE1 4.3Å; M695-F703 HydrophobicContact CB-CZ 3.83Å; M695-F703 WeakPolarHBondContact O-CE2 3.43Å; M695-F703 HydrophobicContact SD-CE1 4.33Å |
| 696 | R | 93.6 | Very high | 93.3 | Very high | 169 Ų | 169 | 68.7 Ų | 68.7 | 64% | 0.638 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -70.9 | -36.3 | 176.9 | -177 | -180 | 65 | -175.3 | -4.8 | 112.3 | W692 T693 Y694 | W692-R696 WeakPolarHBondContact O-CB 3.41Å; W692-R696 PolarHBondContact O-N 2.94Å; T693-R696 PolarHBondContact O-N 2.99Å; Y694-R696 VanDerWaalsContact C-N 3.25Å; Y694-R696 PolarHBondContact O-N 3.18Å |
| 697 | S | 93.6 | Very high | 93 | Very high | 83 Ų | 83 | 66 Ų | 66 | 58% | 0.58 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -96.1 | 2.4 | -177.9 | 66.9 | 0 | 0 | 0 | 0 | 114.2 | T693 Y694 E699 | T693-S697 PolarHBondContact O-N 3.26Å; T693-S697 VanDerWaalsContact O-N 3.12Å; T693-S697 PolarHBondContact O-OG 3.5Å; Y694-S697 CarbonylContact O-C 3.55Å; Y694-S697 PolarHBondContact O-N 2.64Å; Y694-S697 VanDerWaalsContact O-N 3.14Å; Y694-S697 PolarHBondContact O-OG 2.72Å; S697-E699 PolarHBondContact O-N 3.49Å |
| 698 | A | 92.6 | Very high | 92.9 | Very high | 19 Ų | 19 | 67.3 Ų | 67.3 | 16% | 0.157 | 35% | 0.348 | C | S | . | . | trans | -77.1 | 124 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y694 P700 V702 | Y694-A698 HydrophobicContact CE1-CB 4.44Å; Y694-A698 VanDerWaalsContact O-CB 3.3Å; Y694-A698 WeakPolarHBondContact O-CB 3.26Å; Y694-A698 PolarHBondContact O-N 3.38Å; A698-P700 CarbonylContact O-C 3.47Å; A698-V702 HydrophobicContact CB-CB 4.43Å; A698-V702 HydrophobicContact CB-CG1 3.57Å; A698-V702 HydrophobicContact CB-CG2 4.07Å | ||
| 699 | E | 90.7 | Very high | 92.9 | Very high | 190 Ų | 190 | 70.4 Ų | 70.4 | 89% | 0.888 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -118.9 | 121.7 | 172.5 | -65.7 | -177.8 | 179.3 | 0 | 0 | 109 | S697 | S697-E699 PolarHBondContact O-N 3.49Š|
| 700 | P | 92.1 | Very high | 92.8 | Very high | 106 Ų | 106 | 66.6 Ų | 66.6 | 69% | 0.688 | 34% | 0.342 | S | S | * | . | S | Bend | cis | -74.1 | 165.8 | -0.2 | 33.2 | -37.1 | 0 | 0 | 0 | 113.1 | A698 V702 | A698-P700 CarbonylContact O-C 3.47Å; P700-V702 PolarHBondContact O-N 3.17Å; P700-V702 VanDerWaalsContact O-N 3.15Å |
| 701 | S | 93.2 | Very high | 92.9 | Very high | 68 Ų | 68 | 61.4 Ų | 61.4 | 48% | 0.476 | 32% | 0.32 | S | S | . | . | trans | -47.3 | 122.6 | 179.5 | -179.9 | 0 | 0 | 0 | 0 | 112.1 | F703 R713 | S701-F703 VanDerWaalsContact C-N 3.28Å; S701-F703 PolarHBondContact OG-N 3.22Å; S701-F703 PolarHBondContact OG-O 3.37Å; S701-R713 PolarHBondContact O-NH1 2.95Å; S701-R713 PolarHBondContact O-NH2 3.44Å; S701-R713 VanDerWaalsContact O-NH2 3.11Å | ||
| 702 | V | 95.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | trans | -81.1 | -13.3 | 173.4 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | Y668 G669 Y694 M695 A698 P700 Y721 | Y668-V702 VanDerWaalsContact O-CB 3.27Å; Y668-V702 WeakPolarHBondContact O-CB 3.44Å; Y668-V702 WeakPolarHBondContact O-CG2 3.19Å; G669-V702 WeakPolarHBondContact CA-O 3.09Å; Y694-V702 HydrophobicContact CE1-CG1 4.45Å; M695-V702 HydrophobicContact CB-CG2 4.06Å; M695-V702 HydrophobicContact CG-CG2 4.01Å; A698-V702 HydrophobicContact CB-CB 4.43Å; A698-V702 HydrophobicContact CB-CG1 3.57Å; A698-V702 HydrophobicContact CB-CG2 4.07Å; P700-V702 PolarHBondContact O-N 3.17Å; P700-V702 VanDerWaalsContact O-N 3.15Å; V702-Y721 HydrophobicContact CB-CE2 4.47Å; V702-Y721 PolarHBondContact O-OH 3.21Å | ||
| 703 | F | 94.5 | Very high | 92.9 | Very high | 33 Ų | 33 | 64.9 Ų | 64.9 | 15% | 0.145 | 34% | 0.341 | C | S | . | . | trans | -79 | 141.7 | 178 | -55.1 | -73.6 | 0 | 0 | 0 | 111.5 | T670 D672 K677 W692 M695 S701 | T670-F703 VanDerWaalsContact O-CA 3.32Å; T670-F703 WeakPolarHBondContact O-CA 3.3Å; T670-F703 WeakPolarHBondContact OG1-CD1 3.44Å; T670-F703 WeakPolarHBondContact OG1-CE1 3.45Å; D672-F703 HydrophobicContact CB-CB 4.21Å; K677-F703 HydrophobicContact CD-CD1 4.19Å; K677-F703 HydrophobicContact CD-CE1 4.08Å; K677-F703 HydrophobicContact CG-CD1 4.42Å; K677-F703 HydrophobicContact CG-CE1 3.92Å; W692-F703 HydrophobicContact CH2-CZ 4.33Å; W692-F703 HydrophobicContact CZ3-CE1 4.17Å; W692-F703 AromaticContact CZ3-CZ 3.86Å; W692-F703 HydrophobicContact CZ3-CZ 3.86Å; M695-F703 HydrophobicContact CB-CE1 4.3Å; M695-F703 HydrophobicContact CB-CZ 3.83Å; M695-F703 WeakPolarHBondContact O-CE2 3.43Å; M695-F703 HydrophobicContact SD-CE1 4.33Å; S701-F703 VanDerWaalsContact C-N 3.28Å; S701-F703 PolarHBondContact OG-N 3.22Å; S701-F703 PolarHBondContact OG-O 3.37Å | ||
| 704 | V | 93.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -116.4 | 154.7 | 177.4 | -63.5 | 0 | 0 | 0 | 0 | 110.6 | T670 L671 D672 E709 Y723 | T670-V704 PolarHBondContact O-N 3.01Å; T670-V704 VanDerWaalsContact O-N 3.16Å; L671-V704 HydrophobicContact CD1-CG2 4.31Å; D672-V704 WeakPolarHBondContact CB-O 3.38Å; D672-V704 PolarHBondContact N-O 3.26Å; V704-E709 HydrophobicContact CB-CB 4.28Å; V704-E709 HydrophobicContact CB-CG 4.08Å; V704-E709 HydrophobicContact CG1-CG 4.09Å; V704-Y723 HydrophobicContact CG2-CD2 4.39Å; V704-Y723 HydrophobicContact CG2-CE2 3.4Å; V704-Y723 WeakPolarHBondContact CG2-OH 3.47Å |
| 705 | R | 88.3 | Confident | 92.9 | Very high | 211 Ų | 211 | 62.5 Ų | 62.5 | 80% | 0.796 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -84.7 | -32.5 | -177.5 | -64.1 | 179.8 | 178.3 | 174.8 | 0.3 | 112.6 | L671 E709 | L671-R705 WeakPolarHBondContact CD1-O 3.34Å; R705-E709 WeakPolarHBondContact CB-OE2 3.45Å; R705-E709 PolarHBondContact N-OE2 2.77Å |
| 706 | T | 87.8 | Confident | 92.9 | Very high | 76 Ų | 76 | 70.5 Ų | 70.5 | 47% | 0.466 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -130.9 | 154.6 | -178.2 | 66.1 | 0 | 0 | 0 | 0 | 111.7 | A708 E709 G710 | T706-A708 VanDerWaalsContact C-N 3.29Å; T706-A708 PolarHBondContact O-N 3.16Å; T706-E709 WeakPolarHBondContact O-CB 3.46Å; T706-E709 PolarHBondContact O-N 3.06Å; T706-E709 WeakPolarHBondContact OG1-CB 3.17Å; T706-E709 PolarHBondContact OG1-N 3.23Å; T706-G710 PolarHBondContact O-N 2.62Å |
| 707 | T | 87.9 | Confident | 92.8 | Very high | 22 Ų | 22 | 64.3 Ų | 64.3 | 14% | 0.135 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 176.8 | -50.8 | 0 | 0 | 0 | 0 | 111.6 | E423 E709 G710 V711 L725 M729 | E423-T707 PolarHBondContact OE1-OG1 2.79Å; T707-E709 VanDerWaalsContact C-N 3.34Å; T707-E709 PolarHBondContact O-N 2.98Å; T707-G710 PolarHBondContact O-N 3.34Å; T707-V711 WeakPolarHBondContact O-CG2 3.32Å; T707-V711 PolarHBondContact O-N 2.78Å; T707-L725 HydrophobicContact CG2-CD1 4.47Å; T707-M729 HydrophobicContact CG2-CE 3.74Å; T707-M729 HydrophobicContact CG2-CG 3.86Å |
| 708 | A | 91.8 | Very high | 92.5 | Very high | 72 Ų | 72 | 69 Ų | 69 | 60% | 0.595 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.2 | -36.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | T706 V711 A712 | T706-A708 VanDerWaalsContact C-N 3.29Å; T706-A708 PolarHBondContact O-N 3.16Å; A708-V711 PolarHBondContact O-N 2.75Å; A708-A712 WeakPolarHBondContact O-CB 3.31Å; A708-A712 PolarHBondContact O-N 3.34Å |
| 709 | E | 93.2 | Very high | 92.3 | Very high | 84 Ų | 84 | 69.3 Ų | 69.3 | 39% | 0.393 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 174 | -177.1 | -171.5 | 173.8 | 0 | 0 | 111.3 | V704 R705 T706 T707 A712 R713 | V704-E709 HydrophobicContact CB-CB 4.28Å; V704-E709 HydrophobicContact CB-CG 4.08Å; V704-E709 HydrophobicContact CG1-CG 4.09Å; R705-E709 WeakPolarHBondContact CB-OE2 3.45Å; R705-E709 PolarHBondContact N-OE2 2.77Å; T706-E709 WeakPolarHBondContact O-CB 3.46Å; T706-E709 PolarHBondContact O-N 3.06Å; T706-E709 WeakPolarHBondContact OG1-CB 3.17Å; T706-E709 PolarHBondContact OG1-N 3.23Å; T707-E709 VanDerWaalsContact C-N 3.34Å; T707-E709 PolarHBondContact O-N 2.98Å; E709-A712 PolarHBondContact O-N 3.45Å; E709-R713 WeakPolarHBondContact O-CB 3.32Å; E709-R713 PolarHBondContact O-N 3.47Å |
| 710 | G | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59 | -47.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T706 T707 R713 V714 | T706-G710 PolarHBondContact O-N 2.62Å; T707-G710 PolarHBondContact O-N 3.34Å; G710-R713 WeakPolarHBondContact O-CB 3.38Å; G710-R713 PolarHBondContact O-N 3.23Å; G710-V714 WeakPolarHBondContact O-CG2 3.45Å; G710-V714 PolarHBondContact O-N 3.42Å |
| 711 | V | 94.9 | Very high | 92.5 | Very high | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.5 | -48.4 | 176.5 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | M524 T707 A708 R713 V714 R715 I733 | M524-V711 HydrophobicContact CE-CG2 4.2Å; M524-V711 HydrophobicContact SD-CG2 3.97Å; T707-V711 WeakPolarHBondContact O-CG2 3.32Å; T707-V711 PolarHBondContact O-N 2.78Å; A708-V711 PolarHBondContact O-N 2.75Å; V711-R713 VanDerWaalsContact C-N 3.28Å; V711-R713 PolarHBondContact O-N 3.41Å; V711-V714 PolarHBondContact O-N 3.38Å; V711-R715 HydrophobicContact CG1-CG 4.5Å; V711-R715 VanDerWaalsContact O-CG 3.32Å; V711-R715 WeakPolarHBondContact O-CG 3.3Å; V711-R715 PolarHBondContact O-N 3.33Å; V711-I733 HydrophobicContact CG1-CG2 3.72Å; V711-I733 HydrophobicContact CG2-CD1 4.36Å; V711-I733 HydrophobicContact CG2-CG1 4.1Å; V711-I733 HydrophobicContact CG2-CG2 4.14Å |
| 712 | A | 95.3 | Very high | 92.6 | Very high | 37 Ų | 37 | 56.8 Ų | 56.8 | 31% | 0.306 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.4 | -35.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A708 E709 R715 K716 | A708-A712 WeakPolarHBondContact O-CB 3.31Å; A708-A712 PolarHBondContact O-N 3.34Å; E709-A712 PolarHBondContact O-N 3.45Å; A712-R715 PolarHBondContact O-N 2.91Å; A712-K716 WeakPolarHBondContact O-CB 3.31Å; A712-K716 VanDerWaalsContact O-CG 3.29Å; A712-K716 WeakPolarHBondContact O-CG 3.44Å; A712-K716 PolarHBondContact O-N 3.17Å |
| 713 | R | 95.5 | Very high | 92.7 | Very high | 64 Ų | 64 | 56.8 Ų | 56.8 | 24% | 0.242 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.6 | -48.7 | 175.2 | -169.4 | 172.7 | 179.1 | 167.9 | 1.1 | 110.9 | S701 E709 G710 V711 R715 K716 S717 Y721 | S701-R713 PolarHBondContact O-NH1 2.95Å; S701-R713 PolarHBondContact O-NH2 3.44Å; S701-R713 VanDerWaalsContact O-NH2 3.11Å; E709-R713 WeakPolarHBondContact O-CB 3.32Å; E709-R713 PolarHBondContact O-N 3.47Å; G710-R713 WeakPolarHBondContact O-CB 3.38Å; G710-R713 PolarHBondContact O-N 3.23Å; V711-R713 VanDerWaalsContact C-N 3.28Å; V711-R713 PolarHBondContact O-N 3.41Å; R713-R715 VanDerWaalsContact C-N 3.32Å; R713-R715 PolarHBondContact O-N 3.5Å; R713-K716 PolarHBondContact O-N 3.32Å; R713-S717 VanDerWaalsContact O-CB 3.31Å; R713-S717 WeakPolarHBondContact O-CB 3.26Å; R713-S717 PolarHBondContact O-N 3.38Å; R713-S717 PolarHBondContact O-OG 2.86Å; R713-Y721 HydrophobicContact CB-CD1 4.04Å; R713-Y721 HydrophobicContact CB-CE1 4.03Å; R713-Y721 HydrophobicContact CG-CD1 3.65Å; R713-Y721 HydrophobicContact CG-CE1 3.81Å; R713-Y721 HydrophobicContact CG-CG 4.04Å |
| 714 | V | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56 | -46.7 | 174.6 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | M524 K526 G710 V711 K716 S717 Y721 Y723 | M524-V714 HydrophobicContact CG-CG1 4.39Å; K526-V714 HydrophobicContact CB-CG1 4.15Å; K526-V714 VanDerWaalsContact N-CG1 3.34Å; G710-V714 WeakPolarHBondContact O-CG2 3.45Å; G710-V714 PolarHBondContact O-N 3.42Å; V711-V714 PolarHBondContact O-N 3.38Å; V714-K716 VanDerWaalsContact C-N 3.35Å; V714-K716 PolarHBondContact O-N 2.96Å; V714-S717 PolarHBondContact O-N 3.46Å; V714-Y721 HydrophobicContact CG2-CD1 3.69Å; V714-Y721 HydrophobicContact CG2-CE1 4.08Å; V714-Y723 HydrophobicContact CG2-CG 4.49Å |
| 715 | R | 94 | Very high | 92.7 | Very high | 66 Ų | 66 | 55.7 Ų | 55.7 | 25% | 0.249 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.5 | -40.5 | -179.5 | -67.9 | -177.3 | 167.4 | 166.1 | -2.1 | 112.7 | K526 V711 A712 R713 D740 T741 | K526-R715 PolarHBondContact NZ-O 3.2Å; V711-R715 HydrophobicContact CG1-CG 4.5Å; V711-R715 VanDerWaalsContact O-CG 3.32Å; V711-R715 WeakPolarHBondContact O-CG 3.3Å; V711-R715 PolarHBondContact O-N 3.33Å; A712-R715 PolarHBondContact O-N 2.91Å; R713-R715 VanDerWaalsContact C-N 3.32Å; R713-R715 PolarHBondContact O-N 3.5Å; R715-D740 VanDerWaalsContact CD-OD2 3.28Å; R715-D740 WeakPolarHBondContact CD-OD2 3.33Å; R715-D740 WeakPolarHBondContact CG-OD2 3.45Å; R715-D740 IonicContact CZ-OD1 3.19Å; R715-D740 IonicContact NE-OD1 2.7Å; R715-D740 PolarHBondContact NE-OD1 3.16Å; R715-D740 IonicContact NE-OD2 3.74Å; R715-D740 PolarHBondContact NE-OD2 2.72Å; R715-D740 IonicContact NH2-OD1 2.59Å; R715-D740 PolarHBondContact NH2-OD1 3.32Å; R715-T741 HydrophobicContact CG-CG2 4.35Å |
| 716 | K | 94.2 | Very high | 93 | Very high | 170 Ų | 170 | 46.7 Ų | 46.7 | 74% | 0.739 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -79.2 | -32.3 | -178.1 | -71.7 | 176.1 | -179.1 | -179 | 0 | 113.3 | A712 R713 V714 K718 | A712-K716 WeakPolarHBondContact O-CB 3.31Å; A712-K716 VanDerWaalsContact O-CG 3.29Å; A712-K716 WeakPolarHBondContact O-CG 3.44Å; A712-K716 PolarHBondContact O-N 3.17Å; R713-K716 PolarHBondContact O-N 3.32Å; V714-K716 VanDerWaalsContact C-N 3.35Å; V714-K716 PolarHBondContact O-N 2.96Å; K716-K718 PolarHBondContact O-N 2.98Å; K716-K718 VanDerWaalsContact O-N 3.07Å |
| 717 | S | 92.5 | Very high | 93.3 | Very high | 38 Ų | 38 | 43.3 Ų | 43.3 | 27% | 0.266 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 5.1 | -174.4 | -68.7 | 0 | 0 | 0 | 0 | 115.6 | R713 V714 G719 K720 Y721 | R713-S717 VanDerWaalsContact O-CB 3.31Å; R713-S717 WeakPolarHBondContact O-CB 3.26Å; R713-S717 PolarHBondContact O-N 3.38Å; R713-S717 PolarHBondContact O-OG 2.86Å; V714-S717 PolarHBondContact O-N 3.46Å; S717-G719 PolarHBondContact O-N 3.4Å; S717-G719 VanDerWaalsContact O-N 3.07Å; S717-K720 WeakPolarHBondContact O-CB 3.21Å; S717-K720 PolarHBondContact O-N 2.91Å; S717-Y721 WeakPolarHBondContact OG-CB 3.34Å |
| 718 | K | 88.3 | Confident | 93.6 | Very high | 181 Ų | 181 | 42.3 Ų | 42.3 | 79% | 0.787 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 38.8 | 178 | -58.9 | -176.1 | -178.7 | 179.1 | 0 | 113.7 | K716 | K716-K718 PolarHBondContact O-N 2.98Å; K716-K718 VanDerWaalsContact O-N 3.07Å |
| 719 | G | 87.8 | Confident | 93.6 | Very high | 26 Ų | 26 | 39.7 Ų | 39.7 | 27% | 0.268 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 5.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | S717 | S717-G719 PolarHBondContact O-N 3.4Å; S717-G719 VanDerWaalsContact O-N 3.07Å |
| 720 | K | 92.2 | Very high | 93.6 | Very high | 99 Ų | 99 | 35.7 Ų | 35.7 | 43% | 0.43 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -93.5 | 5.3 | 176.2 | -57.3 | -64 | 179.6 | -172.2 | 0 | 114.6 | E665 I666 A667 S717 | E665-K720 HydrophobicContact CG-CD 4.21Å; E665-K720 IonicContact OE1-NZ 3.79Å; E665-K720 PolarHBondContact OE1-NZ 3.31Å; E665-K720 IonicContact OE2-NZ 2.85Å; I666-K720 WeakPolarHBondContact CA-O 3.24Å; A667-K720 PolarHBondContact N-O 2.84Å; S717-K720 WeakPolarHBondContact O-CB 3.21Å; S717-K720 PolarHBondContact O-N 2.91Å |
| 721 | Y | 94.5 | Very high | 93.6 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 128.9 | 174.4 | -178.3 | -102 | 0 | 0 | 0 | 110.1 | A667 V702 R713 V714 S717 Y723 | A667-Y721 HydrophobicContact CB-CD2 4.04Å; A667-Y721 CarbonylContact O-C 3.56Å; A667-Y721 WeakPolarHBondContact O-CA 3.38Å; V702-Y721 HydrophobicContact CB-CE2 4.47Å; V702-Y721 PolarHBondContact O-OH 3.21Å; R713-Y721 HydrophobicContact CB-CD1 4.04Å; R713-Y721 HydrophobicContact CB-CE1 4.03Å; R713-Y721 HydrophobicContact CG-CD1 3.65Å; R713-Y721 HydrophobicContact CG-CE1 3.81Å; R713-Y721 HydrophobicContact CG-CG 4.04Å; V714-Y721 HydrophobicContact CG2-CD1 3.69Å; V714-Y721 HydrophobicContact CG2-CE1 4.08Å; S717-Y721 WeakPolarHBondContact OG-CB 3.34Å; Y721-Y723 HydrophobicContact CE1-CD2 4.2Å; Y721-Y723 HydrophobicContact CE1-CG 4.48Å |
| 722 | A | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 140.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | I523 M524 I525 L660 I666 A667 Y668 G669 | I523-A722 HydrophobicContact CG2-CB 4.14Å; M524-A722 WeakPolarHBondContact O-CA 3.26Å; I525-A722 HydrophobicContact CG2-CB 3.96Å; L660-A722 HydrophobicContact CD1-CB 4.38Å; L660-A722 HydrophobicContact CD2-CB 4.02Å; I666-A722 HydrophobicContact CG2-CB 4.17Å; A667-A722 PolarHBondContact O-N 3.39Å; Y668-A722 WeakPolarHBondContact CA-O 3.31Å; G669-A722 PolarHBondContact N-O 3.39Å |
| 723 | Y | 96 | Very high | 93.4 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.9 | -178.9 | -173.3 | -128 | 0 | 0 | 0 | 110.6 | M524 G669 V704 V714 Y721 L725 | M524-Y723 PolarHBondContact N-O 3.38Å; M524-Y723 PolarHBondContact O-N 2.9Å; G669-Y723 WeakPolarHBondContact O-CD2 3.18Å; V704-Y723 HydrophobicContact CG2-CD2 4.39Å; V704-Y723 HydrophobicContact CG2-CE2 3.4Å; V704-Y723 WeakPolarHBondContact CG2-OH 3.47Å; V714-Y723 HydrophobicContact CG2-CG 4.49Å; Y721-Y723 HydrophobicContact CE1-CD2 4.2Å; Y721-Y723 HydrophobicContact CE1-CG 4.48Å; Y723-L725 HydrophobicContact CD1-CB 4.12Å; Y723-L725 HydrophobicContact CD1-CD1 4.27Å; Y723-L725 HydrophobicContact CD1-CD2 3.85Å; Y723-L725 HydrophobicContact CD1-CG 4.29Å; Y723-L725 HydrophobicContact CE1-CB 3.84Å; Y723-L725 HydrophobicContact CE1-CD1 4.17Å; Y723-L725 HydrophobicContact CE1-CD2 4.39Å; Y723-L725 HydrophobicContact CE1-CG 4.35Å; Y723-L725 WeakPolarHBondContact O-CD2 3.43Å |
| 724 | L | 95.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 111.4 | -179.4 | -60.3 | 176.5 | 0 | 0 | 0 | 109.1 | I521 I523 L660 Y668 G669 T670 F680 M691 | I521-L724 HydrophobicContact CG2-CB 4.3Å; I523-L724 HydrophobicContact CB-CD2 4.27Å; I523-L724 HydrophobicContact CG1-CD2 3.71Å; I523-L724 HydrophobicContact CG2-CD2 4.32Å; L660-L724 HydrophobicContact CD1-CD2 4.38Å; Y668-L724 HydrophobicContact CD2-CD1 4.28Å; G669-L724 PolarHBondContact O-N 3.41Å; T670-L724 HydrophobicContact CG2-CB 3.69Å; T670-L724 HydrophobicContact CG2-CD1 4.07Å; T670-L724 HydrophobicContact CG2-CG 4.45Å; F680-L724 HydrophobicContact CE2-CD1 3.7Å; F680-L724 HydrophobicContact CZ-CD1 3.74Å; M691-L724 HydrophobicContact CE-CD1 3.7Å |
| 725 | L | 93.8 | Very high | 93 | Very high | 9 Ų | 9 | 38.8 Ų | 38.8 | 5% | 0.047 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 170.9 | -177.4 | 75.8 | 163 | 0 | 0 | 0 | 110.8 | S522 M524 T707 Y723 M729 N730 | S522-L725 PolarHBondContact N-O 3.4Å; S522-L725 PolarHBondContact O-N 3.21Å; S522-L725 VanDerWaalsContact O-N 3.16Å; S522-L725 VanDerWaalsContact O-O 3.09Å; S522-L725 PolarHBondContact OG-O 2.98Å; M524-L725 HydrophobicContact CB-CD2 3.44Å; M524-L725 VanDerWaalsContact CB-CD2 3.44Å; M524-L725 HydrophobicContact CE-CD1 3.86Å; M524-L725 HydrophobicContact CE-CD2 3.95Å; M524-L725 HydrophobicContact CG-CD2 4.47Å; M524-L725 HydrophobicContact SD-CD2 4.38Å; T707-L725 HydrophobicContact CG2-CD1 4.47Å; Y723-L725 HydrophobicContact CD1-CB 4.12Å; Y723-L725 HydrophobicContact CD1-CD1 4.27Å; Y723-L725 HydrophobicContact CD1-CD2 3.85Å; Y723-L725 HydrophobicContact CD1-CG 4.29Å; Y723-L725 HydrophobicContact CE1-CB 3.84Å; Y723-L725 HydrophobicContact CE1-CD1 4.17Å; Y723-L725 HydrophobicContact CE1-CD2 4.39Å; Y723-L725 HydrophobicContact CE1-CG 4.35Å; Y723-L725 WeakPolarHBondContact O-CD2 3.43Å; L725-M729 HydrophobicContact CD1-CB 3.84Å; L725-M729 HydrophobicContact CD1-CG 3.73Å; L725-N730 HydrophobicContact CD1-CB 4.44Å; L725-N730 HydrophobicContact CD2-CB 4.11Å; L725-N730 HydrophobicContact CG-CB 4.23Å |
| 726 | E | 93.7 | Very high | 92.9 | Very high | 23 Ų | 23 | 39.1 Ų | 39.1 | 11% | 0.107 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 141.4 | 178.9 | -67.7 | 179.2 | 152.1 | 0 | 0 | 111.7 | T501 L519 G520 T728 M729 N730 Y753 | T501-E726 PolarHBondContact OG1-OE1 2.94Å; L519-E726 HydrophobicContact CD1-CB 3.99Å; L519-E726 HydrophobicContact CD1-CG 3.77Å; G520-E726 CarbonylContact O-C 3.51Å; G520-E726 WeakPolarHBondContact O-CA 3.44Å; E726-T728 VanDerWaalsContact C-N 3.26Å; E726-T728 PolarHBondContact O-N 2.91Å; E726-M729 PolarHBondContact O-N 3.32Å; E726-M729 VanDerWaalsContact O-N 3.09Å; E726-N730 PolarHBondContact O-N 3.01Å; E726-Y753 WeakPolarHBondContact OE2-CE1 3.43Å; E726-Y753 VanDerWaalsContact OE2-CZ 3.23Å; E726-Y753 PolarHBondContact OE2-OH 2.72Å |
| 727 | S | 94.7 | Very high | 92.6 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.028 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59 | -35.6 | -172.4 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | L519 G520 S522 M729 N730 E731 N747 | L519-S727 WeakPolarHBondContact CA-OG 3.39Å; G520-S727 PolarHBondContact N-OG 2.73Å; G520-S727 WeakPolarHBondContact O-CB 3.42Å; G520-S727 PolarHBondContact O-N 3.49Å; S522-S727 WeakPolarHBondContact OG-CA 3.31Å; S727-M729 VanDerWaalsContact C-N 3.32Å; S727-M729 PolarHBondContact O-N 3.23Å; S727-N730 PolarHBondContact O-N 2.9Å; S727-E731 WeakPolarHBondContact O-CB 3.49Å; S727-E731 VanDerWaalsContact O-CG 3.3Å; S727-E731 WeakPolarHBondContact O-CG 3.43Å; S727-E731 PolarHBondContact O-N 3.19Å; S727-N747 WeakPolarHBondContact CB-OD1 3.49Å |
| 728 | T | 93 | Very high | 92.5 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.4 | -43.7 | 176.7 | 47.4 | 0 | 0 | 0 | 0 | 111.5 | Y426 M517 L519 E726 Y732 Y753 W788 | Y426-T728 WeakPolarHBondContact OH-CB 3.48Å; Y426-T728 PolarHBondContact OH-OG1 3.13Å; M517-T728 HydrophobicContact CG-CG2 4.04Å; M517-T728 HydrophobicContact SD-CG2 3.45Å; M517-T728 WeakPolarHBondContact SD-CG2 3.23Å; L519-T728 HydrophobicContact CB-CG2 3.81Å; L519-T728 HydrophobicContact CD2-CG2 4.21Å; E726-T728 VanDerWaalsContact C-N 3.26Å; E726-T728 PolarHBondContact O-N 2.91Å; T728-Y732 WeakPolarHBondContact O-CB 3.4Å; T728-Y732 PolarHBondContact O-N 3.07Å; T728-Y732 VanDerWaalsContact O-N 3.1Å; T728-Y753 HydrophobicContact CG2-CE2 4.37Å; T728-Y753 PolarHBondContact OG1-OH 3.31Å; T728-W788 PolarHBondContact O-NE1 3.36Å |
| 729 | M | 92.5 | Very high | 92.5 | Very high | 18 Ų | 18 | 33.3 Ų | 33.3 | 9% | 0.089 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -74.8 | -34.9 | 177.9 | -170.1 | 55.2 | 175 | 0 | 0 | 111.6 | E423 S424 T707 L725 E726 S727 Y732 I733 | E423-M729 HydrophobicContact CG-CE 4.42Å; S424-M729 VanDerWaalsContact O-SD 3.36Å; T707-M729 HydrophobicContact CG2-CE 3.74Å; T707-M729 HydrophobicContact CG2-CG 3.86Å; L725-M729 HydrophobicContact CD1-CB 3.84Å; L725-M729 HydrophobicContact CD1-CG 3.73Å; E726-M729 PolarHBondContact O-N 3.32Å; E726-M729 VanDerWaalsContact O-N 3.09Å; S727-M729 VanDerWaalsContact C-N 3.32Å; S727-M729 PolarHBondContact O-N 3.23Å; M729-Y732 HydrophobicContact CE-CD1 4.38Å; M729-Y732 PolarHBondContact O-N 3.25Å; M729-Y732 HydrophobicContact SD-CD1 4Å; M729-I733 HydrophobicContact CE-CD1 3.8Å; M729-I733 HydrophobicContact CE-CG1 4Å; M729-I733 HydrophobicContact CG-CG1 4.43Å; M729-I733 VanDerWaalsContact O-CG1 3.26Å; M729-I733 WeakPolarHBondContact O-CG1 3.46Å; M729-I733 PolarHBondContact O-N 3.45Å; M729-I733 HydrophobicContact SD-CG1 4.29Å |
| 730 | N | 93.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.1 | -49.2 | 175.6 | -162.7 | 2.7 | 0 | 0 | 0 | 111.8 | S522 I523 M524 L725 E726 S727 Y732 I733 E734 | S522-N730 VanDerWaalsContact OG-CB 3.25Å; S522-N730 WeakPolarHBondContact OG-CB 3.35Å; S522-N730 PolarHBondContact OG-ND2 2.87Å; I523-N730 PolarHBondContact O-ND2 3.48Å; I523-N730 VanDerWaalsContact O-ND2 3.09Å; M524-N730 WeakPolarHBondContact CB-OD1 3.41Å; M524-N730 HydrophobicContact CE-CB 4.39Å; M524-N730 VanDerWaalsContact CE-OD1 3.28Å; M524-N730 WeakPolarHBondContact CE-OD1 3.48Å; L725-N730 HydrophobicContact CD1-CB 4.44Å; L725-N730 HydrophobicContact CD2-CB 4.11Å; L725-N730 HydrophobicContact CG-CB 4.23Å; E726-N730 PolarHBondContact O-N 3.01Å; S727-N730 PolarHBondContact O-N 2.9Å; N730-Y732 VanDerWaalsContact C-N 3.29Å; N730-Y732 PolarHBondContact O-N 2.88Å; N730-I733 PolarHBondContact O-N 3.42Å; N730-E734 WeakPolarHBondContact O-CB 3.46Å; N730-E734 PolarHBondContact O-N 2.95Å |
| 731 | E | 92.6 | Very high | 92.6 | Very high | 37 Ų | 37 | 28.8 Ų | 28.8 | 17% | 0.173 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.3 | -38.2 | 175.6 | -73.1 | 163.6 | -156.4 | 0 | 0 | 111.7 | S727 Q735 K743 | S727-E731 WeakPolarHBondContact O-CB 3.49Å; S727-E731 VanDerWaalsContact O-CG 3.3Å; S727-E731 WeakPolarHBondContact O-CG 3.43Å; S727-E731 PolarHBondContact O-N 3.19Å; E731-Q735 WeakPolarHBondContact O-CG 3.36Å; E731-Q735 PolarHBondContact O-N 3.25Å; E731-K743 HydrophobicContact CG-CD 4.26Å; E731-K743 IonicContact OE1-NZ 2.67Å; E731-K743 PolarHBondContact OE1-NZ 3.08Å |
| 732 | Y | 93.4 | Very high | 92.4 | Very high | 17 Ų | 17 | 30.7 Ų | 30.7 | 7% | 0.067 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.5 | -51.2 | 174.6 | 178.1 | -113.4 | 0 | 0 | 0 | 111.9 | P425 T728 M729 N730 E734 Q735 R736 | P425-Y732 HydrophobicContact CB-CD2 3.96Å; P425-Y732 HydrophobicContact CB-CE2 3.51Å; P425-Y732 HydrophobicContact CG-CD1 4.47Å; P425-Y732 HydrophobicContact CG-CD2 3.53Å; P425-Y732 HydrophobicContact CG-CE2 3.66Å; P425-Y732 HydrophobicContact CG-CG 3.96Å; T728-Y732 WeakPolarHBondContact O-CB 3.4Å; T728-Y732 PolarHBondContact O-N 3.07Å; T728-Y732 VanDerWaalsContact O-N 3.1Å; M729-Y732 HydrophobicContact CE-CD1 4.38Å; M729-Y732 PolarHBondContact O-N 3.25Å; M729-Y732 HydrophobicContact SD-CD1 4Å; N730-Y732 VanDerWaalsContact C-N 3.29Å; N730-Y732 PolarHBondContact O-N 2.88Å; Y732-E734 VanDerWaalsContact C-N 3.28Å; Y732-E734 PolarHBondContact O-N 3.02Å; Y732-Q735 WeakPolarHBondContact O-CA 3.26Å; Y732-Q735 WeakPolarHBondContact O-CB 3.47Å; Y732-Q735 PolarHBondContact O-N 2.8Å; Y732-R736 HydrophobicContact CD1-CG 4.35Å; Y732-R736 HydrophobicContact CE1-CG 4.05Å; Y732-R736 HydrophobicContact CE2-CG 4.5Å; Y732-R736 WeakPolarHBondContact O-CG 3.36Å; Y732-R736 PolarHBondContact O-N 3.06Å |
| 733 | I | 93.5 | Very high | 92.2 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 10% | 0.097 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.8 | -33.3 | -176.5 | -66.1 | -62.8 | 0 | 0 | 0 | 111.8 | M524 V711 M729 N730 Q735 R736 T741 | M524-I733 HydrophobicContact CE-CB 3.65Å; M524-I733 HydrophobicContact CE-CG1 4.15Å; M524-I733 HydrophobicContact CE-CG2 3.63Å; M524-I733 HydrophobicContact SD-CG2 4.34Å; V711-I733 HydrophobicContact CG1-CG2 3.72Å; V711-I733 HydrophobicContact CG2-CD1 4.36Å; V711-I733 HydrophobicContact CG2-CG1 4.1Å; V711-I733 HydrophobicContact CG2-CG2 4.14Å; M729-I733 HydrophobicContact CE-CD1 3.8Å; M729-I733 HydrophobicContact CE-CG1 4Å; M729-I733 HydrophobicContact CG-CG1 4.43Å; M729-I733 VanDerWaalsContact O-CG1 3.26Å; M729-I733 WeakPolarHBondContact O-CG1 3.46Å; M729-I733 PolarHBondContact O-N 3.45Å; M729-I733 HydrophobicContact SD-CG1 4.29Å; N730-I733 PolarHBondContact O-N 3.42Å; I733-Q735 PolarHBondContact O-N 3.14Å; I733-R736 PolarHBondContact O-N 2.87Å; I733-R736 VanDerWaalsContact O-N 3.08Å; I733-T741 HydrophobicContact CG2-CG2 4.1Å |
| 734 | E | 91.8 | Very high | 92 | Very high | 63 Ų | 63 | 33.5 Ų | 33.5 | 29% | 0.294 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -58.5 | -33.6 | 171 | -179.2 | 169.9 | 178.3 | 0 | 0 | 112.8 | N730 Y732 R736 K743 C794 | N730-E734 WeakPolarHBondContact O-CB 3.46Å; N730-E734 PolarHBondContact O-N 2.95Å; Y732-E734 VanDerWaalsContact C-N 3.28Å; Y732-E734 PolarHBondContact O-N 3.02Å; E734-R736 VanDerWaalsContact C-N 3.3Å; E734-R736 PolarHBondContact O-N 3.4Å; E734-K743 PolarHBondContact OE2-N 2.81Å; E734-C794 PolarHBondContact O-SG 3.41Å |
| 735 | Q | 90.3 | Very high | 91.6 | Very high | 37 Ų | 37 | 35.4 Ų | 35.4 | 17% | 0.173 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 1 | 176.7 | -63.1 | -58.6 | -33.3 | 0 | 0 | 114.3 | E731 Y732 I733 E793 C794 | E731-Q735 WeakPolarHBondContact O-CG 3.36Å; E731-Q735 PolarHBondContact O-N 3.25Å; Y732-Q735 WeakPolarHBondContact O-CA 3.26Å; Y732-Q735 WeakPolarHBondContact O-CB 3.47Å; Y732-Q735 PolarHBondContact O-N 2.8Å; I733-Q735 PolarHBondContact O-N 3.14Å; Q735-E793 PolarHBondContact O-N 3.17Å; Q735-C794 PolarHBondContact O-N 3.1Å; Q735-C794 PolarHBondContact O-SG 3.34Å |
| 736 | R | 90.5 | Very high | 91.5 | Very high | 73 Ų | 73 | 37.6 Ų | 37.6 | 28% | 0.275 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -100.7 | 143.2 | 179.3 | -56.1 | -59 | -70.8 | 156.1 | 12.1 | 111.3 | Y732 I733 E734 C739 E793 C794 | Y732-R736 HydrophobicContact CD1-CG 4.35Å; Y732-R736 HydrophobicContact CE1-CG 4.05Å; Y732-R736 HydrophobicContact CE2-CG 4.5Å; Y732-R736 WeakPolarHBondContact O-CG 3.36Å; Y732-R736 PolarHBondContact O-N 3.06Å; I733-R736 PolarHBondContact O-N 2.87Å; I733-R736 VanDerWaalsContact O-N 3.08Å; E734-R736 VanDerWaalsContact C-N 3.3Å; E734-R736 PolarHBondContact O-N 3.4Å; R736-C739 PolarHBondContact O-N 3.4Å; R736-E793 VanDerWaalsContact CZ-CD 3.41Å; R736-E793 IonicContact CZ-OE1 3.52Å; R736-E793 IonicContact CZ-OE2 3.62Å; R736-E793 IonicContact NH1-OE1 3.77Å; R736-E793 PolarHBondContact NH1-OE1 3.45Å; R736-E793 IonicContact NH1-OE2 2.76Å; R736-E793 IonicContact NH2-OE1 3.32Å; R736-E793 PolarHBondContact NH2-OE1 2.8Å; R736-E793 IonicContact NH2-OE2 3.7Å; R736-C794 PolarHBondContact O-SG 2.97Å |
| 737 | K | 89 | Confident | 91.5 | Very high | 138 Ų | 138 | 39.8 Ų | 39.8 | 60% | 0.6 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 141.9 | 172.2 | -72.9 | 174.2 | 179.2 | 177.4 | 0 | 110.9 | E793 | K737-E793 HydrophobicContact CD-CB 4.29Å; K737-E793 HydrophobicContact CG-CB 3.94Å |
| 738 | P | 89.8 | Confident | 91.3 | Very high | 89 Ų | 89 | 41.5 Ų | 41.5 | 58% | 0.578 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -92.7 | 26 | 6.6 | 37.5 | -34.6 | 0 | 0 | 0 | 115 | D740 | P738-D740 HydrophobicContact CG-CB 4.07Å; P738-D740 PolarHBondContact O-N 2.7Å |
| 739 | C | 88.2 | Confident | 91.2 | Very high | 39 Ų | 39 | 42.5 Ų | 42.5 | 26% | 0.264 | 24% | 0.236 | S | C | . | . | trans | 59.7 | 34.4 | 177.7 | -35 | 0 | 0 | 0 | 0 | 113.2 | R736 C794 | R736-C739 PolarHBondContact O-N 3.4Å; C739-C794 VanDerWaalsContact CA-SG 3.55Å; C739-C794 HydrophobicContact CB-CB 3.88Å; C739-C794 WeakPolarHBondContact CB-SG 3.48Å; C739-C794 WeakPolarHBondContact SG-CA 3.2Å; C739-C794 WeakPolarHBondContact SG-CB 3.4Å; C739-C794 CovalentContact SG-SG 2.02Å; C739-C794 PolarHBondContact SG-SG 3.02Å | ||
| 740 | D | 90.4 | Very high | 91.1 | Very high | 30 Ų | 30 | 47.7 Ų | 47.7 | 16% | 0.16 | 27% | 0.274 | C | S | . | . | trans | -99.5 | 3.6 | -172.2 | 64.3 | -15.8 | 0 | 0 | 0 | 113.7 | K526 K527 R715 P738 | K526-D740 CarbonylContact C-O 3.55Å; K526-D740 VanDerWaalsContact CA-O 3.31Å; K526-D740 WeakPolarHBondContact CA-O 3.34Å; K526-D740 WeakPolarHBondContact CG-O 3.46Å; K527-D740 PolarHBondContact N-O 2.7Å; R715-D740 VanDerWaalsContact CD-OD2 3.28Å; R715-D740 WeakPolarHBondContact CD-OD2 3.33Å; R715-D740 WeakPolarHBondContact CG-OD2 3.45Å; R715-D740 IonicContact CZ-OD1 3.19Å; R715-D740 IonicContact NE-OD1 2.7Å; R715-D740 PolarHBondContact NE-OD1 3.16Å; R715-D740 IonicContact NE-OD2 3.74Å; R715-D740 PolarHBondContact NE-OD2 2.72Å; R715-D740 IonicContact NH2-OD1 2.59Å; R715-D740 PolarHBondContact NH2-OD1 3.32Å; P738-D740 HydrophobicContact CG-CB 4.07Å; P738-D740 PolarHBondContact O-N 2.7Å | ||
| 741 | T | 92 | Very high | 91 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 153.1 | 175.7 | 55.8 | 0 | 0 | 0 | 0 | 109.9 | M524 I525 R715 I733 | M524-T741 HydrophobicContact CG-CG2 4.17Å; M524-T741 HydrophobicContact SD-CG2 3.92Å; I525-T741 WeakPolarHBondContact O-CA 3.36Å; R715-T741 HydrophobicContact CG-CG2 4.35Å; I733-T741 HydrophobicContact CG2-CG2 4.1Å |
| 742 | M | 90.1 | Very high | 91 | Very high | 42 Ų | 42 | 48 Ų | 48 | 21% | 0.207 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 147.6 | 170.9 | 63.1 | 179 | -65 | 0 | 0 | 110.5 | I525 K527 P528 V744 | I525-M742 HydrophobicContact CD1-CG 4.08Å; I525-M742 HydrophobicContact CD1-SD 4.09Å; I525-M742 HydrophobicContact CG1-CG 3.58Å; I525-M742 HydrophobicContact CG1-SD 4.26Å; I525-M742 PolarHBondContact N-O 2.78Å; I525-M742 VanDerWaalsContact N-O 3.15Å; I525-M742 PolarHBondContact O-N 3.22Å; K527-M742 HydrophobicContact CB-CB 4.42Å; K527-M742 HydrophobicContact CB-CG 4.35Å; K527-M742 HydrophobicContact CB-SD 4.44Å; K527-M742 HydrophobicContact CG-SD 4.27Å; P528-M742 VanDerWaalsContact CD-SD 3.58Å; M742-V744 HydrophobicContact CE-CG1 3.75Å; M742-V744 HydrophobicContact CG-CG1 4.27Å; M742-V744 HydrophobicContact SD-CG1 4.34Å |
| 743 | K | 91.9 | Very high | 91.2 | Very high | 55 Ų | 55 | 47.1 Ų | 47.1 | 24% | 0.239 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 130.7 | 166.8 | -178.8 | -179.2 | 178.3 | -170.6 | 0 | 109.7 | I523 E731 E734 N747 | I523-K743 WeakPolarHBondContact O-CA 3.46Å; E731-K743 HydrophobicContact CG-CD 4.26Å; E731-K743 IonicContact OE1-NZ 2.67Å; E731-K743 PolarHBondContact OE1-NZ 3.08Å; E734-K743 PolarHBondContact OE2-N 2.81Å; K743-N747 WeakPolarHBondContact CE-OD1 3.44Å; K743-N747 PolarHBondContact NZ-OD1 3.42Å |
| 744 | V | 91.1 | Very high | 91.3 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 143.7 | 171.8 | -67.2 | 0 | 0 | 0 | 0 | 111.4 | I523 I525 I654 M742 | I523-V744 HydrophobicContact CB-CG2 3.67Å; I523-V744 HydrophobicContact CG2-CG2 3.65Å; I523-V744 PolarHBondContact O-N 3.46Å; I523-V744 VanDerWaalsContact O-N 3.08Å; I525-V744 HydrophobicContact CD1-CG1 3.44Å; I525-V744 VanDerWaalsContact CD1-CG1 3.44Å; I525-V744 HydrophobicContact CD1-CG2 4.3Å; I525-V744 HydrophobicContact CG1-CG1 3.75Å; I525-V744 HydrophobicContact CG1-CG2 4.25Å; I525-V744 HydrophobicContact CG2-CG2 4.06Å; I654-V744 HydrophobicContact CG2-CG2 4.2Å; M742-V744 HydrophobicContact CE-CG1 3.75Å; M742-V744 HydrophobicContact CG-CG1 4.27Å; M742-V744 HydrophobicContact SD-CG1 4.34Å |
| 745 | G | 88.6 | Confident | 91.5 | Very high | 40 Ų | 40 | 43.2 Ų | 43.2 | 41% | 0.412 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 70.8 | 177.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E655 | E655-G745 WeakPolarHBondContact O-CA 3.37Å; E655-G745 PolarHBondContact O-N 2.94Å |
| 746 | G | 90.8 | Very high | 91.9 | Very high | 56 Ų | 56 | 41.5 Ų | 41.5 | 58% | 0.577 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -73.2 | 173.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 747 | N | 93 | Very high | 92.1 | Very high | 69 Ų | 69 | 38.1 Ų | 38.1 | 37% | 0.369 | 23% | 0.234 | S | C | . | . | trans | -70.2 | 140.5 | 170 | -64.6 | -9.1 | 0 | 0 | 0 | 109.7 | G520 I521 S727 K743 D749 | G520-N747 PolarHBondContact N-ND2 3.25Å; I521-N747 CarbonylContact O-C 3.47Å; I521-N747 WeakPolarHBondContact O-CA 3.15Å; S727-N747 WeakPolarHBondContact CB-OD1 3.49Å; K743-N747 WeakPolarHBondContact CE-OD1 3.44Å; K743-N747 PolarHBondContact NZ-OD1 3.42Å; N747-D749 VanDerWaalsContact C-N 3.33Å | ||
| 748 | L | 90.8 | Very high | 92.4 | Very high | 39 Ų | 39 | 33 Ų | 33 | 20% | 0.204 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -77.9 | -20.7 | -178.5 | -56.3 | 176.5 | 0 | 0 | 0 | 113.3 | I521 A657 F680 F688 | I521-L748 HydrophobicContact CB-CB 4.22Å; I521-L748 HydrophobicContact CB-CD1 4.29Å; I521-L748 HydrophobicContact CB-CG 4.49Å; I521-L748 HydrophobicContact CG2-CD1 3.86Å; I521-L748 PolarHBondContact O-N 3.02Å; A657-L748 HydrophobicContact CB-CD1 3.98Å; A657-L748 HydrophobicContact CB-CD2 3.38Å; A657-L748 HydrophobicContact CB-CG 4.33Å; F680-L748 HydrophobicContact CZ-CD1 4.24Å; F688-L748 HydrophobicContact CE1-CB 4.36Å; F688-L748 HydrophobicContact CE1-CD1 4.27Å; F688-L748 HydrophobicContact CE1-CD2 4.26Å; F688-L748 HydrophobicContact CZ-CB 3.99Å; F688-L748 HydrophobicContact CZ-CD2 4.41Å |
| 749 | D | 90.5 | Very high | 92.4 | Very high | 23 Ų | 23 | 35.1 Ų | 35.1 | 12% | 0.123 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -145.4 | 174.6 | 178.4 | 63.5 | 1.9 | 0 | 0 | 0 | 110.9 | G520 I521 F679 N747 K751 | G520-D749 WeakPolarHBondContact CA-O 3.27Å; G520-D749 WeakPolarHBondContact CA-OD1 3.37Å; I521-D749 VanDerWaalsContact CD1-OD2 3.31Å; I521-D749 WeakPolarHBondContact CD1-OD2 3.31Å; I521-D749 PolarHBondContact N-OD1 2.88Å; F679-D749 HydrophobicContact CE2-CB 4.2Å; F679-D749 HydrophobicContact CZ-CB 4.23Å; N747-D749 VanDerWaalsContact C-N 3.33Å; D749-K751 WeakPolarHBondContact OD2-CD 3.36Å; D749-K751 WeakPolarHBondContact OD2-CE 3.42Å; D749-K751 IonicContact OD2-NZ 3.6Å; D749-K751 PolarHBondContact OD2-NZ 3.36Å |
| 750 | S | 90.7 | Very high | 92.3 | Very high | 127 Ų | 127 | 36.5 Ų | 36.5 | 89% | 0.888 | 24% | 0.237 | S | C | * | . | trans | -118 | 106.6 | 174.5 | -65.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 751 | K | 91.3 | Very high | 92.2 | Very high | 34 Ų | 34 | 36.5 Ų | 36.5 | 15% | 0.148 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 170.8 | -179.4 | -79.2 | 168.5 | 167.6 | 153.3 | 0 | 110.1 | T501 L519 D749 | T501-K751 HydrophobicContact CG2-CB 4Å; T501-K751 HydrophobicContact CG2-CD 3.77Å; T501-K751 HydrophobicContact CG2-CG 4.01Å; L519-K751 HydrophobicContact CD1-CB 3.64Å; L519-K751 HydrophobicContact CD1-CD 4.39Å; L519-K751 HydrophobicContact CG-CB 4.19Å; L519-K751 PolarHBondContact N-O 2.93Å; L519-K751 CarbonylContact O-C 3.48Å; L519-K751 WeakPolarHBondContact O-CA 3.39Å; L519-K751 PolarHBondContact O-N 3.05Å; D749-K751 WeakPolarHBondContact OD2-CD 3.36Å; D749-K751 WeakPolarHBondContact OD2-CE 3.42Å; D749-K751 IonicContact OD2-NZ 3.6Å; D749-K751 PolarHBondContact OD2-NZ 3.36Å |
| 752 | G | 94.2 | Very high | 92 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 153.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I502 M517 | I502-G752 PolarHBondContact N-O 3.41Å; M517-G752 WeakPolarHBondContact O-CA 3.49Å |
| 753 | Y | 96.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 137.2 | 166.3 | -61.6 | -40.6 | 0 | 0 | 0 | 110.1 | Y426 P499 L500 P515 F516 M517 L519 E726 T728 | Y426-Y753 HydrophobicContact CE1-CD2 4.45Å; Y426-Y753 AromaticContact CE1-CE2 3.87Å; Y426-Y753 HydrophobicContact CE1-CE2 3.87Å; Y426-Y753 AromaticContact CZ-CE2 3.81Å; Y426-Y753 WeakPolarHBondContact OH-CE2 3.49Å; Y426-Y753 PolarHBondContact OH-OH 3.4Å; P499-Y753 VanDerWaalsContact C-CD1 3.44Å; P499-Y753 HydrophobicContact CB-CD1 4.27Å; P499-Y753 HydrophobicContact CB-CD2 4.14Å; P499-Y753 HydrophobicContact CB-CE1 3.82Å; P499-Y753 HydrophobicContact CB-CE2 3.68Å; P499-Y753 HydrophobicContact CB-CG 4.42Å; P499-Y753 WeakPolarHBondContact O-CE1 3.17Å; L500-Y753 WeakPolarHBondContact O-CA 3.4Å; P515-Y753 CarbonylContact C-O 3.6Å; P515-Y753 WeakPolarHBondContact CA-O 3.46Å; F516-Y753 WeakPolarHBondContact CD1-O 3.44Å; F516-Y753 HydrophobicContact CE2-CD2 4.35Å; F516-Y753 VanDerWaalsContact CZ-CB 3.4Å; F516-Y753 HydrophobicContact CZ-CD2 4.26Å; F516-Y753 HydrophobicContact CZ-CG 4.26Å; F516-Y753 PolarHBondContact N-O 3.27Å; M517-Y753 HydrophobicContact CB-CD2 4.29Å; M517-Y753 PolarHBondContact O-N 3.42Å; M517-Y753 HydrophobicContact SD-CD2 4.3Å; M517-Y753 HydrophobicContact SD-CE2 4.43Å; L519-Y753 HydrophobicContact CD2-CD1 3.56Å; L519-Y753 HydrophobicContact CD2-CD2 3.56Å; L519-Y753 HydrophobicContact CD2-CE1 3.33Å; L519-Y753 HydrophobicContact CD2-CE2 3.32Å; L519-Y753 HydrophobicContact CD2-CG 3.66Å; E726-Y753 WeakPolarHBondContact OE2-CE1 3.43Å; E726-Y753 VanDerWaalsContact OE2-CZ 3.23Å; E726-Y753 PolarHBondContact OE2-OH 2.72Å; T728-Y753 HydrophobicContact CG2-CE2 4.37Å; T728-Y753 PolarHBondContact OG1-OH 3.31Å |
| 754 | G | 95.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -128.7 | 155.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L500 | L500-G754 PolarHBondContact O-N 3.05Š| ||
| 755 | I | 97.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -77.6 | 127.4 | 170.7 | -59 | 177.9 | 0 | 0 | 0 | 107.2 | I453 I495 I497 F512 S513 F516 V767 V771 | I453-I755 HydrophobicContact CD1-CD1 3.89Å; I453-I755 HydrophobicContact CG1-CD1 3.9Å; I495-I755 HydrophobicContact CD1-CG2 3.64Å; I495-I755 HydrophobicContact CG1-CG2 3.63Å; I497-I755 HydrophobicContact CG1-CD1 4.49Å; I497-I755 HydrophobicContact CG1-CG2 3.95Å; F512-I755 CarbonylContact C-O 3.48Å; F512-I755 WeakPolarHBondContact CA-O 3.42Å; S513-I755 PolarHBondContact N-O 3.32Å; S513-I755 PolarHBondContact OG-N 3.43Å; F516-I755 HydrophobicContact CD1-CG1 4.12Å; F516-I755 HydrophobicContact CE1-CG1 4.29Å; I755-V767 HydrophobicContact CB-CG1 3.98Å; I755-V767 HydrophobicContact CD1-CG1 3.75Å; I755-V767 HydrophobicContact CG1-CG1 4.46Å; I755-V767 HydrophobicContact CG2-CG1 3.79Å; I755-V771 HydrophobicContact CD1-CG2 3.6Å; I755-V771 HydrophobicContact CG1-CG2 4.36Å | ||
| 756 | A | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 139.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L488 I495 A496 L500 I510 D511 F512 | L488-A756 HydrophobicContact CD1-CB 3.55Å; I495-A756 WeakPolarHBondContact CA-O 3.28Å; I495-A756 WeakPolarHBondContact CG1-O 3.42Å; A496-A756 HydrophobicContact CB-CB 4.24Å; A496-A756 PolarHBondContact N-O 2.76Å; A496-A756 PolarHBondContact O-N 3.37Å; A496-A756 VanDerWaalsContact O-N 3.15Å; L500-A756 HydrophobicContact CD2-CB 3.81Å; I510-A756 HydrophobicContact CD1-CB 3.79Å; D511-A756 WeakPolarHBondContact O-CA 3.37Å; F512-A756 HydrophobicContact CD1-CB 4Å; F512-A756 HydrophobicContact CE1-CB 3.81Å; F512-A756 HydrophobicContact CZ-CB 4.22Å |
| 757 | T | 96.2 | Very high | 92.1 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 153.5 | 174.9 | 53.8 | 0 | 0 | 0 | 0 | 109.7 | I495 D511 L763 | I495-T757 HydrophobicContact CD1-CG2 4.23Å; I495-T757 HydrophobicContact CG1-CG2 3.96Å; D511-T757 PolarHBondContact N-O 2.94Å; D511-T757 PolarHBondContact O-N 3.34Å; D511-T757 PolarHBondContact O-OG1 3.4Å; T757-L763 HydrophobicContact CG2-CB 4.37Å |
| 758 | P | 94 | Very high | 92.2 | Very high | 31 Ų | 31 | 42.6 Ų | 42.6 | 20% | 0.201 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 143.1 | 168.7 | -23 | 34.2 | 0 | 0 | 0 | 110 | L488 D494 G760 S761 | L488-P758 HydrophobicContact CB-CG 4.36Å; L488-P758 HydrophobicContact CD2-CG 4.26Å; D494-P758 WeakPolarHBondContact O-CD 3.5Å; P758-G760 PolarHBondContact O-N 2.9Å; P758-S761 WeakPolarHBondContact O-CB 3.35Å; P758-S761 PolarHBondContact O-N 2.92Å |
| 759 | K | 90.2 | Very high | 92.4 | Very high | 133 Ų | 133 | 46.3 Ų | 46.3 | 58% | 0.578 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 129.4 | -176.9 | -164 | 172 | -168.5 | 170.9 | 0 | 110.8 | E508 S761 | E508-K759 PolarHBondContact O-NZ 2.9Å; K759-S761 VanDerWaalsContact C-N 3.3Å; K759-S761 PolarHBondContact O-N 3.23Å |
| 760 | G | 86.5 | Confident | 92.6 | Very high | 69 Ų | 69 | 45.5 Ų | 45.5 | 71% | 0.711 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 10.8 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | D511 P758 | D511-G760 PolarHBondContact OD2-N 2.87Å; D511-G760 VanDerWaalsContact OD2-N 3.09Å; P758-G760 PolarHBondContact O-N 2.9Å |
| 761 | S | 88.1 | Confident | 92.8 | Very high | 30 Ų | 30 | 39.6 Ų | 39.6 | 21% | 0.21 | 23% | 0.233 | C | C | . | . | trans | -64.6 | 138.3 | 175.5 | 179.4 | 0 | 0 | 0 | 0 | 112.2 | P758 K759 L763 R764 | P758-S761 WeakPolarHBondContact O-CB 3.35Å; P758-S761 PolarHBondContact O-N 2.92Å; K759-S761 VanDerWaalsContact C-N 3.3Å; K759-S761 PolarHBondContact O-N 3.23Å; S761-L763 PolarHBondContact O-N 3.31Å; S761-L763 PolarHBondContact OG-N 2.89Å; S761-R764 WeakPolarHBondContact O-CB 3.18Å; S761-R764 PolarHBondContact O-N 3.29Å | ||
| 762 | S | 87.8 | Confident | 93 | Very high | 98 Ų | 98 | 41 Ų | 41 | 69% | 0.685 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -22.6 | 174.7 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | R764 | S762-R764 VanDerWaalsContact C-N 3.27Å; S762-R764 PolarHBondContact O-N 3.46Å |
| 763 | L | 88.7 | Confident | 93 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.4 | -24.3 | 178.2 | -67.5 | 174.4 | 0 | 0 | 0 | 112.8 | L411 V416 F459 T757 S761 N765 A766 V767 | L411-L763 HydrophobicContact CD1-CD2 4.15Å; L411-L763 HydrophobicContact CD2-CD2 4.19Å; V416-L763 HydrophobicContact CG1-CD1 4.11Å; V416-L763 HydrophobicContact CG2-CD1 4.5Å; F459-L763 HydrophobicContact CD1-CD2 4.46Å; T757-L763 HydrophobicContact CG2-CB 4.37Å; S761-L763 PolarHBondContact O-N 3.31Å; S761-L763 PolarHBondContact OG-N 2.89Å; L763-N765 PolarHBondContact O-N 3.35Å; L763-A766 PolarHBondContact O-N 3.31Å; L763-V767 HydrophobicContact CB-CG2 4.38Å; L763-V767 WeakPolarHBondContact O-CB 3.35Å; L763-V767 VanDerWaalsContact O-CG2 3.22Å; L763-V767 WeakPolarHBondContact O-CG2 3.36Å; L763-V767 PolarHBondContact O-N 2.94Å |
| 764 | R | 89 | Confident | 93 | Very high | 96 Ų | 96 | 45.5 Ų | 45.5 | 36% | 0.362 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -54 | -52.6 | -172.3 | 179.3 | -171.3 | 171.5 | 178.7 | -6.6 | 112.3 | D511 S761 S762 N768 | D511-R764 HydrophobicContact CB-CG 4.32Å; D511-R764 IonicContact OD1-NH1 3.95Å; D511-R764 PolarHBondContact OD1-NH1 3.35Å; D511-R764 WeakPolarHBondContact OD2-CD 3.44Å; D511-R764 IonicContact OD2-CZ 3.41Å; D511-R764 IonicContact OD2-NE 3.43Å; D511-R764 IonicContact OD2-NH1 2.67Å; D511-R764 PolarHBondContact OD2-NH1 2.85Å; S761-R764 WeakPolarHBondContact O-CB 3.18Å; S761-R764 PolarHBondContact O-N 3.29Å; S762-R764 VanDerWaalsContact C-N 3.27Å; S762-R764 PolarHBondContact O-N 3.46Å; R764-N768 WeakPolarHBondContact O-CB 3.48Å; R764-N768 PolarHBondContact O-N 3.3Å |
| 765 | N | 91.2 | Very high | 92.9 | Very high | 114 Ų | 114 | 49.5 Ų | 49.5 | 61% | 0.61 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -67.5 | -43.2 | -174.8 | -72 | -16.5 | 0 | 0 | 0 | 111.6 | L763 N768 L769 | L763-N765 PolarHBondContact O-N 3.35Å; N765-N768 PolarHBondContact O-N 3.29Å; N765-L769 WeakPolarHBondContact O-CG 3.18Å; N765-L769 PolarHBondContact O-N 3.36Å |
| 766 | A | 92.1 | Very high | 92.8 | Very high | 42 Ų | 42 | 57.3 Ų | 57.3 | 35% | 0.347 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L763 L769 A770 | L763-A766 PolarHBondContact O-N 3.31Å; A766-L769 PolarHBondContact O-N 3.47Å; A766-A770 WeakPolarHBondContact O-CB 3.41Å; A766-A770 PolarHBondContact O-N 3.42Å |
| 767 | V | 94.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | I453 I495 I755 L763 L769 A770 V771 | I453-V767 HydrophobicContact CG2-CG1 4.43Å; I453-V767 HydrophobicContact CG2-CG2 4.1Å; I495-V767 HydrophobicContact CD1-CG1 4.38Å; I495-V767 HydrophobicContact CD1-CG2 3.77Å; I755-V767 HydrophobicContact CB-CG1 3.98Å; I755-V767 HydrophobicContact CD1-CG1 3.75Å; I755-V767 HydrophobicContact CG1-CG1 4.46Å; I755-V767 HydrophobicContact CG2-CG1 3.79Å; L763-V767 HydrophobicContact CB-CG2 4.38Å; L763-V767 WeakPolarHBondContact O-CB 3.35Å; L763-V767 VanDerWaalsContact O-CG2 3.22Å; L763-V767 WeakPolarHBondContact O-CG2 3.36Å; L763-V767 PolarHBondContact O-N 2.94Å; V767-L769 PolarHBondContact O-N 3.31Å; V767-A770 PolarHBondContact O-N 3.44Å; V767-V771 HydrophobicContact CG1-CG2 4.38Å; V767-V771 WeakPolarHBondContact O-CG2 3.45Å; V767-V771 PolarHBondContact O-N 2.97Å |
| 768 | N | 94.4 | Very high | 92.6 | Very high | 36 Ų | 36 | 64.2 Ų | 64.2 | 19% | 0.193 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 179.2 | -172.1 | 56.6 | 0 | 0 | 0 | 112.5 | K514 R764 N765 L772 | K514-N768 WeakPolarHBondContact CG-OD1 3.1Å; K514-N768 PolarHBondContact N-OD1 3.49Å; R764-N768 WeakPolarHBondContact O-CB 3.48Å; R764-N768 PolarHBondContact O-N 3.3Å; N765-N768 PolarHBondContact O-N 3.29Å; N768-L772 WeakPolarHBondContact O-CG 3.2Å; N768-L772 PolarHBondContact O-N 2.78Å |
| 769 | L | 94.6 | Very high | 92.6 | Very high | 118 Ų | 118 | 64.4 Ų | 64.4 | 62% | 0.618 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -67.5 | -38.8 | 174.1 | -68.8 | 174.8 | 0 | 0 | 0 | 112 | N765 A766 V767 L772 K773 | N765-L769 WeakPolarHBondContact O-CG 3.18Å; N765-L769 PolarHBondContact O-N 3.36Å; A766-L769 PolarHBondContact O-N 3.47Å; V767-L769 PolarHBondContact O-N 3.31Å; L769-L772 PolarHBondContact O-N 2.89Å; L769-K773 PolarHBondContact O-N 3.43Å |
| 770 | A | 94.9 | Very high | 92.8 | Very high | 6 Ų | 6 | 58.3 Ų | 58.3 | 5% | 0.05 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I453 H456 A766 V767 L772 K773 L774 | I453-A770 HydrophobicContact CD1-CB 3.9Å; H456-A770 HydrophobicContact CB-CB 3.92Å; A766-A770 WeakPolarHBondContact O-CB 3.41Å; A766-A770 PolarHBondContact O-N 3.42Å; V767-A770 PolarHBondContact O-N 3.44Å; A770-L772 VanDerWaalsContact C-N 3.33Å; A770-L772 PolarHBondContact O-N 3.46Å; A770-K773 PolarHBondContact O-N 3.18Å; A770-K773 VanDerWaalsContact O-N 3.17Å; A770-L774 VanDerWaalsContact O-CG 3.29Å; A770-L774 WeakPolarHBondContact O-CG 3.29Å; A770-L774 PolarHBondContact O-N 2.98Å |
| 771 | V | 95.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.012 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.3 | -43.6 | 177.4 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | I453 F516 I755 V767 L774 N775 | I453-V771 HydrophobicContact CD1-CG2 3.89Å; F516-V771 HydrophobicContact CB-CG1 3.9Å; I755-V771 HydrophobicContact CD1-CG2 3.6Å; I755-V771 HydrophobicContact CG1-CG2 4.36Å; V767-V771 HydrophobicContact CG1-CG2 4.38Å; V767-V771 WeakPolarHBondContact O-CG2 3.45Å; V767-V771 PolarHBondContact O-N 2.97Å; V771-L774 PolarHBondContact O-N 3.29Å; V771-N775 WeakPolarHBondContact O-CB 3.42Å; V771-N775 PolarHBondContact O-N 3.18Å |
| 772 | L | 95.2 | Very high | 93.5 | Very high | 64 Ų | 64 | 65.1 Ų | 65.1 | 34% | 0.335 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 176.6 | -70.5 | 173.7 | 0 | 0 | 0 | 111.8 | K514 N768 L769 A770 L774 N775 E776 | K514-L772 HydrophobicContact CB-CD2 4.25Å; K514-L772 HydrophobicContact CG-CD2 4.13Å; K514-L772 HydrophobicContact CG-CG 4.48Å; N768-L772 WeakPolarHBondContact O-CG 3.2Å; N768-L772 PolarHBondContact O-N 2.78Å; L769-L772 PolarHBondContact O-N 2.89Å; A770-L772 VanDerWaalsContact C-N 3.33Å; A770-L772 PolarHBondContact O-N 3.46Å; L772-L774 PolarHBondContact O-N 3.38Å; L772-N775 WeakPolarHBondContact O-CB 3.33Å; L772-N775 PolarHBondContact O-N 2.95Å; L772-E776 WeakPolarHBondContact O-CG 3.49Å; L772-E776 PolarHBondContact O-N 3.02Å |
| 773 | K | 95.2 | Very high | 93.8 | Very high | 102 Ų | 102 | 61.1 Ų | 61.1 | 44% | 0.443 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 177.4 | -172.8 | 168.9 | -177.5 | 175.6 | 0 | 112.5 | L769 A770 N775 E776 Q777 | L769-K773 PolarHBondContact O-N 3.43Å; A770-K773 PolarHBondContact O-N 3.18Å; A770-K773 VanDerWaalsContact O-N 3.17Å; K773-N775 VanDerWaalsContact C-N 3.27Å; K773-N775 PolarHBondContact O-N 2.95Å; K773-E776 PolarHBondContact O-N 3.18Å; K773-Q777 WeakPolarHBondContact O-CB 3.36Å; K773-Q777 VanDerWaalsContact O-CG 3.26Å; K773-Q777 WeakPolarHBondContact O-CG 3.42Å; K773-Q777 PolarHBondContact O-N 2.85Å |
| 774 | L | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.9 | -33.5 | 176.3 | -65.8 | -178.6 | 0 | 0 | 0 | 112.2 | L449 E452 I453 A770 V771 L772 L779 L780 | L449-L774 HydrophobicContact CD1-CD1 3.89Å; E452-L774 HydrophobicContact CB-CD1 4.04Å; E452-L774 HydrophobicContact CB-CD2 4.16Å; I453-L774 HydrophobicContact CD1-CD1 3.77Å; I453-L774 HydrophobicContact CG1-CD1 4.35Å; A770-L774 VanDerWaalsContact O-CG 3.29Å; A770-L774 WeakPolarHBondContact O-CG 3.29Å; A770-L774 PolarHBondContact O-N 2.98Å; V771-L774 PolarHBondContact O-N 3.29Å; L772-L774 PolarHBondContact O-N 3.38Å; L774-L779 HydrophobicContact CD2-CB 4.46Å; L774-L779 HydrophobicContact CD2-CD2 3.64Å; L774-L779 PolarHBondContact O-N 3.39Å; L774-L780 HydrophobicContact CB-CD1 4.5Å; L774-L780 HydrophobicContact CB-CD2 4.08Å; L774-L780 HydrophobicContact CB-CG 4.03Å; L774-L780 HydrophobicContact CD1-CD2 4.49Å; L774-L780 PolarHBondContact O-N 3.12Å |
| 775 | N | 93.8 | Very high | 94.2 | Very high | 85 Ų | 85 | 61.8 Ų | 61.8 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.4 | -49.4 | 175.2 | -166.4 | 35.2 | 0 | 0 | 0 | 111.6 | V771 L772 K773 Q777 G778 L780 | V771-N775 WeakPolarHBondContact O-CB 3.42Å; V771-N775 PolarHBondContact O-N 3.18Å; L772-N775 WeakPolarHBondContact O-CB 3.33Å; L772-N775 PolarHBondContact O-N 2.95Å; K773-N775 VanDerWaalsContact C-N 3.27Å; K773-N775 PolarHBondContact O-N 2.95Å; N775-Q777 VanDerWaalsContact C-N 3.26Å; N775-Q777 PolarHBondContact O-N 2.83Å; N775-G778 PolarHBondContact O-N 3.16Å; N775-L780 HydrophobicContact CB-CD1 3.8Å |
| 776 | E | 94.8 | Very high | 94.4 | Very high | 164 Ų | 164 | 60.1 Ų | 60.1 | 77% | 0.766 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.9 | -33.5 | 178.8 | -73.1 | 174.2 | -176.8 | 0 | 0 | 113 | L772 K773 G778 | L772-E776 WeakPolarHBondContact O-CG 3.49Å; L772-E776 PolarHBondContact O-N 3.02Å; K773-E776 PolarHBondContact O-N 3.18Å; E776-G778 VanDerWaalsContact C-N 3.25Å; E776-G778 PolarHBondContact O-N 2.95Å |
| 777 | Q | 94.8 | Very high | 94.5 | Very high | 118 Ų | 118 | 58.5 Ų | 58.5 | 55% | 0.551 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -5.2 | 176.6 | -70 | 179.4 | -10.9 | 0 | 0 | 113.8 | K773 N775 L779 | K773-Q777 WeakPolarHBondContact O-CB 3.36Å; K773-Q777 VanDerWaalsContact O-CG 3.26Å; K773-Q777 WeakPolarHBondContact O-CG 3.42Å; K773-Q777 PolarHBondContact O-N 2.85Å; N775-Q777 VanDerWaalsContact C-N 3.26Å; N775-Q777 PolarHBondContact O-N 2.83Å; Q777-L779 PolarHBondContact O-N 3.34Å |
| 778 | G | 93.9 | Very high | 94.4 | Very high | 28 Ų | 28 | 58.5 Ų | 58.5 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 16.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N775 E776 K782 | N775-G778 PolarHBondContact O-N 3.16Å; E776-G778 VanDerWaalsContact C-N 3.25Å; E776-G778 PolarHBondContact O-N 2.95Å; G778-K782 PolarHBondContact O-N 2.99Å; G778-K782 VanDerWaalsContact O-N 3.09Å |
| 779 | L | 94.3 | Very high | 94.2 | Very high | 35 Ų | 35 | 61.6 Ų | 61.6 | 18% | 0.183 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.8 | -36.1 | -179.4 | -163.9 | 74 | 0 | 0 | 0 | 111.2 | E452 L774 Q777 D781 K782 L783 | E452-L779 HydrophobicContact CB-CD2 4.3Å; E452-L779 HydrophobicContact CG-CD2 3.6Å; L774-L779 HydrophobicContact CD2-CB 4.46Å; L774-L779 HydrophobicContact CD2-CD2 3.64Å; L774-L779 PolarHBondContact O-N 3.39Å; Q777-L779 PolarHBondContact O-N 3.34Å; L779-D781 VanDerWaalsContact C-N 3.34Å; L779-D781 PolarHBondContact O-N 3.03Å; L779-K782 HydrophobicContact CD1-CD 4.29Å; L779-K782 WeakPolarHBondContact O-CB 3.37Å; L779-K782 PolarHBondContact O-N 3.47Å; L779-L783 WeakPolarHBondContact O-CB 3.14Å; L779-L783 WeakPolarHBondContact O-CG 3.38Å; L779-L783 PolarHBondContact O-N 3.09Å |
| 780 | L | 94.4 | Very high | 94 | Very high | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 175.9 | -61.7 | 179.5 | 0 | 0 | 0 | 111.6 | L449 F516 L774 N775 L783 K784 | L449-L780 HydrophobicContact CD1-CD2 3.84Å; F516-L780 HydrophobicContact CB-CD1 3.98Å; L774-L780 HydrophobicContact CB-CD1 4.5Å; L774-L780 HydrophobicContact CB-CD2 4.08Å; L774-L780 HydrophobicContact CB-CG 4.03Å; L774-L780 HydrophobicContact CD1-CD2 4.49Å; L774-L780 PolarHBondContact O-N 3.12Å; N775-L780 HydrophobicContact CB-CD1 3.8Å; L780-L783 PolarHBondContact O-N 3.39Å; L780-K784 WeakPolarHBondContact O-CB 3.42Å; L780-K784 PolarHBondContact O-N 2.7Å |
| 781 | D | 93.1 | Very high | 93.5 | Very high | 97 Ų | 97 | 66.1 Ų | 66.1 | 52% | 0.519 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 175.5 | -69.9 | -32.5 | 0 | 0 | 0 | 111.8 | L779 L783 K784 N785 | L779-D781 VanDerWaalsContact C-N 3.34Å; L779-D781 PolarHBondContact O-N 3.03Å; D781-L783 VanDerWaalsContact C-N 3.34Å; D781-L783 PolarHBondContact O-N 3Å; D781-K784 PolarHBondContact O-N 3.26Å; D781-N785 PolarHBondContact O-N 3.33Å; D781-N785 PolarHBondContact O-ND2 3.02Å |
| 782 | K | 95.3 | Very high | 92.9 | Very high | 146 Ų | 146 | 67.2 Ų | 67.2 | 64% | 0.635 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.6 | -44.2 | 173.9 | -174.2 | 179.8 | -179.4 | 179.2 | 0 | 111.8 | G778 L779 N785 K786 | G778-K782 PolarHBondContact O-N 2.99Å; G778-K782 VanDerWaalsContact O-N 3.09Å; L779-K782 HydrophobicContact CD1-CD 4.29Å; L779-K782 WeakPolarHBondContact O-CB 3.37Å; L779-K782 PolarHBondContact O-N 3.47Å; K782-N785 PolarHBondContact O-N 3.04Å; K782-K786 WeakPolarHBondContact O-CB 3.36Å; K782-K786 PolarHBondContact O-N 3.31Å |
| 783 | L | 95 | Very high | 92.5 | Very high | 14 Ų | 14 | 68 Ų | 68 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 177.1 | -71.9 | 176.8 | 0 | 0 | 0 | 111.8 | Y445 D448 L779 L780 D781 K786 W787 | Y445-L783 HydrophobicContact CD2-CB 3.86Å; Y445-L783 HydrophobicContact CE2-CB 3.56Å; D448-L783 HydrophobicContact CB-CD1 4.33Å; D448-L783 HydrophobicContact CB-CD2 3.73Å; L779-L783 WeakPolarHBondContact O-CB 3.14Å; L779-L783 WeakPolarHBondContact O-CG 3.38Å; L779-L783 PolarHBondContact O-N 3.09Å; L780-L783 PolarHBondContact O-N 3.39Å; D781-L783 VanDerWaalsContact C-N 3.34Å; D781-L783 PolarHBondContact O-N 3Å; L783-K786 HydrophobicContact CD2-CD 4.47Å; L783-K786 PolarHBondContact O-N 2.88Å; L783-W787 VanDerWaalsContact O-CD1 3.26Å; L783-W787 PolarHBondContact O-N 3.04Å; L783-W787 VanDerWaalsContact O-N 3.16Å |
| 784 | K | 93.7 | Very high | 91.7 | Very high | 48 Ų | 48 | 63.6 Ų | 63.6 | 21% | 0.209 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.1 | -47.8 | 175.3 | -175.5 | -178.7 | 175.5 | -175.7 | 0 | 110.4 | Y445 M517 L780 D781 K786 W787 W788 | Y445-K784 HydrophobicContact CE2-CB 4.4Å; M517-K784 HydrophobicContact CE-CB 4.41Å; M517-K784 HydrophobicContact CE-CD 4.38Å; M517-K784 HydrophobicContact CE-CG 4.24Å; L780-K784 WeakPolarHBondContact O-CB 3.42Å; L780-K784 PolarHBondContact O-N 2.7Å; D781-K784 PolarHBondContact O-N 3.26Å; K784-K786 VanDerWaalsContact C-N 3.35Å; K784-K786 PolarHBondContact O-N 2.88Å; K784-W787 PolarHBondContact O-N 3.38Å; K784-W788 HydrophobicContact CG-CD2 4.4Å; K784-W788 HydrophobicContact CG-CE3 4.14Å; K784-W788 WeakPolarHBondContact O-CB 3.37Å; K784-W788 PolarHBondContact O-N 3.09Å |
| 785 | N | 92.9 | Very high | 90.2 | Very high | 73 Ų | 73 | 65.6 Ų | 65.6 | 39% | 0.39 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 178.4 | -70.3 | -18.6 | 0 | 0 | 0 | 112.2 | D781 K782 W787 Y789 D790 | D781-N785 PolarHBondContact O-N 3.33Å; D781-N785 PolarHBondContact O-ND2 3.02Å; K782-N785 PolarHBondContact O-N 3.04Å; N785-W787 VanDerWaalsContact C-N 3.34Å; N785-W787 PolarHBondContact O-N 3.08Å; N785-Y789 HydrophobicContact CB-CD2 4.43Å; N785-Y789 PolarHBondContact O-N 3.45Å; N785-Y789 WeakPolarHBondContact OD1-CD2 3.26Å; N785-D790 PolarHBondContact O-N 3.12Å |
| 786 | K | 94.5 | Very high | 88.2 | Confident | 78 Ų | 78 | 67.6 Ų | 67.6 | 34% | 0.339 | 36% | 0.357 | S | S | . | . | I | π-helix | trans | -54.2 | -46.6 | 176.6 | -179.7 | -174.9 | 176.2 | -169.3 | 0 | 113.1 | D448 K782 L783 K784 D790 K791 | D448-K786 IonicContact OD1-NZ 3.4Å; D448-K786 IonicContact OD2-NZ 3.75Å; D448-K786 PolarHBondContact OD2-NZ 3.29Å; K782-K786 WeakPolarHBondContact O-CB 3.36Å; K782-K786 PolarHBondContact O-N 3.31Å; L783-K786 HydrophobicContact CD2-CD 4.47Å; L783-K786 PolarHBondContact O-N 2.88Å; K784-K786 VanDerWaalsContact C-N 3.35Å; K784-K786 PolarHBondContact O-N 2.88Å; K786-D790 WeakPolarHBondContact CA-OD2 3.48Å; K786-K791 WeakPolarHBondContact O-CG 3.09Å; K786-K791 PolarHBondContact O-N 3.28Å |
| 787 | W | 94.5 | Very high | 86.1 | Confident | 9 Ų | 9 | 63.6 Ų | 63.6 | 3% | 0.034 | 36% | 0.36 | C | S | . | . | I | π-helix | trans | -92.5 | -20.5 | -171.2 | -72 | 106.1 | 0 | 0 | 0 | 114.5 | P425 M428 E443 G444 D448 L783 K784 N785 K791 | P425-W787 HydrophobicContact CB-CB 4.25Å; P425-W787 HydrophobicContact CB-CE3 4.5Å; P425-W787 HydrophobicContact CG-CB 4.46Å; M428-W787 HydrophobicContact CE-CE3 3.97Å; M428-W787 HydrophobicContact CE-CZ3 3.53Å; E443-W787 HydrophobicContact CB-CH2 4.08Å; E443-W787 HydrophobicContact CG-CH2 4.36Å; G444-W787 VanDerWaalsContact CA-CH2 3.45Å; G444-W787 VanDerWaalsContact CA-CZ2 3.45Å; G444-W787 VanDerWaalsContact N-CH2 3.28Å; D448-W787 PolarHBondContact OD2-NE1 3.21Å; L783-W787 VanDerWaalsContact O-CD1 3.26Å; L783-W787 PolarHBondContact O-N 3.04Å; L783-W787 VanDerWaalsContact O-N 3.16Å; K784-W787 PolarHBondContact O-N 3.38Å; N785-W787 VanDerWaalsContact C-N 3.34Å; N785-W787 PolarHBondContact O-N 3.08Å; W787-K791 HydrophobicContact CE3-CD 3.9Å; W787-K791 HydrophobicContact CZ3-CD 3.98Å |
| 788 | W | 92.4 | Very high | 83.7 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 0% | 0.004 | 35% | 0.346 | C | S | . | . | I | π-helix | trans | -101.4 | -46.5 | 178.3 | -83.8 | -107.1 | 0 | 0 | 0 | 113.8 | P425 Y426 Y445 M517 T728 K784 | P425-W788 HydrophobicContact CG-CD2 4.02Å; P425-W788 HydrophobicContact CG-CE3 4.02Å; P425-W788 HydrophobicContact CG-CH2 3.73Å; P425-W788 HydrophobicContact CG-CZ2 3.71Å; P425-W788 HydrophobicContact CG-CZ3 3.89Å; Y426-W788 AromaticContact CD1-CH2 3.98Å; Y426-W788 HydrophobicContact CD1-CH2 3.98Å; Y426-W788 AromaticContact CE1-CH2 3.53Å; Y426-W788 HydrophobicContact CE1-CH2 3.53Å; Y426-W788 AromaticContact CE1-CZ2 3.78Å; Y426-W788 HydrophobicContact CE1-CZ2 3.78Å; Y426-W788 AromaticContact CZ-CZ2 3.88Å; Y445-W788 HydrophobicContact CD2-CH2 4.37Å; Y445-W788 AromaticContact CD2-CZ3 3.63Å; Y445-W788 HydrophobicContact CD2-CZ3 3.63Å; Y445-W788 HydrophobicContact CE2-CZ3 4.36Å; Y445-W788 HydrophobicContact CG-CH2 4.2Å; Y445-W788 AromaticContact CG-CZ3 3.82Å; Y445-W788 HydrophobicContact CG-CZ3 3.82Å; M517-W788 HydrophobicContact CE-CH2 4.01Å; M517-W788 HydrophobicContact CE-CZ3 4.24Å; M517-W788 HydrophobicContact SD-CH2 4.39Å; T728-W788 PolarHBondContact O-NE1 3.36Å; K784-W788 HydrophobicContact CG-CD2 4.4Å; K784-W788 HydrophobicContact CG-CE3 4.14Å; K784-W788 WeakPolarHBondContact O-CB 3.37Å; K784-W788 PolarHBondContact O-N 3.09Å |
| 789 | Y | 89.5 | Confident | 81.3 | Confident | 100 Ų | 100 | 60.9 Ų | 60.9 | 39% | 0.392 | 36% | 0.363 | S | S | . | . | I | π-helix | trans | -105.8 | -45.8 | -169.1 | -54.1 | -59.4 | 0 | 0 | 0 | 112.6 | N785 K791 G792 | N785-Y789 HydrophobicContact CB-CD2 4.43Å; N785-Y789 PolarHBondContact O-N 3.45Å; N785-Y789 WeakPolarHBondContact OD1-CD2 3.26Å; Y789-K791 VanDerWaalsContact C-N 3.3Å; Y789-K791 PolarHBondContact O-N 3.38Å; Y789-G792 WeakPolarHBondContact O-CA 3.3Å; Y789-G792 PolarHBondContact O-N 3.14Å |
| 790 | D | 89.8 | Confident | 79.2 | Confident | 124 Ų | 124 | 63.6 Ų | 63.6 | 66% | 0.663 | 38% | 0.378 | S | S | * | . | I | π-helix | trans | -66.4 | -35.6 | -177.9 | -61.9 | -14.5 | 0 | 0 | 0 | 111.8 | N785 K786 G792 | N785-D790 PolarHBondContact O-N 3.12Å; K786-D790 WeakPolarHBondContact CA-OD2 3.48Å; D790-G792 VanDerWaalsContact C-N 3.31Å |
| 791 | K | 86.3 | Confident | 76.9 | Confident | 96 Ų | 96 | 69 Ų | 69 | 42% | 0.417 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 11.2 | 172 | -70 | -174 | 176 | -173 | 0 | 113.1 | K786 W787 Y789 | K786-K791 WeakPolarHBondContact O-CG 3.09Å; K786-K791 PolarHBondContact O-N 3.28Å; W787-K791 HydrophobicContact CE3-CD 3.9Å; W787-K791 HydrophobicContact CZ3-CD 3.98Å; Y789-K791 VanDerWaalsContact C-N 3.3Å; Y789-K791 PolarHBondContact O-N 3.38Å |
| 792 | G | 81.6 | Confident | 74.8 | Confident | 24 Ų | 24 | 73 Ų | 73 | 25% | 0.247 | 43% | 0.429 | C | S | . | . | trans | -66.2 | 132.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y789 D790 | Y789-G792 WeakPolarHBondContact O-CA 3.3Å; Y789-G792 PolarHBondContact O-N 3.14Å; D790-G792 VanDerWaalsContact C-N 3.31Å | ||
| 793 | E | 86.8 | Confident | 72.6 | Confident | 82 Ų | 82 | 75.2 Ų | 75.2 | 38% | 0.383 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -94 | -12 | -178.3 | -65 | 178.5 | 179.9 | 0 | 0 | 112.8 | Q735 R736 K737 | Q735-E793 PolarHBondContact O-N 3.17Å; R736-E793 VanDerWaalsContact CZ-CD 3.41Å; R736-E793 IonicContact CZ-OE1 3.52Å; R736-E793 IonicContact CZ-OE2 3.62Å; R736-E793 IonicContact NH1-OE1 3.77Å; R736-E793 PolarHBondContact NH1-OE1 3.45Å; R736-E793 IonicContact NH1-OE2 2.76Å; R736-E793 IonicContact NH2-OE1 3.32Å; R736-E793 PolarHBondContact NH2-OE1 2.8Å; R736-E793 IonicContact NH2-OE2 3.7Å; K737-E793 HydrophobicContact CD-CB 4.29Å; K737-E793 HydrophobicContact CG-CB 3.94Å |
| 794 | C | 78.7 | Confident | 70.6 | Confident | 8 Ų | 8 | 83.2 Ų | 83.2 | 5% | 0.054 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -96.4 | 3 | -171.4 | -72.2 | 0 | 0 | 0 | 0 | 115.3 | E734 Q735 R736 C739 G799 | E734-C794 PolarHBondContact O-SG 3.41Å; Q735-C794 PolarHBondContact O-N 3.1Å; Q735-C794 PolarHBondContact O-SG 3.34Å; R736-C794 PolarHBondContact O-SG 2.97Å; C739-C794 VanDerWaalsContact CA-SG 3.55Å; C739-C794 HydrophobicContact CB-CB 3.88Å; C739-C794 WeakPolarHBondContact CB-SG 3.48Å; C739-C794 WeakPolarHBondContact SG-CA 3.2Å; C739-C794 WeakPolarHBondContact SG-CB 3.4Å; C739-C794 CovalentContact SG-SG 2.02Å; C739-C794 PolarHBondContact SG-SG 3.02Å; C794-G799 PolarHBondContact O-N 3.18Å |
| 795 | G | 63.4 | Low | 68.7 | Low | 42 Ų | 42 | 87.3 Ų | 87.3 | 43% | 0.433 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 144.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G797 G798 | G795-G797 PolarHBondContact O-N 3.15Å; G795-G798 PolarHBondContact O-N 3.47Å |
| 796 | S | 53.3 | Low | 67 | Low | 128 Ų | 128 | 88 Ų | 88 | 90% | 0.895 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 106.1 | 169.2 | -79.4 | 0 | 0 | 0 | 0 | 109.4 | ||
| 797 | G | 50.8 | Low | 65.6 | Low | 79 Ų | 79 | 88.7 Ų | 88.7 | 81% | 0.814 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.8 | 17.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116 | G795 | G795-G797 PolarHBondContact O-N 3.15Š|
| 798 | G | 44.7 | Very low | 64.3 | Low | 25 Ų | 25 | 93.2 Ų | 93.2 | 26% | 0.258 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 67 | 72.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G795 D800 | G795-G798 PolarHBondContact O-N 3.47Å; G798-D800 PolarHBondContact O-N 3.34Å |
| 799 | G | 42.1 | Very low | 63.2 | Low | 64 Ų | 64 | 96 Ų | 96 | 66% | 0.66 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56.2 | -4.2 | 157 | 0 | 0 | 0 | 0 | 0 | 120.1 | C794 | C794-G799 PolarHBondContact O-N 3.18Š|
| 800 | D | 49.7 | Very low | 62.7 | Low | 93 Ų | 93 | 97.3 Ų | 97.3 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | trans | -110.1 | 6.8 | -169 | -86.8 | 1.9 | 0 | 0 | 0 | 112.6 | K530 G798 K802 | K530-D800 IonicContact NZ-OD2 2.81Å; K530-D800 PolarHBondContact NZ-OD2 3.3Å; G798-D800 PolarHBondContact O-N 3.34Å; D800-K802 CarbonylContact O-C 3.56Å; D800-K802 PolarHBondContact O-N 2.95Å | ||
| 801 | S | 47.1 | Very low | 62 | Low | 119 Ų | 119 | 93.3 Ų | 93.3 | 83% | 0.832 | 58% | 0.575 | S | S | * | * | trans | -70.8 | 2.1 | 175.9 | 59.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 802 | K | 49.4 | Very low | 61.4 | Low | 181 Ų | 181 | 89.9 Ų | 89.9 | 79% | 0.787 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -105.5 | 103.3 | 158.6 | -74.4 | -172.4 | 176.7 | -175.2 | 0 | 107.3 | D800 K804 | D800-K802 CarbonylContact O-C 3.56Å; D800-K802 PolarHBondContact O-N 2.95Å; K802-K804 VanDerWaalsContact C-N 3.26Å; K802-K804 PolarHBondContact O-N 3.49Å |
| 803 | E | 48.3 | Very low | 61.3 | Low | 191 Ų | 191 | 91 Ų | 91 | 89% | 0.893 | 56% | 0.563 | S | S | * | * | trans | -46.2 | 89.9 | 168 | -69.5 | -178.7 | 157.2 | 0 | 0 | 109.9 | T805 | E803-T805 PolarHBondContact O-N 3.21Å; E803-T805 VanDerWaalsContact O-N 3.17Å | ||
| 804 | K | 52.7 | Low | 61.2 | Low | 183 Ų | 183 | 87.9 Ų | 87.9 | 80% | 0.796 | 55% | 0.551 | S | S | * | * | trans | -75.4 | 103.1 | 161.5 | -72.1 | -178.7 | -178.3 | 174.5 | 0 | 103.9 | K802 S806 | K802-K804 VanDerWaalsContact C-N 3.26Å; K802-K804 PolarHBondContact O-N 3.49Å; K804-S806 PolarHBondContact O-N 3.43Å | ||
| 805 | T | 54.7 | Low | 61.6 | Low | 134 Ų | 134 | 87.5 Ų | 87.5 | 82% | 0.822 | 55% | 0.549 | S | S | * | . | trans | -39.7 | 108.6 | 170.2 | 48.1 | 0 | 0 | 0 | 0 | 108.8 | E803 A807 | E803-T805 PolarHBondContact O-N 3.21Å; E803-T805 VanDerWaalsContact O-N 3.17Å; T805-A807 PolarHBondContact O-N 2.87Å | ||
| 806 | S | 56.3 | Low | 62.8 | Low | 86 Ų | 86 | 88.8 Ų | 88.8 | 60% | 0.601 | 55% | 0.548 | S | S | * | . | trans | -60.9 | 109.3 | -178.2 | -62 | 0 | 0 | 0 | 0 | 108.4 | K804 | K804-S806 PolarHBondContact O-N 3.43Š| ||
| 807 | A | 65.1 | Low | 64.5 | Low | 94 Ų | 94 | 88 Ų | 88 | 78% | 0.777 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -73 | 131 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109 | T805 S809 | T805-A807 PolarHBondContact O-N 2.87Å; A807-S809 PolarHBondContact O-N 3.23Å; A807-S809 VanDerWaalsContact O-N 3.17Å |
| 808 | L | 67.6 | Low | 66.5 | Low | 104 Ų | 104 | 91.5 Ų | 91.5 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 116.5 | 173.2 | -167.3 | 77.2 | 0 | 0 | 0 | 108.9 | L645 N812 V813 | L645-L808 HydrophobicContact CD1-CD1 4.32Å; L645-L808 HydrophobicContact CD2-CD1 3.48Å; L645-L808 VanDerWaalsContact CD2-CD1 3.48Å; L808-N812 HydrophobicContact CD1-CB 4.25Å; L808-V813 HydrophobicContact CD2-CG2 3.78Å; L808-V813 HydrophobicContact CG-CG2 4.42Å |
| 809 | S | 69.9 | Low | 68.8 | Low | 58 Ų | 58 | 94.9 Ų | 94.9 | 41% | 0.406 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 144.6 | 176.7 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | A807 S811 N812 | A807-S809 PolarHBondContact O-N 3.23Å; A807-S809 VanDerWaalsContact O-N 3.17Å; S809-S811 VanDerWaalsContact CB-OG 3.28Å; S809-S811 WeakPolarHBondContact CB-OG 3.36Å; S809-S811 PolarHBondContact O-N 3.18Å; S809-S811 VanDerWaalsContact O-N 3.07Å; S809-S811 PolarHBondContact OG-N 3.49Å; S809-S811 PolarHBondContact OG-OG 2.99Å; S809-N812 WeakPolarHBondContact O-CB 3.17Å; S809-N812 PolarHBondContact O-N 2.94Å |
| 810 | L | 79.4 | Confident | 71.2 | Confident | 128 Ų | 128 | 96.6 Ų | 96.6 | 67% | 0.67 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -53.7 | -28.8 | 171 | -177.3 | 64.5 | 0 | 0 | 0 | 111.7 | N812 V813 A814 F817 | L810-N812 PolarHBondContact O-N 2.96Å; L810-V813 PolarHBondContact O-N 3.27Å; L810-V813 VanDerWaalsContact O-N 3.13Å; L810-A814 WeakPolarHBondContact O-CB 3.28Å; L810-A814 PolarHBondContact O-N 3Å; L810-F817 HydrophobicContact CD1-CE2 4.22Å |
| 811 | S | 73.7 | Confident | 73.3 | Confident | 40 Ų | 40 | 97 Ų | 97 | 28% | 0.28 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.7 | -32.2 | 175.6 | 57 | 0 | 0 | 0 | 0 | 113.6 | S809 V813 | S809-S811 VanDerWaalsContact CB-OG 3.28Å; S809-S811 WeakPolarHBondContact CB-OG 3.36Å; S809-S811 PolarHBondContact O-N 3.18Å; S809-S811 VanDerWaalsContact O-N 3.07Å; S809-S811 PolarHBondContact OG-N 3.49Å; S809-S811 PolarHBondContact OG-OG 2.99Å; S811-V813 VanDerWaalsContact C-N 3.3Å |
| 812 | N | 73.4 | Confident | 75.6 | Confident | 24 Ų | 24 | 93.5 Ų | 93.5 | 13% | 0.128 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -74.1 | -27.3 | -178 | -59.9 | 6.8 | 0 | 0 | 0 | 111.2 | P533 L808 S809 L810 | P533-N812 WeakPolarHBondContact CD-OD1 3.46Å; P533-N812 VanDerWaalsContact CG-OD1 3.26Å; P533-N812 WeakPolarHBondContact CG-OD1 3.42Å; L808-N812 HydrophobicContact CD1-CB 4.25Å; S809-N812 WeakPolarHBondContact O-CB 3.17Å; S809-N812 PolarHBondContact O-N 2.94Å; L810-N812 PolarHBondContact O-N 2.96Å |
| 813 | V | 80.2 | Confident | 77.8 | Confident | 48 Ų | 48 | 86.7 Ų | 86.7 | 29% | 0.291 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -104.2 | -10.8 | -177 | -167.2 | 0 | 0 | 0 | 0 | 111.8 | L808 L810 S811 G815 V816 F817 | L808-V813 HydrophobicContact CD2-CG2 3.78Å; L808-V813 HydrophobicContact CG-CG2 4.42Å; L810-V813 PolarHBondContact O-N 3.27Å; L810-V813 VanDerWaalsContact O-N 3.13Å; S811-V813 VanDerWaalsContact C-N 3.3Å; V813-G815 PolarHBondContact O-N 2.92Å; V813-G815 VanDerWaalsContact O-N 3.15Å; V813-V816 HydrophobicContact CG1-CB 4.22Å; V813-V816 HydrophobicContact CG1-CG2 4.27Å; V813-V816 WeakPolarHBondContact O-CB 3.29Å; V813-V816 PolarHBondContact O-N 3.17Å; V813-F817 HydrophobicContact CB-CE2 4.43Å; V813-F817 HydrophobicContact CG1-CD2 4.19Å; V813-F817 HydrophobicContact CG1-CE2 3.83Å; V813-F817 WeakPolarHBondContact O-CD2 3.24Å; V813-F817 PolarHBondContact O-N 2.92Å |
| 814 | A | 84.6 | Confident | 80 | Confident | 17 Ų | 17 | 82.8 Ų | 82.8 | 14% | 0.14 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -54.2 | -38.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L810 V816 F817 Y818 | L810-A814 WeakPolarHBondContact O-CB 3.28Å; L810-A814 PolarHBondContact O-N 3Å; A814-V816 VanDerWaalsContact C-N 3.29Å; A814-V816 PolarHBondContact O-N 2.91Å; A814-F817 PolarHBondContact O-N 2.84Å; A814-Y818 HydrophobicContact CB-CE2 4.24Å; A814-Y818 WeakPolarHBondContact O-CD2 3.41Å; A814-Y818 PolarHBondContact O-N 2.69Å |
| 815 | G | 86.6 | Confident | 82 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -62.6 | -33.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V535 V813 Y818 I819 | V535-G815 VanDerWaalsContact CG1-CA 3.42Å; V535-G815 VanDerWaalsContact O-CA 3.28Å; V535-G815 WeakPolarHBondContact O-CA 3.47Å; V535-G815 PolarHBondContact O-N 3.33Å; V813-G815 PolarHBondContact O-N 2.92Å; V813-G815 VanDerWaalsContact O-N 3.15Å; G815-Y818 PolarHBondContact O-N 3.02Å; G815-I819 WeakPolarHBondContact O-CG1 3.42Å; G815-I819 PolarHBondContact O-N 3.03Å |
| 816 | V | 89.2 | Confident | 83.9 | Confident | 69 Ų | 69 | 74.8 Ų | 74.8 | 42% | 0.418 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.5 | -42 | 176.3 | -174 | 0 | 0 | 0 | 0 | 110.3 | F538 V813 A814 I819 L820 | F538-V816 HydrophobicContact CD1-CG2 3.87Å; F538-V816 HydrophobicContact CD2-CG2 4.41Å; F538-V816 HydrophobicContact CE1-CG2 4.12Å; F538-V816 HydrophobicContact CG-CG2 4.04Å; V813-V816 HydrophobicContact CG1-CB 4.22Å; V813-V816 HydrophobicContact CG1-CG2 4.27Å; V813-V816 WeakPolarHBondContact O-CB 3.29Å; V813-V816 PolarHBondContact O-N 3.17Å; A814-V816 VanDerWaalsContact C-N 3.29Å; A814-V816 PolarHBondContact O-N 2.91Å; V816-I819 PolarHBondContact O-N 2.96Å; V816-L820 WeakPolarHBondContact O-CB 3.37Å; V816-L820 PolarHBondContact O-N 2.83Å |
| 817 | F | 90 | Very high | 85.8 | Confident | 111 Ų | 111 | 73.5 Ų | 73.5 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 174.9 | -73.6 | -79.9 | 0 | 0 | 0 | 112.4 | L810 V813 A814 L820 V821 | L810-F817 HydrophobicContact CD1-CE2 4.22Å; V813-F817 HydrophobicContact CB-CE2 4.43Å; V813-F817 HydrophobicContact CG1-CD2 4.19Å; V813-F817 HydrophobicContact CG1-CE2 3.83Å; V813-F817 WeakPolarHBondContact O-CD2 3.24Å; V813-F817 PolarHBondContact O-N 2.92Å; A814-F817 PolarHBondContact O-N 2.84Å; F817-L820 PolarHBondContact O-N 3.07Å; F817-V821 WeakPolarHBondContact O-CG2 3.16Å; F817-V821 PolarHBondContact O-N 3.43Å |
| 818 | Y | 91.4 | Very high | 87.1 | Confident | 152 Ų | 152 | 75.1 Ų | 75.1 | 60% | 0.596 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.3 | -41.2 | 175.8 | -62.7 | -35.4 | 0 | 0 | 0 | 112.2 | V535 A814 G815 G822 | V535-Y818 HydrophobicContact CG1-CD2 3.67Å; V535-Y818 HydrophobicContact CG1-CE2 3.75Å; A814-Y818 HydrophobicContact CB-CE2 4.24Å; A814-Y818 WeakPolarHBondContact O-CD2 3.41Å; A814-Y818 PolarHBondContact O-N 2.69Å; G815-Y818 PolarHBondContact O-N 3.02Å; Y818-G822 PolarHBondContact O-N 3.28Å |
| 819 | I | 92.3 | Very high | 88.4 | Confident | 96 Ų | 96 | 74.6 Ų | 74.6 | 49% | 0.492 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 175.6 | -68.4 | 170 | 0 | 0 | 0 | 110.8 | F538 G815 V816 G822 G823 | F538-I819 HydrophobicContact CE1-CD1 4.48Å; F538-I819 HydrophobicContact CE2-CD1 4.33Å; F538-I819 HydrophobicContact CZ-CD1 3.59Å; G815-I819 WeakPolarHBondContact O-CG1 3.42Å; G815-I819 PolarHBondContact O-N 3.03Å; V816-I819 PolarHBondContact O-N 2.96Å; I819-G822 PolarHBondContact O-N 3.18Å; I819-G823 PolarHBondContact O-N 3.14Å |
| 820 | L | 92.8 | Very high | 89.6 | Confident | 101 Ų | 101 | 74.9 Ų | 74.9 | 53% | 0.529 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.4 | -51.3 | 177.6 | 178 | 64.2 | 0 | 0 | 0 | 111.9 | V816 F817 G822 G823 L824 | V816-L820 WeakPolarHBondContact O-CB 3.37Å; V816-L820 PolarHBondContact O-N 2.83Å; F817-L820 PolarHBondContact O-N 3.07Å; L820-G822 VanDerWaalsContact C-N 3.35Å; L820-G822 PolarHBondContact O-N 3.49Å; L820-G823 PolarHBondContact O-N 2.85Å; L820-L824 HydrophobicContact CG-CD1 4.47Å; L820-L824 WeakPolarHBondContact O-CG 3.4Å; L820-L824 PolarHBondContact O-N 2.94Å |
| 821 | V | 94.5 | Very high | 90.2 | Very high | 100 Ų | 100 | 71.4 Ų | 71.4 | 61% | 0.606 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.5 | -41.4 | 179.7 | 174 | 0 | 0 | 0 | 0 | 110.9 | F817 G823 L824 G825 | F817-V821 WeakPolarHBondContact O-CG2 3.16Å; F817-V821 PolarHBondContact O-N 3.43Å; V821-G823 VanDerWaalsContact C-N 3.32Å; V821-G823 PolarHBondContact O-N 3.47Å; V821-L824 PolarHBondContact O-N 2.93Å; V821-G825 PolarHBondContact O-N 3.5Å |
| 822 | G | 95.1 | Very high | 91.1 | Very high | 46 Ų | 46 | 74.2 Ų | 74.2 | 47% | 0.474 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y818 I819 L820 G825 L826 | Y818-G822 PolarHBondContact O-N 3.28Å; I819-G822 PolarHBondContact O-N 3.18Å; L820-G822 VanDerWaalsContact C-N 3.35Å; L820-G822 PolarHBondContact O-N 3.49Å; G822-G825 PolarHBondContact O-N 3.12Å; G822-L826 WeakPolarHBondContact O-CB 3.32Å; G822-L826 PolarHBondContact O-N 3.45Å |
| 823 | G | 95 | Very high | 92.1 | Very high | 38 Ų | 38 | 76.8 Ų | 76.8 | 39% | 0.392 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I819 L820 V821 L826 A827 | I819-G823 PolarHBondContact O-N 3.14Å; L820-G823 PolarHBondContact O-N 2.85Å; V821-G823 VanDerWaalsContact C-N 3.32Å; V821-G823 PolarHBondContact O-N 3.47Å; G823-L826 PolarHBondContact O-N 3.01Å; G823-A827 WeakPolarHBondContact O-CB 3.36Å; G823-A827 PolarHBondContact O-N 3.09Å |
| 824 | L | 95.6 | Very high | 92.7 | Very high | 109 Ų | 109 | 80.6 Ų | 80.6 | 57% | 0.571 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63.1 | -42.9 | 174.4 | -70.3 | 173.7 | 0 | 0 | 0 | 111.9 | L820 V821 L826 A827 M828 | L820-L824 HydrophobicContact CG-CD1 4.47Å; L820-L824 WeakPolarHBondContact O-CG 3.4Å; L820-L824 PolarHBondContact O-N 2.94Å; V821-L824 PolarHBondContact O-N 2.93Å; L824-L826 VanDerWaalsContact C-N 3.35Å; L824-A827 PolarHBondContact O-N 3.26Å; L824-M828 WeakPolarHBondContact O-CB 3.5Å; L824-M828 PolarHBondContact O-N 3.47Å |
| 825 | G | 94.7 | Very high | 93 | Very high | 41 Ų | 41 | 86.8 Ų | 86.8 | 42% | 0.423 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V821 G822 L829 | V821-G825 PolarHBondContact O-N 3.5Å; G822-G825 PolarHBondContact O-N 3.12Å; G825-L829 WeakPolarHBondContact O-CB 3.45Å; G825-L829 PolarHBondContact O-N 2.9Å |
| 826 | L | 95.1 | Very high | 93.1 | Very high | 109 Ų | 109 | 90 Ų | 90 | 57% | 0.571 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.9 | -44.4 | 176.1 | -176.4 | 63.2 | 0 | 0 | 0 | 111.7 | G822 G823 L824 M828 L829 V830 | G822-L826 WeakPolarHBondContact O-CB 3.32Å; G822-L826 PolarHBondContact O-N 3.45Å; G823-L826 PolarHBondContact O-N 3.01Å; L824-L826 VanDerWaalsContact C-N 3.35Å; L826-M828 PolarHBondContact O-N 3.36Å; L826-L829 WeakPolarHBondContact O-CB 3.4Å; L826-L829 PolarHBondContact O-N 3.03Å; L826-V830 HydrophobicContact CD1-CG2 4.48Å; L826-V830 VanDerWaalsContact O-CG2 3.31Å; L826-V830 WeakPolarHBondContact O-CG2 3.47Å; L826-V830 PolarHBondContact O-N 2.85Å |
| 827 | A | 94.7 | Very high | 93.2 | Very high | 59 Ų | 59 | 94.9 Ų | 94.9 | 49% | 0.488 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G823 L824 L829 V830 A831 | G823-A827 WeakPolarHBondContact O-CB 3.36Å; G823-A827 PolarHBondContact O-N 3.09Å; L824-A827 PolarHBondContact O-N 3.26Å; A827-L829 VanDerWaalsContact C-N 3.35Å; A827-L829 PolarHBondContact O-N 2.91Å; A827-V830 PolarHBondContact O-N 3.06Å; A827-A831 WeakPolarHBondContact O-CB 3.25Å; A827-A831 PolarHBondContact O-N 3.02Å |
| 828 | M | 94 | Very high | 93.2 | Very high | 127 Ų | 127 | 96 Ų | 96 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.5 | -42 | 175.3 | -171.6 | -174.4 | -62.2 | 0 | 0 | 111.6 | L824 L826 A831 L832 | L824-M828 WeakPolarHBondContact O-CB 3.5Å; L824-M828 PolarHBondContact O-N 3.47Å; L826-M828 PolarHBondContact O-N 3.36Å; M828-A831 PolarHBondContact O-N 2.84Å; M828-L832 HydrophobicContact CG-CD1 4.35Å; M828-L832 WeakPolarHBondContact O-CB 3.46Å; M828-L832 VanDerWaalsContact O-CG 3.28Å; M828-L832 WeakPolarHBondContact O-CG 3.42Å; M828-L832 PolarHBondContact O-N 3.18Å |
| 829 | L | 94 | Very high | 92.9 | Very high | 93 Ų | 93 | 91.5 Ų | 91.5 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62 | -46.5 | 176.2 | 179.4 | 64.3 | 0 | 0 | 0 | 111.5 | G825 L826 A827 L832 I833 | G825-L829 WeakPolarHBondContact O-CB 3.45Å; G825-L829 PolarHBondContact O-N 2.9Å; L826-L829 WeakPolarHBondContact O-CB 3.4Å; L826-L829 PolarHBondContact O-N 3.03Å; A827-L829 VanDerWaalsContact C-N 3.35Å; A827-L829 PolarHBondContact O-N 2.91Å; L829-L832 PolarHBondContact O-N 2.87Å; L829-I833 HydrophobicContact CD1-CD1 4.04Å; L829-I833 HydrophobicContact CD1-CG1 4.38Å; L829-I833 HydrophobicContact CG-CD1 3.83Å; L829-I833 WeakPolarHBondContact O-CB 3.21Å; L829-I833 WeakPolarHBondContact O-CD1 3.45Å; L829-I833 WeakPolarHBondContact O-CG1 3.25Å; L829-I833 PolarHBondContact O-N 2.71Å |
| 830 | V | 94.4 | Very high | 92.7 | Very high | 65 Ų | 65 | 95.9 Ų | 95.9 | 39% | 0.394 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 177.5 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | L826 A827 L832 I833 E834 | L826-V830 HydrophobicContact CD1-CG2 4.48Å; L826-V830 VanDerWaalsContact O-CG2 3.31Å; L826-V830 WeakPolarHBondContact O-CG2 3.47Å; L826-V830 PolarHBondContact O-N 2.85Å; A827-V830 PolarHBondContact O-N 3.06Å; V830-L832 VanDerWaalsContact C-N 3.34Å; V830-L832 PolarHBondContact O-N 2.72Å; V830-I833 PolarHBondContact O-N 2.8Å; V830-E834 HydrophobicContact CG1-CG 4.4Å; V830-E834 WeakPolarHBondContact O-CG 3.41Å; V830-E834 PolarHBondContact O-N 2.84Å |
| 831 | A | 93.1 | Very high | 92.2 | Very high | 55 Ų | 55 | 93.5 Ų | 93.5 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | A827 M828 E834 F835 | A827-A831 WeakPolarHBondContact O-CB 3.25Å; A827-A831 PolarHBondContact O-N 3.02Å; M828-A831 PolarHBondContact O-N 2.84Å; A831-E834 PolarHBondContact O-N 2.79Å; A831-F835 VanDerWaalsContact O-CB 3.27Å; A831-F835 WeakPolarHBondContact O-CB 3.32Å; A831-F835 PolarHBondContact O-N 3.05Å |
| 832 | L | 92.9 | Very high | 91.7 | Very high | 99 Ų | 99 | 92.8 Ų | 92.8 | 52% | 0.518 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 175.4 | -73.8 | 172.5 | 0 | 0 | 0 | 112 | M828 L829 V830 F835 C836 | M828-L832 HydrophobicContact CG-CD1 4.35Å; M828-L832 WeakPolarHBondContact O-CB 3.46Å; M828-L832 VanDerWaalsContact O-CG 3.28Å; M828-L832 WeakPolarHBondContact O-CG 3.42Å; M828-L832 PolarHBondContact O-N 3.18Å; L829-L832 PolarHBondContact O-N 2.87Å; V830-L832 VanDerWaalsContact C-N 3.34Å; V830-L832 PolarHBondContact O-N 2.72Å; L832-F835 PolarHBondContact O-N 3.33Å; L832-C836 WeakPolarHBondContact O-CB 3.38Å; L832-C836 PolarHBondContact O-N 2.86Å; L832-C836 PolarHBondContact O-SG 3.35Å |
| 833 | I | 93.2 | Very high | 90.9 | Very high | 78 Ų | 78 | 92.7 Ų | 92.7 | 40% | 0.4 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -49.3 | 176.3 | -69.6 | 166.4 | 0 | 0 | 0 | 109.9 | L829 V830 F835 C836 Y837 | L829-I833 HydrophobicContact CD1-CD1 4.04Å; L829-I833 HydrophobicContact CD1-CG1 4.38Å; L829-I833 HydrophobicContact CG-CD1 3.83Å; L829-I833 WeakPolarHBondContact O-CB 3.21Å; L829-I833 WeakPolarHBondContact O-CD1 3.45Å; L829-I833 WeakPolarHBondContact O-CG1 3.25Å; L829-I833 PolarHBondContact O-N 2.71Å; V830-I833 PolarHBondContact O-N 2.8Å; I833-F835 PolarHBondContact O-N 2.9Å; I833-C836 PolarHBondContact O-N 3.27Å; I833-Y837 HydrophobicContact CG2-CD2 3.53Å; I833-Y837 HydrophobicContact CG2-CE2 3.58Å; I833-Y837 VanDerWaalsContact O-CD2 3.28Å; I833-Y837 WeakPolarHBondContact O-CD2 3.4Å; I833-Y837 PolarHBondContact O-N 3.47Å |
| 834 | E | 92.5 | Very high | 90.2 | Very high | 128 Ų | 128 | 98.2 Ų | 98.2 | 60% | 0.598 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.2 | -45.2 | 177 | -75.5 | -174.4 | -180 | 0 | 0 | 111.9 | V830 A831 C836 Y837 K838 | V830-E834 HydrophobicContact CG1-CG 4.4Å; V830-E834 WeakPolarHBondContact O-CG 3.41Å; V830-E834 PolarHBondContact O-N 2.84Å; A831-E834 PolarHBondContact O-N 2.79Å; E834-C836 VanDerWaalsContact C-N 3.32Å; E834-C836 PolarHBondContact O-N 3.32Å; E834-Y837 PolarHBondContact O-N 2.92Å; E834-K838 VanDerWaalsContact O-CB 3.29Å; E834-K838 WeakPolarHBondContact O-CB 3.5Å; E834-K838 PolarHBondContact O-N 3.45Å |
| 835 | F | 91.3 | Very high | 89.3 | Confident | 146 Ų | 146 | 102.6 Ų | 102.6 | 64% | 0.64 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.4 | -43.2 | 176.1 | -175.4 | -97.9 | 0 | 0 | 0 | 111.4 | A831 L832 I833 S839 | A831-F835 VanDerWaalsContact O-CB 3.27Å; A831-F835 WeakPolarHBondContact O-CB 3.32Å; A831-F835 PolarHBondContact O-N 3.05Å; L832-F835 PolarHBondContact O-N 3.33Å; I833-F835 PolarHBondContact O-N 2.9Å; F835-S839 WeakPolarHBondContact O-CB 3.47Å; F835-S839 PolarHBondContact O-N 3.36Å |
| 836 | C | 90.1 | Very high | 88.2 | Confident | 68 Ų | 68 | 106.6 Ų | 106.6 | 46% | 0.459 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 176.7 | -71.6 | 0 | 0 | 0 | 0 | 112.3 | L832 I833 E834 R840 | L832-C836 WeakPolarHBondContact O-CB 3.38Å; L832-C836 PolarHBondContact O-N 2.86Å; L832-C836 PolarHBondContact O-SG 3.35Å; I833-C836 PolarHBondContact O-N 3.27Å; E834-C836 VanDerWaalsContact C-N 3.32Å; E834-C836 PolarHBondContact O-N 3.32Å; C836-R840 WeakPolarHBondContact O-CB 3.32Å; C836-R840 VanDerWaalsContact O-CG 3.3Å; C836-R840 WeakPolarHBondContact O-CG 3.46Å; C836-R840 PolarHBondContact O-N 3.24Å |
| 837 | Y | 90.2 | Very high | 87.2 | Confident | 171 Ų | 171 | 108.6 Ų | 108.6 | 67% | 0.671 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.1 | -48.3 | 176.5 | -90.7 | -75.9 | 0 | 0 | 0 | 111.6 | I833 E834 R840 A841 | I833-Y837 HydrophobicContact CG2-CD2 3.53Å; I833-Y837 HydrophobicContact CG2-CE2 3.58Å; I833-Y837 VanDerWaalsContact O-CD2 3.28Å; I833-Y837 WeakPolarHBondContact O-CD2 3.4Å; I833-Y837 PolarHBondContact O-N 3.47Å; E834-Y837 PolarHBondContact O-N 2.92Å; Y837-R840 PolarHBondContact O-N 2.87Å; Y837-A841 WeakPolarHBondContact O-CB 3.44Å; Y837-A841 PolarHBondContact O-N 3.42Å |
| 838 | K | 90.3 | Very high | 86.1 | Confident | 134 Ų | 134 | 110.8 Ų | 110.8 | 58% | 0.583 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.7 | -45 | 178.4 | -170.8 | 175.8 | 179.9 | 179.2 | 0 | 111.1 | E834 R840 A841 E842 | E834-K838 VanDerWaalsContact O-CB 3.29Å; E834-K838 WeakPolarHBondContact O-CB 3.5Å; E834-K838 PolarHBondContact O-N 3.45Å; K838-R840 PolarHBondContact O-N 3.32Å; K838-A841 PolarHBondContact O-N 3.5Å; K838-E842 WeakPolarHBondContact CE-OE1 3.37Å; K838-E842 HydrophobicContact CG-CG 4.44Å; K838-E842 WeakPolarHBondContact O-CB 3.49Å; K838-E842 WeakPolarHBondContact O-CG 3.48Å; K838-E842 PolarHBondContact O-N 3.42Å |
| 839 | S | 85.9 | Confident | 84.7 | Confident | 59 Ų | 59 | 107.3 Ų | 107.3 | 41% | 0.413 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.8 | -42.6 | 175.1 | -178.2 | 0 | 0 | 0 | 0 | 112 | F835 A843 | F835-S839 WeakPolarHBondContact O-CB 3.47Å; F835-S839 PolarHBondContact O-N 3.36Å; S839-A843 WeakPolarHBondContact O-CB 3.42Å; S839-A843 PolarHBondContact O-N 2.88Å |
| 840 | R | 86.4 | Confident | 83.1 | Confident | 187 Ų | 187 | 110 Ų | 110 | 71% | 0.706 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.8 | -39.4 | 174.4 | -77.7 | -179.7 | 177.9 | -173.1 | 1.4 | 112.7 | C836 Y837 K838 K844 | C836-R840 WeakPolarHBondContact O-CB 3.32Å; C836-R840 VanDerWaalsContact O-CG 3.3Å; C836-R840 WeakPolarHBondContact O-CG 3.46Å; C836-R840 PolarHBondContact O-N 3.24Å; Y837-R840 PolarHBondContact O-N 2.87Å; K838-R840 PolarHBondContact O-N 3.32Å; R840-K844 WeakPolarHBondContact O-CB 3.43Å; R840-K844 WeakPolarHBondContact O-CG 3.17Å; R840-K844 PolarHBondContact O-N 3.22Å |
| 841 | A | 84.1 | Confident | 81.4 | Confident | 51 Ų | 51 | 112.5 Ų | 112.5 | 42% | 0.421 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.1 | -43.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y837 K838 K844 R845 | Y837-A841 WeakPolarHBondContact O-CB 3.44Å; Y837-A841 PolarHBondContact O-N 3.42Å; K838-A841 PolarHBondContact O-N 3.5Å; A841-K844 WeakPolarHBondContact O-CB 3.48Å; A841-K844 PolarHBondContact O-N 2.99Å; A841-R845 WeakPolarHBondContact O-CG 3.09Å; A841-R845 PolarHBondContact O-N 3.38Å |
| 842 | E | 83 | Confident | 79.7 | Confident | 85 Ų | 85 | 113.2 Ų | 113.2 | 40% | 0.397 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.8 | -41.2 | 175.2 | -74.5 | 179.8 | -177.3 | 0 | 0 | 111.6 | K838 K844 R845 M846 | K838-E842 WeakPolarHBondContact CE-OE1 3.37Å; K838-E842 HydrophobicContact CG-CG 4.44Å; K838-E842 WeakPolarHBondContact O-CB 3.49Å; K838-E842 WeakPolarHBondContact O-CG 3.48Å; K838-E842 PolarHBondContact O-N 3.42Å; E842-K844 VanDerWaalsContact C-N 3.28Å; E842-K844 PolarHBondContact O-N 3.11Å; E842-R845 CarbonylContact O-C 3.56Å; E842-R845 PolarHBondContact O-N 3.4Å; E842-R845 VanDerWaalsContact O-N 3.12Å; E842-M846 HydrophobicContact CB-CE 4.36Å; E842-M846 WeakPolarHBondContact O-CB 3.44Å; E842-M846 WeakPolarHBondContact O-CG 3.26Å; E842-M846 PolarHBondContact O-N 3.22Å |
| 843 | A | 78.9 | Confident | 77.9 | Confident | 44 Ų | 44 | 115.7 Ų | 115.7 | 36% | 0.364 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.1 | -36.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S839 K847 | S839-A843 WeakPolarHBondContact O-CB 3.42Å; S839-A843 PolarHBondContact O-N 2.88Å; A843-K847 WeakPolarHBondContact O-CB 3.43Å; A843-K847 VanDerWaalsContact O-CG 3.27Å; A843-K847 WeakPolarHBondContact O-CG 3.38Å; A843-K847 PolarHBondContact O-N 3.21Å |
| 844 | K | 79.7 | Confident | 75.9 | Confident | 155 Ų | 155 | 118.7 Ų | 118.7 | 67% | 0.674 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.6 | -47.2 | 170.1 | -80.2 | -177.5 | 178.3 | -175.9 | 0 | 111.3 | R840 A841 E842 M846 K847 V848 | R840-K844 WeakPolarHBondContact O-CB 3.43Å; R840-K844 WeakPolarHBondContact O-CG 3.17Å; R840-K844 PolarHBondContact O-N 3.22Å; A841-K844 WeakPolarHBondContact O-CB 3.48Å; A841-K844 PolarHBondContact O-N 2.99Å; E842-K844 VanDerWaalsContact C-N 3.28Å; E842-K844 PolarHBondContact O-N 3.11Å; K844-M846 PolarHBondContact O-N 2.9Å; K844-K847 PolarHBondContact O-N 3.28Å; K844-V848 VanDerWaalsContact O-CG2 3.3Å; K844-V848 WeakPolarHBondContact O-CG2 3.47Å; K844-V848 PolarHBondContact O-N 3.24Å |
| 845 | R | 77.2 | Confident | 74 | Confident | 201 Ų | 201 | 118.9 Ų | 118.9 | 76% | 0.758 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59.9 | -43 | 176.6 | -78.7 | -176.6 | 170.9 | 179.5 | -2.4 | 112 | A841 E842 V848 A849 | A841-R845 WeakPolarHBondContact O-CG 3.09Å; A841-R845 PolarHBondContact O-N 3.38Å; E842-R845 CarbonylContact O-C 3.56Å; E842-R845 PolarHBondContact O-N 3.4Å; E842-R845 VanDerWaalsContact O-N 3.12Å; R845-V848 PolarHBondContact O-N 3.22Å; R845-A849 WeakPolarHBondContact O-CB 3.39Å; R845-A849 PolarHBondContact O-N 2.01Å |
| 846 | M | 71.4 | Confident | 71.7 | Confident | 125 Ų | 125 | 118.9 Ų | 118.9 | 62% | 0.616 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.1 | -38.5 | 176.6 | -69.7 | -171.1 | -147.5 | 0 | 0 | 112.2 | E842 K844 V848 A849 K850 | E842-M846 HydrophobicContact CB-CE 4.36Å; E842-M846 WeakPolarHBondContact O-CB 3.44Å; E842-M846 WeakPolarHBondContact O-CG 3.26Å; E842-M846 PolarHBondContact O-N 3.22Å; K844-M846 PolarHBondContact O-N 2.9Å; M846-V848 VanDerWaalsContact C-N 3.34Å; M846-A849 PolarHBondContact O-N 2.97Å; M846-K850 VanDerWaalsContact O-CB 3.26Å; M846-K850 WeakPolarHBondContact O-CB 3.38Å; M846-K850 PolarHBondContact O-N 3.28Å |
| 847 | K | 73.8 | Confident | 69 | Low | 151 Ų | 151 | 121.5 Ų | 121.5 | 66% | 0.657 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64 | -39.1 | 173.1 | -78.8 | -179.6 | -178.6 | -173.9 | 0 | 111.9 | A843 K844 N851 | A843-K847 WeakPolarHBondContact O-CB 3.43Å; A843-K847 VanDerWaalsContact O-CG 3.27Å; A843-K847 WeakPolarHBondContact O-CG 3.38Å; A843-K847 PolarHBondContact O-N 3.21Å; K844-K847 PolarHBondContact O-N 3.28Å; K847-N851 WeakPolarHBondContact O-CB 3.27Å; K847-N851 VanDerWaalsContact O-CG 3.31Å; K847-N851 PolarHBondContact O-N 3.45Å |
| 848 | V | 70.7 | Confident | 66.6 | Low | 104 Ų | 104 | 118.7 Ų | 118.7 | 63% | 0.63 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.6 | -43.9 | 173.9 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | K844 R845 M846 N851 A852 | K844-V848 VanDerWaalsContact O-CG2 3.3Å; K844-V848 WeakPolarHBondContact O-CG2 3.47Å; K844-V848 PolarHBondContact O-N 3.24Å; R845-V848 PolarHBondContact O-N 3.22Å; M846-V848 VanDerWaalsContact C-N 3.34Å; V848-N851 PolarHBondContact O-N 3.42Å; V848-A852 PolarHBondContact O-N 3.31Å; V848-A852 VanDerWaalsContact O-N 3.08Å |
| 849 | A | 65.5 | Low | 64.1 | Low | 54 Ų | 54 | 118.2 Ų | 118.2 | 45% | 0.446 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -66 | -39.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R845 M846 A852 Q853 | R845-A849 WeakPolarHBondContact O-CB 3.39Å; R845-A849 PolarHBondContact O-N 2.01Å; M846-A849 PolarHBondContact O-N 2.97Å; A849-A852 WeakPolarHBondContact O-CB 2.96Å; A849-A852 PolarHBondContact O-N 3.38Å; A849-Q853 PolarHBondContact O-N 3.33Å |
| 850 | K | 60.3 | Low | 61.6 | Low | 149 Ų | 149 | 120.6 Ų | 120.6 | 65% | 0.648 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71 | -33.7 | 178.5 | -152.2 | 176.2 | -171.2 | -179.9 | 0 | 112 | M846 A852 Q853 N854 | M846-K850 VanDerWaalsContact O-CB 3.26Å; M846-K850 WeakPolarHBondContact O-CB 3.38Å; M846-K850 PolarHBondContact O-N 3.28Å; K850-A852 VanDerWaalsContact C-N 3.31Å; K850-Q853 PolarHBondContact O-N 3.07Å; K850-N854 PolarHBondContact O-N 2.97Å |
| 851 | N | 59.3 | Low | 59.3 | Low | 118 Ų | 118 | 119.8 Ų | 119.8 | 63% | 0.631 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.2 | -30.3 | 170.2 | -76.1 | -6.5 | 0 | 0 | 0 | 112.3 | K847 V848 | K847-N851 WeakPolarHBondContact O-CB 3.27Å; K847-N851 VanDerWaalsContact O-CG 3.31Å; K847-N851 PolarHBondContact O-N 3.45Å; V848-N851 PolarHBondContact O-N 3.42Å |
| 852 | A | 57.7 | Low | 57 | Low | 70 Ų | 70 | 125 Ų | 125 | 58% | 0.579 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -73.6 | -30.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V848 A849 K850 | V848-A852 PolarHBondContact O-N 3.31Å; V848-A852 VanDerWaalsContact O-N 3.08Å; A849-A852 WeakPolarHBondContact O-CB 2.96Å; A849-A852 PolarHBondContact O-N 3.38Å; K850-A852 VanDerWaalsContact C-N 3.31Å |
| 853 | Q | 53.7 | Low | 54.9 | Low | 152 Ų | 152 | 125.3 Ų | 125.3 | 71% | 0.71 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -77.9 | -20.9 | 178.7 | -80.1 | -178.5 | -26.7 | 0 | 0 | 114.7 | A849 K850 I855 | A849-Q853 PolarHBondContact O-N 3.33Å; K850-Q853 PolarHBondContact O-N 3.07Å; Q853-I855 PolarHBondContact O-N 3.48Å; Q853-I855 VanDerWaalsContact O-N 3.14Å |
| 854 | N | 51.3 | Low | 52.8 | Low | 141 Ų | 141 | 131.6 Ų | 131.6 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 1.8 | 176.5 | -86.8 | -8.2 | 0 | 0 | 0 | 114.6 | K850 | K850-N854 PolarHBondContact O-N 2.97Š|
| 855 | I | 54.3 | Low | 50.8 | Low | 131 Ų | 131 | 132.2 Ų | 132.2 | 67% | 0.672 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -6.5 | -177.8 | -66.9 | 175.2 | 0 | 0 | 0 | 113.1 | Q853 | Q853-I855 PolarHBondContact O-N 3.48Å; Q853-I855 VanDerWaalsContact O-N 3.14Å |
| 856 | N | 41.6 | Very low | 48.7 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | trans | -150.6 | 105.6 | 175.3 | -89 | -33.5 | 0 | 0 | 0 | 112.9 | ||||
| 857 | P | 33.8 | Very low | 47.1 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | trans | -101.2 | 109.9 | 169.9 | 33.9 | -22.3 | 0 | 0 | 0 | 110.2 | ||||
| 858 | S | 40.5 | Very low | 45.2 | Very low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | trans | -170.2 | 139.2 | 150.4 | 37.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 859 | S | 37.5 | Very low | 43.2 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | trans | 83 | 73.3 | 174.2 | 70.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 860 | S | 33.9 | Very low | 41.6 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -77.1 | 145 | 146.4 | 45 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 861 | Q | 36.6 | Very low | 40.3 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | 153.3 | 105.9 | 132.4 | -84.1 | -175.9 | -5.5 | 0 | 0 | 112.5 | ||||
| 862 | N | 37.5 | Very low | 39.1 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | -172.3 | 82.8 | 121.9 | -97.5 | -11.5 | 0 | 0 | 0 | 111.9 | |||||
| 863 | S | 37.3 | Very low | 38 | Very low | 92 Ų | 92 | 148.9 Ų | 148.9 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | trans | 18.7 | 129.9 | 131.2 | -44.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 864 | Q | 35.7 | Very low | 37.1 | Very low | 176 Ų | 176 | 148.9 Ų | 148.9 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | 88.5 | 98.8 | 133 | -72.5 | 172.4 | -5.5 | 0 | 0 | 120.2 | ||||
| 865 | N | 37.1 | Very low | 36.3 | Very low | 168 Ų | 168 | 148.3 Ų | 148.3 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | -159.1 | 120.3 | 106.3 | -90.8 | -28.5 | 0 | 0 | 0 | 111.2 | |||||
| 866 | F | 33 | Very low | 35.5 | Very low | 220 Ų | 220 | 153 Ų | 153 | 97% | 0.965 | 82% | 0.816 | S | S | * | * | trans | -84.2 | 120.9 | 175.7 | -116.9 | -100.2 | 0 | 0 | 0 | 108.8 | ||||
| 867 | A | 37.6 | Very low | 35.2 | Very low | 96 Ų | 96 | 149.1 Ų | 149.1 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | -154.9 | 113.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 868 | T | 33.6 | Very low | 35.3 | Very low | 114 Ų | 114 | 150.7 Ų | 150.7 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | trans | -38.3 | 145.6 | 169.9 | 6.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 869 | Y | 29.7 | Very low | 35.1 | Very low | 217 Ų | 217 | 154.9 Ų | 154.9 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | trans | 57.9 | 110.6 | 151.7 | -69.4 | -76.9 | 0 | 0 | 0 | 120.8 | ||||
| 870 | K | 32.5 | Very low | 35.1 | Very low | 206 Ų | 206 | 153.7 Ų | 153.7 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | 177.3 | 136.6 | 111.8 | -106.2 | 179.1 | 174.1 | 178.8 | 0 | 112.8 | |||||
| 871 | E | 32.5 | Very low | 35.6 | Very low | 185 Ų | 185 | 155.6 Ų | 155.6 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -55.3 | 136 | 165.5 | -67.5 | 168.5 | 141.1 | 0 | 0 | 110.9 | ||||
| 872 | G | 32.7 | Very low | 35.6 | Very low | 72 Ų | 72 | 156.8 Ų | 156.8 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | trans | -125 | 72.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 873 | Y | 35.9 | Very low | 35.4 | Very low | 212 Ų | 212 | 160.7 Ų | 160.7 | 83% | 0.831 | 84% | 0.838 | S | S | * | * | trans | -75.6 | 121 | 155.8 | -88.6 | -94.4 | 0 | 0 | 0 | 107.4 | V875 | Y873-V875 PolarHBondContact O-N 3.18Š| ||
| 874 | N | 33.8 | Very low | 35.3 | Very low | 153 Ų | 153 | 164.1 Ų | 164.1 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | trans | -66 | 99.1 | 174.9 | -78.9 | -24.2 | 0 | 0 | 0 | 109.8 | ||||
| 875 | V | 34.3 | Very low | 35.3 | Very low | 129 Ų | 129 | 163.5 Ų | 163.5 | 78% | 0.782 | 85% | 0.849 | S | S | * | * | trans | -82.9 | 110.2 | 158.8 | 175.7 | 0 | 0 | 0 | 0 | 106.8 | Y873 | Y873-V875 PolarHBondContact O-N 3.18Š| ||
| 876 | Y | 38.4 | Very low | 35.2 | Very low | 228 Ų | 228 | 163.2 Ų | 163.2 | 89% | 0.894 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 119.3 | 156.8 | -92.9 | -82.6 | 0 | 0 | 0 | 108.1 | ||
| 877 | G | 34.5 | Very low | 35.4 | Very low | 65 Ų | 65 | 159.9 Ų | 159.9 | 67% | 0.67 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -75 | 161.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 878 | I | 36.3 | Very low | 35.2 | Very low | 158 Ų | 158 | 163.9 Ų | 163.9 | 81% | 0.81 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 135.8 | 175 | -64.1 | 153 | 0 | 0 | 0 | 111.1 | ||
| 879 | E | 37.3 | Very low | 35.3 | Very low | 199 Ų | 199 | 167.2 Ų | 167.2 | 93% | 0.93 | 85% | 0.851 | S | S | * | * | trans | -125.3 | 114.6 | 142.5 | -112.6 | -176.8 | 179.2 | 0 | 0 | 109.4 | ||||
| 880 | S | 36.2 | Very low | 35.7 | Very low | 100 Ų | 100 | 163.6 Ų | 163.6 | 70% | 0.699 | 85% | 0.851 | S | S | * | * | trans | -76.5 | 135.3 | 175 | 48.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 881 | V | 44.1 | Very low | 36 | Very low | 147 Ų | 147 | 160.4 Ų | 160.4 | 89% | 0.891 | 85% | 0.848 | S | S | * | * | trans | -132.4 | 125.9 | 148.9 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 882 | K | 37.6 | Very low | 36.3 | Very low | 196 Ų | 196 | 158.3 Ų | 158.3 | 85% | 0.852 | 85% | 0.846 | S | S | * | * | trans | -52.7 | 135.1 | 176.2 | -68 | 168.4 | 171.3 | 174.6 | 0 | 112.7 | ||||
| 883 | I | 34.1 | Very low | 36.6 | Very low | 241 Ų | 241 | 166.2 Ų | 166.2 | 100% | 1.236 | 86% | 0.856 | S | S | * | * | -137.5 | 0 | 97.9 | -72.5 | -177.6 | 0 | 0 | 0 | 107.2 |
Retrieved 883 of 883 residues in 5191.9 ms
(Link to these results)