| 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 | 38.1 | Very low | 42.4 | Very low | 222 Ų | 222 | 161.4 Ų | 161.4 | 100% | 1.094 | 80% | 0.796 | S | S | * | * | 0 | 90.6 | 0 | -68.3 | -67.1 | -170.8 | 0 | 0 | 105.8 | |||||
| 2 | L | 36.5 | Very low | 42 | Very low | 144 Ų | 144 | 160.1 Ų | 160.1 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | 53.2 | 127.3 | 97.7 | -83.5 | 101.9 | 0 | 0 | 0 | 111.4 | |||||
| 3 | W | 37.9 | Very low | 41.5 | Very low | 217 Ų | 217 | 156.8 Ų | 156.8 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | cis | -175.5 | 145.9 | 4.7 | -131.3 | 41.8 | 0 | 0 | 0 | 105.6 | ||||
| 4 | L | 46.3 | Very low | 41.3 | Very low | 121 Ų | 121 | 157.9 Ų | 157.9 | 63% | 0.634 | 78% | 0.782 | S | S | * | * | trans | 14.8 | 124.3 | 146.8 | -72.2 | 137 | 0 | 0 | 0 | 119.4 | ||||
| 5 | F | 44.3 | Very low | 41 | Very low | 219 Ų | 219 | 151.1 Ų | 151.1 | 96% | 0.961 | 77% | 0.769 | S | S | * | * | -151.2 | 99.9 | 129.6 | -105.7 | -75.7 | 0 | 0 | 0 | 110.9 | |||||
| 6 | Q | 48.8 | Very low | 41.2 | Very low | 188 Ų | 188 | 149.4 Ų | 149.4 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | -121.8 | 115.9 | 164.1 | -175.5 | 154.8 | -0.4 | 0 | 0 | 106.4 | ||||
| 7 | S | 44.3 | Very low | 41.1 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -170.1 | 101.1 | 162.4 | -165.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 8 | L | 42.9 | Very low | 40.7 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | 89.4 | 83.6 | 95.8 | -141.6 | 84.5 | 0 | 0 | 0 | 111.7 | F10 | L8-F10 VanDerWaalsContact C-N 3.34Å; L8-F10 HydrophobicContact CD2-CD2 3.63Å; L8-F10 HydrophobicContact CD2-CE2 3.48Å; L8-F10 VanDerWaalsContact CD2-CE2 3.48Å; L8-F10 HydrophobicContact CG-CD2 4.36Å; L8-F10 PolarHBondContact O-N 2.74Å | |||
| 9 | L | 41.4 | Very low | 40.6 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | trans | -67.6 | 93.7 | 160.9 | -101.5 | 144.4 | 0 | 0 | 0 | 107.8 | V11 | L9-V11 VanDerWaalsContact C-N 3.32Å; L9-V11 PolarHBondContact O-N 3.36Å | ||
| 10 | F | 42 | Very low | 40.6 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | trans | -67.3 | 94.4 | 163.9 | -111 | -87.3 | 0 | 0 | 0 | 107.8 | L8 F12 | L8-F10 VanDerWaalsContact C-N 3.34Å; L8-F10 HydrophobicContact CD2-CD2 3.63Å; L8-F10 HydrophobicContact CD2-CE2 3.48Å; L8-F10 VanDerWaalsContact CD2-CE2 3.48Å; L8-F10 HydrophobicContact CG-CD2 4.36Å; L8-F10 PolarHBondContact O-N 2.74Å; F10-F12 VanDerWaalsContact C-N 3.27Å; F10-F12 HydrophobicContact CB-CD2 4.38Å; F10-F12 HydrophobicContact CD1-CE2 4.35Å; F10-F12 PolarHBondContact O-N 2.89Å | ||
| 11 | V | 43.9 | Very low | 40.4 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 67% | 0.667 | 78% | 0.775 | S | S | * | * | trans | -68.7 | 94.3 | 161.8 | 177.8 | 0 | 0 | 0 | 0 | 106.1 | L9 C13 | L9-V11 VanDerWaalsContact C-N 3.32Å; L9-V11 PolarHBondContact O-N 3.36Å; V11-C13 VanDerWaalsContact C-N 3.29Å; V11-C13 PolarHBondContact O-N 3.05Å | ||
| 12 | F | 37.4 | Very low | 40.5 | Very low | 146 Ų | 146 | 140.7 Ų | 140.7 | 64% | 0.64 | 76% | 0.758 | S | S | * | * | trans | -66.1 | 94.2 | 164 | -94 | -85.6 | 0 | 0 | 0 | 107.8 | F10 F14 | F10-F12 VanDerWaalsContact C-N 3.27Å; F10-F12 HydrophobicContact CB-CD2 4.38Å; F10-F12 HydrophobicContact CD1-CE2 4.35Å; F10-F12 PolarHBondContact O-N 2.89Å; F12-F14 HydrophobicContact CB-CD2 3.92Å; F12-F14 HydrophobicContact CB-CE2 4.26Å; F12-F14 AromaticContact CD1-CD2 3.7Å; F12-F14 HydrophobicContact CD1-CD2 3.7Å; F12-F14 AromaticContact CD1-CE2 3.24Å; F12-F14 HydrophobicContact CD1-CE2 3.24Å; F12-F14 HydrophobicContact CD1-CZ 4.06Å; F12-F14 AromaticContact CE1-CE2 3.75Å; F12-F14 HydrophobicContact CE1-CE2 3.75Å; F12-F14 HydrophobicContact CE1-CZ 4.23Å; F12-F14 HydrophobicContact CG-CD2 4.16Å; F12-F14 AromaticContact CG-CE2 3.99Å; F12-F14 HydrophobicContact CG-CE2 3.99Å; F12-F14 PolarHBondContact O-N 2.92Å | ||
| 13 | C | 36.3 | Very low | 41 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | -69.5 | 73.2 | 158.3 | -70.5 | 0 | 0 | 0 | 0 | 108.6 | V11 G15 | V11-C13 VanDerWaalsContact C-N 3.29Å; V11-C13 PolarHBondContact O-N 3.05Å; C13-G15 PolarHBondContact O-N 3.05Å | ||
| 14 | F | 37.6 | Very low | 41.7 | Very low | 171 Ų | 171 | 133.9 Ų | 133.9 | 75% | 0.75 | 76% | 0.755 | S | S | * | * | trans | -70.9 | 89.7 | 152.5 | -83.3 | -77.2 | 0 | 0 | 0 | 106.1 | F12 | F12-F14 HydrophobicContact CB-CD2 3.92Å; F12-F14 HydrophobicContact CB-CE2 4.26Å; F12-F14 AromaticContact CD1-CD2 3.7Å; F12-F14 HydrophobicContact CD1-CD2 3.7Å; F12-F14 AromaticContact CD1-CE2 3.24Å; F12-F14 HydrophobicContact CD1-CE2 3.24Å; F12-F14 HydrophobicContact CD1-CZ 4.06Å; F12-F14 AromaticContact CE1-CE2 3.75Å; F12-F14 HydrophobicContact CE1-CE2 3.75Å; F12-F14 HydrophobicContact CE1-CZ 4.23Å; F12-F14 HydrophobicContact CG-CD2 4.16Å; F12-F14 AromaticContact CG-CE2 3.99Å; F12-F14 HydrophobicContact CG-CE2 3.99Å; F12-F14 PolarHBondContact O-N 2.92Å | ||
| 15 | G | 37.6 | Very low | 42.7 | Very low | 57 Ų | 57 | 131 Ų | 131 | 59% | 0.588 | 75% | 0.745 | S | S | * | * | trans | -53.9 | 138 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108 | C13 G17 | C13-G15 PolarHBondContact O-N 3.05Å; G15-G17 VanDerWaalsContact C-N 3.33Å; G15-G17 PolarHBondContact O-N 3.4Å | ||
| 16 | P | 44.3 | Very low | 44.5 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | trans | -63.4 | 103.2 | 171.4 | 26 | -29.7 | 0 | 0 | 0 | 106.5 | N18 | P16-N18 PolarHBondContact O-N 2.87Å; P16-N18 VanDerWaalsContact O-N 3.09Å | ||
| 17 | G | 38.3 | Very low | 46.5 | Very low | 66 Ų | 66 | 120.6 Ų | 120.6 | 68% | 0.68 | 71% | 0.714 | S | S | * | * | trans | -54.2 | 118.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 105.8 | G15 L19 | G15-G17 VanDerWaalsContact C-N 3.33Å; G15-G17 PolarHBondContact O-N 3.4Å; G17-L19 VanDerWaalsContact C-N 3.3Å; G17-L19 PolarHBondContact O-N 2.81Å | ||
| 18 | N | 34.7 | Very low | 49 | Very low | 156 Ų | 156 | 120.2 Ų | 120.2 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | trans | -55.2 | 102.8 | 170.5 | -77.7 | -52.4 | 0 | 0 | 0 | 106.6 | P16 V20 | P16-N18 PolarHBondContact O-N 2.87Å; P16-N18 VanDerWaalsContact O-N 3.09Å; N18-V20 PolarHBondContact O-N 3.49Å | ||
| 19 | L | 39.4 | Very low | 51.5 | Low | 168 Ų | 168 | 117.6 Ų | 117.6 | 88% | 0.88 | 69% | 0.689 | S | S | * | * | trans | -57.1 | 99.9 | 156.8 | -90.5 | 149.8 | 0 | 0 | 0 | 104.5 | G17 S21 | G17-L19 VanDerWaalsContact C-N 3.3Å; G17-L19 PolarHBondContact O-N 2.81Å; L19-S21 PolarHBondContact O-N 3.49Å | ||
| 20 | V | 40.8 | Very low | 54.1 | Low | 124 Ų | 124 | 110.6 Ų | 110.6 | 75% | 0.752 | 65% | 0.653 | S | S | * | * | trans | -46.5 | 114.6 | 164.8 | 171.2 | 0 | 0 | 0 | 0 | 105.1 | N18 Q22 | N18-V20 PolarHBondContact O-N 3.49Å; V20-Q22 PolarHBondContact O-N 2.92Å | ||
| 21 | S | 35.3 | Very low | 56.7 | Low | 113 Ų | 113 | 106.6 Ų | 106.6 | 79% | 0.79 | 64% | 0.639 | S | S | * | * | trans | -62.2 | 93.8 | 173.6 | -175.1 | 0 | 0 | 0 | 0 | 106.2 | L19 S23 | L19-S21 PolarHBondContact O-N 3.49Å; S21-S23 PolarHBondContact O-N 3.31Å | ||
| 22 | Q | 40.9 | Very low | 59.2 | Low | 160 Ų | 160 | 101.6 Ų | 101.6 | 75% | 0.748 | 61% | 0.609 | S | S | * | * | trans | -66 | 94.7 | 169.5 | -115.4 | 177.6 | 9.5 | 0 | 0 | 105.4 | V20 S24 | V20-Q22 PolarHBondContact O-N 2.92Å; Q22-S24 VanDerWaalsContact C-N 3.26Å; Q22-S24 PolarHBondContact O-N 3.06Å | ||
| 23 | S | 47.2 | Very low | 62 | Low | 99 Ų | 99 | 95.8 Ų | 95.8 | 69% | 0.692 | 59% | 0.586 | S | S | * | * | trans | -55.4 | 99.4 | 159.8 | 171.3 | 0 | 0 | 0 | 0 | 106.4 | S21 S25 | S21-S23 PolarHBondContact O-N 3.31Å; S23-S25 PolarHBondContact O-N 2.95Å | ||
| 24 | S | 52.1 | Low | 64.8 | Low | 118 Ų | 118 | 92.9 Ų | 92.9 | 83% | 0.825 | 56% | 0.562 | S | S | * | * | trans | -75.6 | 69 | -179.8 | 54.3 | 0 | 0 | 0 | 0 | 109.3 | Q22 | Q22-S24 VanDerWaalsContact C-N 3.26Å; Q22-S24 PolarHBondContact O-N 3.06Å | ||
| 25 | S | 67.9 | Low | 67.5 | Low | 60 Ų | 60 | 86.6 Ų | 86.6 | 42% | 0.42 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 131.6 | 164.4 | 59.4 | 0 | 0 | 0 | 0 | 108.6 | S23 | S23-S25 PolarHBondContact O-N 2.95Š|
| 26 | T | 82.1 | Confident | 70.4 | Confident | 130 Ų | 130 | 89 Ų | 89 | 80% | 0.798 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 127.4 | 171.8 | 47.4 | 0 | 0 | 0 | 0 | 108.8 | ||
| 27 | P | 90.9 | Very high | 72.9 | Confident | 60 Ų | 60 | 86 Ų | 86 | 39% | 0.39 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 139.8 | -178.4 | 25.2 | -33.1 | 0 | 0 | 0 | 111 | M29 S121 | P27-M29 PolarHBondContact O-N 2.85Å; P27-S121 CarbonylContact C-O 3.57Å; P27-S121 VanDerWaalsContact CA-O 3.3Å; P27-S121 WeakPolarHBondContact CA-O 3.49Å |
| 28 | L | 95 | Very high | 75.7 | Confident | 92 Ų | 92 | 83.4 Ų | 83.4 | 48% | 0.482 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 124.9 | 176.9 | -179.7 | 65.3 | 0 | 0 | 0 | 110.1 | V30 S121 Y122 T123 | L28-V30 HydrophobicContact CD2-CG2 4.27Å; L28-V30 HydrophobicContact CG-CG2 4.18Å; L28-S121 PolarHBondContact N-O 2.86Å; L28-Y122 HydrophobicContact CB-CD1 3.93Å; L28-Y122 HydrophobicContact CB-CE1 4.37Å; L28-Y122 HydrophobicContact CD2-CD1 3.98Å; L28-Y122 HydrophobicContact CD2-CE1 3.93Å; L28-Y122 HydrophobicContact CG-CD1 4.37Å; L28-Y122 CarbonylContact O-C 3.58Å; L28-Y122 VanDerWaalsContact O-CA 3.22Å; L28-Y122 WeakPolarHBondContact O-CA 3.45Å; L28-T123 PolarHBondContact O-N 3.23Å |
| 29 | M | 95.9 | Very high | 78.6 | Confident | 79 Ų | 79 | 79.9 Ų | 79.9 | 39% | 0.389 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 125.7 | 174.1 | -66.3 | -58.9 | -35.9 | 0 | 0 | 110.2 | P27 T123 R125 | P27-M29 PolarHBondContact O-N 2.85Å; M29-T123 HydrophobicContact CE-CG2 3.65Å; M29-T123 HydrophobicContact SD-CG2 3.98Å; M29-R125 HydrophobicContact CE-CG 3.8Å |
| 30 | V | 97 | Very high | 81.4 | Confident | 21 Ų | 21 | 72 Ų | 72 | 13% | 0.127 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 130.4 | 177.2 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | L28 V38 L40 Y122 T123 L124 R125 | L28-V30 HydrophobicContact CD2-CG2 4.27Å; L28-V30 HydrophobicContact CG-CG2 4.18Å; V30-V38 HydrophobicContact CG1-CG2 3.49Å; V30-V38 VanDerWaalsContact CG1-CG2 3.49Å; V30-L40 HydrophobicContact CB-CD2 4.02Å; V30-L40 HydrophobicContact CG1-CD2 3.99Å; V30-L40 HydrophobicContact CG2-CD2 3.92Å; V30-Y122 HydrophobicContact CG2-CD1 4.11Å; V30-T123 PolarHBondContact N-O 2.77Å; V30-L124 HydrophobicContact CB-CD1 4.42Å; V30-L124 HydrophobicContact CG1-CD1 4.36Å; V30-L124 WeakPolarHBondContact O-CA 3.26Å; V30-R125 PolarHBondContact O-N 2.85Å |
| 31 | N | 96.6 | Very high | 83.9 | Confident | 68 Ų | 68 | 68.6 Ų | 68.6 | 36% | 0.364 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 134.7 | 177.5 | -56.7 | -37.8 | 0 | 0 | 0 | 109.8 | R125 F127 A200 V201 | N31-R125 CarbonylContact C-O 3.59Å; N31-R125 WeakPolarHBondContact CA-O 3.44Å; N31-F127 HydrophobicContact CB-CD2 4.11Å; N31-F127 HydrophobicContact CB-CE2 3.92Å; N31-F127 WeakPolarHBondContact OD1-CE2 3.22Å; N31-A200 HydrophobicContact CB-CB 4.46Å; N31-A200 WeakPolarHBondContact ND2-CB 3.41Å; N31-V201 HydrophobicContact CB-CG1 3.94Å |
| 32 | G | 96.3 | Very high | 86.7 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 154.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R125 I126 F127 | G32-R125 PolarHBondContact N-O 2.88Å; G32-I126 WeakPolarHBondContact O-CA 3.38Å; G32-F127 PolarHBondContact O-N 2.96Å |
| 33 | V | 95.8 | Very high | 88.8 | Confident | 25 Ų | 25 | 62.8 Ų | 62.8 | 15% | 0.152 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 132.5 | 177 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | G35 E36 F127 Q129 V201 | V33-G35 PolarHBondContact O-N 2.8Å; V33-E36 HydrophobicContact CB-CB 4.07Å; V33-E36 HydrophobicContact CB-CG 3.88Å; V33-E36 HydrophobicContact CG1-CG 3.97Å; V33-E36 PolarHBondContact O-N 3.3Å; V33-F127 WeakPolarHBondContact CA-O 3.48Å; V33-Q129 HydrophobicContact CG1-CB 4.34Å; V33-V201 HydrophobicContact CG2-CB 3.84Å; V33-V201 HydrophobicContact CG2-CG1 4.05Å; V33-V201 HydrophobicContact CG2-CG2 4.07Å |
| 34 | L | 94.9 | Very high | 90.5 | Very high | 57 Ų | 57 | 61.4 Ų | 61.4 | 30% | 0.298 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 127.9 | 177.4 | -173.8 | 73.2 | 0 | 0 | 0 | 111 | E36 L99 M101 I126 F127 R128 | L34-E36 VanDerWaalsContact C-N 3.27Å; L34-E36 PolarHBondContact O-N 2.93Å; L34-L99 WeakPolarHBondContact CD1-O 3.42Å; L34-M101 HydrophobicContact CD1-CG 3.97Å; L34-M101 HydrophobicContact CD1-SD 4.31Å; L34-I126 HydrophobicContact CB-CG2 4.24Å; L34-I126 HydrophobicContact CD1-CG2 4.16Å; L34-F127 PolarHBondContact N-O 2.83Å; L34-R128 HydrophobicContact CB-CG 4.48Å; L34-R128 HydrophobicContact CD2-CG 3.94Å |
| 35 | G | 95.4 | Very high | 91.7 | Very high | 39 Ų | 39 | 62.4 Ų | 62.4 | 40% | 0.402 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -10.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | V33 N98 L99 | V33-G35 PolarHBondContact O-N 2.8Å; G35-N98 WeakPolarHBondContact O-CA 3.27Å; G35-L99 PolarHBondContact N-O 2.89Å |
| 36 | E | 96.8 | Very high | 91.8 | Very high | 106 Ų | 106 | 64.8 Ų | 64.8 | 50% | 0.495 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -94 | -159.6 | 177.4 | -60 | -163.3 | 170.4 | 0 | 0 | 112.1 | V33 L34 S97 N98 L99 | V33-E36 HydrophobicContact CB-CB 4.07Å; V33-E36 HydrophobicContact CB-CG 3.88Å; V33-E36 HydrophobicContact CG1-CG 3.97Å; V33-E36 PolarHBondContact O-N 3.3Å; L34-E36 VanDerWaalsContact C-N 3.27Å; L34-E36 PolarHBondContact O-N 2.93Å; E36-S97 CarbonylContact O-C 3.5Å; E36-N98 WeakPolarHBondContact O-CA 3.45Å; E36-N98 PolarHBondContact O-N 2.92Å; E36-L99 WeakPolarHBondContact O-CG 3.49Å; E36-L99 PolarHBondContact O-N 2.99Å |
| 37 | S | 96.8 | Very high | 91.3 | Very high | 60 Ų | 60 | 62.6 Ų | 62.6 | 42% | 0.42 | 37% | 0.373 | S | S | . | . | trans | -125.3 | 147.3 | 177.2 | 68.4 | 0 | 0 | 0 | 0 | 112.2 | L96 | S37-L96 CarbonylContact C-O 3.5Å; S37-L96 WeakPolarHBondContact CA-O 3.39Å; S37-L96 VanDerWaalsContact CB-O 3.31Å; S37-L96 WeakPolarHBondContact CB-O 3.48Å | ||
| 38 | V | 97.1 | Very high | 90.7 | Very high | 13 Ų | 13 | 62.7 Ų | 62.7 | 8% | 0.079 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 152.8 | 174.3 | 69.9 | 0 | 0 | 0 | 0 | 110.1 | V30 K95 L96 L99 L124 | V30-V38 HydrophobicContact CG1-CG2 3.49Å; V30-V38 VanDerWaalsContact CG1-CG2 3.49Å; V38-K95 WeakPolarHBondContact O-CA 3.42Å; V38-L96 HydrophobicContact CG1-CB 4.25Å; V38-L96 PolarHBondContact N-O 3.45Å; V38-L96 PolarHBondContact O-N 3.05Å; V38-L99 HydrophobicContact CB-CD1 4Å; V38-L99 HydrophobicContact CG1-CD1 4Å; V38-L99 HydrophobicContact CG1-CD2 3.95Å; V38-L99 HydrophobicContact CG1-CG 4.48Å; V38-L124 HydrophobicContact CB-CD1 4.48Å; V38-L124 HydrophobicContact CG1-CD1 3.98Å; V38-L124 HydrophobicContact CG1-CD2 4.09Å; V38-L124 HydrophobicContact CG2-CD1 4.13Å |
| 39 | I | 97.3 | Very high | 90.3 | Very high | 81 Ų | 81 | 65 Ų | 65 | 42% | 0.415 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 124.5 | 172.8 | -60.1 | 175.2 | 0 | 0 | 0 | 108.3 | P41 T89 L94 K95 | I39-P41 WeakPolarHBondContact O-CD 3.33Å; I39-T89 HydrophobicContact CD1-CG2 4.5Å; I39-T89 HydrophobicContact CG2-CG2 4.4Å; I39-L94 CarbonylContact C-O 3.53Å; I39-L94 VanDerWaalsContact CA-O 3.26Å; I39-L94 WeakPolarHBondContact CA-O 3.38Å; I39-K95 HydrophobicContact CG1-CB 4.25Å; I39-K95 HydrophobicContact CG1-CD 4.48Å; I39-K95 HydrophobicContact CG1-CG 4.09Å |
| 40 | L | 97.1 | Very high | 90 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.016 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 106.1 | 168.6 | -52.4 | -175.9 | 0 | 0 | 0 | 107.7 | V30 L42 W55 S93 L94 Y107 Y122 | V30-L40 HydrophobicContact CB-CD2 4.02Å; V30-L40 HydrophobicContact CG1-CD2 3.99Å; V30-L40 HydrophobicContact CG2-CD2 3.92Å; L40-L42 PolarHBondContact O-N 3.45Å; L40-W55 HydrophobicContact CB-CH2 3.68Å; L40-W55 HydrophobicContact CB-CZ3 4.01Å; L40-W55 HydrophobicContact CD1-CH2 4.44Å; L40-W55 HydrophobicContact CD1-CZ3 3.91Å; L40-S93 WeakPolarHBondContact O-CA 3.26Å; L40-S93 VanDerWaalsContact O-CB 3.29Å; L40-S93 WeakPolarHBondContact O-CB 3.48Å; L40-L94 HydrophobicContact CB-CB 4.14Å; L40-L94 HydrophobicContact CD1-CD2 3.88Å; L40-L94 HydrophobicContact CG-CB 4.46Å; L40-L94 PolarHBondContact N-O 3.11Å; L40-L94 PolarHBondContact O-N 3.38Å; L40-Y107 VanDerWaalsContact CD1-CB 3.47Å; L40-Y107 HydrophobicContact CD1-CD1 3.89Å; L40-Y107 HydrophobicContact CD1-CD2 4.28Å; L40-Y107 HydrophobicContact CD1-CG 3.62Å; L40-Y122 HydrophobicContact CB-CD1 4.27Å; L40-Y122 HydrophobicContact CB-CE1 4.38Å; L40-Y122 HydrophobicContact CB-CG 4.38Å; L40-Y122 HydrophobicContact CD1-CD2 4.45Å; L40-Y122 HydrophobicContact CD1-CG 4.33Å; L40-Y122 HydrophobicContact CD2-CD1 4.41Å; L40-Y122 HydrophobicContact CD2-CG 4.46Å |
| 41 | P | 94.7 | Very high | 89.8 | Confident | 52 Ų | 52 | 66.6 Ų | 66.6 | 34% | 0.338 | 38% | 0.384 | S | S | . | . | trans | -71.5 | 129 | -170.6 | 28.6 | -34.2 | 0 | 0 | 0 | 110.4 | I39 Y122 | I39-P41 WeakPolarHBondContact O-CD 3.33Å; P41-Y122 HydrophobicContact CG-CE1 4.38Å; P41-Y122 PolarHBondContact O-OH 2.87Å | ||
| 42 | L | 92.6 | Very high | 89.7 | Confident | 10 Ų | 10 | 64.1 Ų | 64.1 | 5% | 0.052 | 37% | 0.372 | C | S | . | . | trans | -97.3 | 131.9 | 172.6 | -165.5 | 64.4 | 0 | 0 | 0 | 110.3 | L40 F44 I53 W55 S93 A109 I111 | L40-L42 PolarHBondContact O-N 3.45Å; L42-F44 HydrophobicContact CD2-CD1 4.4Å; L42-F44 HydrophobicContact CD2-CE1 4.38Å; L42-F44 HydrophobicContact CG-CD1 4.31Å; L42-I53 HydrophobicContact CD2-CD1 3.85Å; L42-I53 HydrophobicContact CD2-CG2 3.89Å; L42-W55 HydrophobicContact CB-CZ2 4.28Å; L42-W55 HydrophobicContact CD1-CZ2 4.2Å; L42-S93 PolarHBondContact N-OG 2.87Å; L42-A109 HydrophobicContact CD1-CB 3.31Å; L42-I111 HydrophobicContact CD1-CD1 3.78Å; L42-I111 HydrophobicContact CD1-CG1 4.11Å; L42-I111 HydrophobicContact CD2-CD1 4.41Å; L42-I111 HydrophobicContact CD2-CG1 4.43Å; L42-I111 HydrophobicContact CG-CD1 4.11Å | ||
| 43 | E | 86.6 | Confident | 89.7 | Confident | 142 Ų | 142 | 63.9 Ų | 63.9 | 66% | 0.664 | 37% | 0.37 | S | S | * | . | trans | -126.5 | 124.5 | -179 | -66.2 | -176.8 | -178.2 | 0 | 0 | 111.8 | K118 | E43-K118 PolarHBondContact O-NZ 3.27Š| ||
| 44 | F | 82.6 | Confident | 89.7 | Confident | 69 Ų | 69 | 63.8 Ų | 63.8 | 30% | 0.303 | 37% | 0.37 | S | S | . | . | trans | -143.8 | 159.9 | 175.1 | 53.6 | -93.5 | 0 | 0 | 0 | 110.1 | L42 I50 Y92 I111 | L42-F44 HydrophobicContact CD2-CD1 4.4Å; L42-F44 HydrophobicContact CD2-CE1 4.38Å; L42-F44 HydrophobicContact CG-CD1 4.31Å; F44-I50 HydrophobicContact CB-CD1 4.21Å; F44-I50 HydrophobicContact CD1-CD1 3.72Å; F44-I50 HydrophobicContact CD2-CD1 3.45Å; F44-I50 VanDerWaalsContact CD2-CD1 3.45Å; F44-I50 HydrophobicContact CD2-CG1 4.46Å; F44-I50 HydrophobicContact CE1-CD1 3.82Å; F44-I50 HydrophobicContact CE2-CD1 3.54Å; F44-I50 HydrophobicContact CG-CD1 3.53Å; F44-I50 HydrophobicContact CZ-CD1 3.73Å; F44-Y92 HydrophobicContact CE1-CD2 4.32Å; F44-Y92 HydrophobicContact CZ-CD2 4.22Å; F44-I111 HydrophobicContact CB-CD1 4.31Å | ||
| 45 | H | 76.9 | Confident | 89.8 | Confident | 140 Ų | 140 | 61.1 Ų | 61.1 | 65% | 0.648 | 36% | 0.356 | S | S | * | . | trans | -72.8 | 137.9 | -174.9 | -65.9 | -72.9 | 0 | 0 | 0 | 110.9 | G47 E48 | H45-G47 PolarHBondContact O-N 2.93Å; H45-E48 HydrophobicContact CB-CB 4.49Å; H45-E48 IonicContact CD2-OE2 3.73Å; H45-E48 WeakPolarHBondContact O-CB 3.32Å; H45-E48 PolarHBondContact O-N 3Å | ||
| 46 | A | 69.4 | Low | 89.7 | Confident | 110 Ų | 110 | 60.7 Ų | 60.7 | 91% | 0.909 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 124.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 47 | G | 71.1 | Confident | 89.6 | Confident | 83 Ų | 83 | 56.3 Ų | 56.3 | 86% | 0.856 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.6 | -2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | H45 | H45-G47 PolarHBondContact O-N 2.93Š|
| 48 | E | 79.7 | Confident | 89.3 | Confident | 62 Ų | 62 | 58.1 Ų | 58.1 | 29% | 0.29 | 33% | 0.33 | S | S | . | . | trans | -76.7 | 122.9 | 172.1 | -166.7 | 171.4 | -168.4 | 0 | 0 | 110.2 | H45 I50 T113 | H45-E48 HydrophobicContact CB-CB 4.49Å; H45-E48 IonicContact CD2-OE2 3.73Å; H45-E48 WeakPolarHBondContact O-CB 3.32Å; H45-E48 PolarHBondContact O-N 3Å; E48-I50 PolarHBondContact O-N 3.46Å; E48-T113 HydrophobicContact CG-CG2 3.84Å; E48-T113 WeakPolarHBondContact OE1-CG2 3.45Å | ||
| 49 | M | 85.5 | Confident | 88.9 | Confident | 141 Ų | 141 | 60.6 Ų | 60.6 | 70% | 0.695 | 36% | 0.358 | S | S | * | . | trans | -76.7 | 105.7 | 177.3 | -70.1 | -143.9 | -63.7 | 0 | 0 | 110.3 | ||||
| 50 | I | 90.9 | Very high | 88.7 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 13% | 0.128 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 119.8 | 177.7 | -58.9 | 173.9 | 0 | 0 | 0 | 109.2 | F44 E48 I53 P67 I111 | F44-I50 HydrophobicContact CB-CD1 4.21Å; F44-I50 HydrophobicContact CD1-CD1 3.72Å; F44-I50 HydrophobicContact CD2-CD1 3.45Å; F44-I50 VanDerWaalsContact CD2-CD1 3.45Å; F44-I50 HydrophobicContact CD2-CG1 4.46Å; F44-I50 HydrophobicContact CE1-CD1 3.82Å; F44-I50 HydrophobicContact CE2-CD1 3.54Å; F44-I50 HydrophobicContact CG-CD1 3.53Å; F44-I50 HydrophobicContact CZ-CD1 3.73Å; E48-I50 PolarHBondContact O-N 3.46Å; I50-I53 HydrophobicContact CD1-CD1 4.42Å; I50-I53 HydrophobicContact CG2-CD1 4.18Å; I50-I53 HydrophobicContact CG2-CG1 3.65Å; I50-P67 HydrophobicContact CB-CG 4.25Å; I50-P67 HydrophobicContact CG2-CG 3.93Å; I50-I111 HydrophobicContact CD1-CG2 4Å; I50-I111 HydrophobicContact CG1-CG2 3.99Å; I50-I111 HydrophobicContact CG2-CG2 3.88Å |
| 51 | E | 92.6 | Very high | 88.4 | Confident | 108 Ų | 108 | 62.5 Ų | 62.5 | 51% | 0.505 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | -45.2 | 174.7 | -63.2 | -173.8 | 159.9 | 0 | 0 | 111 | T112 E114 | E51-T112 PolarHBondContact N-O 3.4Å; E51-E114 VanDerWaalsContact OE1-CA 3.32Å; E51-E114 WeakPolarHBondContact OE1-CA 3.35Å |
| 52 | S | 94.4 | Very high | 88.4 | Confident | 16 Ų | 16 | 60.1 Ų | 60.1 | 11% | 0.112 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 157.4 | 178.5 | 61.7 | 0 | 0 | 0 | 0 | 113.3 | F64 I65 T112 | S52-F64 VanDerWaalsContact CB-CZ 3.42Å; S52-I65 WeakPolarHBondContact CA-O 3.31Å; S52-T112 PolarHBondContact N-O 2.8Å; S52-T112 PolarHBondContact O-N 3.08Å |
| 53 | I | 95.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.4 | 173.5 | -54 | 166.4 | 0 | 0 | 0 | 108.2 | L42 I50 I65 P67 Y92 Q110 | L42-I53 HydrophobicContact CD2-CD1 3.85Å; L42-I53 HydrophobicContact CD2-CG2 3.89Å; I50-I53 HydrophobicContact CD1-CD1 4.42Å; I50-I53 HydrophobicContact CG2-CD1 4.18Å; I50-I53 HydrophobicContact CG2-CG1 3.65Å; I53-I65 HydrophobicContact CB-CB 4.2Å; I53-I65 PolarHBondContact N-O 3.15Å; I53-I65 PolarHBondContact O-N 3.21Å; I53-P67 HydrophobicContact CD1-CG 4.16Å; I53-P67 HydrophobicContact CG1-CG 4.4Å; I53-Y92 HydrophobicContact CD1-CD2 3.66Å; I53-Y92 HydrophobicContact CD1-CG 3.72Å; I53-Q110 CarbonylContact C-O 3.52Å; I53-Q110 WeakPolarHBondContact CA-O 3.46Å |
| 54 | T | 95.9 | Very high | 88.9 | Confident | 23 Ų | 23 | 56.5 Ų | 56.5 | 14% | 0.141 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 119.9 | 174.1 | -54.5 | 0 | 0 | 0 | 0 | 109.8 | L56 A63 F64 Q110 | T54-L56 HydrophobicContact CG2-CD2 4.03Å; T54-L56 HydrophobicContact CG2-CG 4.42Å; T54-A63 WeakPolarHBondContact CA-O 3.48Å; T54-F64 WeakPolarHBondContact OG1-CD2 3.42Å; T54-Q110 PolarHBondContact N-O 3.04Å; T54-Q110 PolarHBondContact O-N 2.94Å |
| 55 | W | 96.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 135 | 170.4 | -82 | 96.2 | 0 | 0 | 0 | 110.2 | L40 L42 L62 A63 F88 Y92 L94 S108 A109 Y122 | L40-W55 HydrophobicContact CB-CH2 3.68Å; L40-W55 HydrophobicContact CB-CZ3 4.01Å; L40-W55 HydrophobicContact CD1-CH2 4.44Å; L40-W55 HydrophobicContact CD1-CZ3 3.91Å; L42-W55 HydrophobicContact CB-CZ2 4.28Å; L42-W55 HydrophobicContact CD1-CZ2 4.2Å; W55-L62 HydrophobicContact CB-CB 4.18Å; W55-L62 WeakPolarHBondContact O-CB 3.5Å; W55-L62 PolarHBondContact O-N 2.99Å; W55-A63 PolarHBondContact N-O 3.36Å; W55-A63 PolarHBondContact O-N 3.32Å; W55-F88 AromaticContact CD1-CE1 3.58Å; W55-F88 HydrophobicContact CG-CE1 4.25Å; W55-F88 AromaticContact NE1-CE1 3.96Å; W55-Y92 PolarHBondContact NE1-O 3.33Å; W55-Y92 VanDerWaalsContact NE1-O 3.12Å; W55-L94 HydrophobicContact CB-CD1 4.49Å; W55-L94 HydrophobicContact CD2-CB 3.88Å; W55-L94 HydrophobicContact CD2-CD1 4.2Å; W55-L94 HydrophobicContact CD2-CD2 4.27Å; W55-L94 HydrophobicContact CD2-CG 4.36Å; W55-L94 HydrophobicContact CE3-CB 3.99Å; W55-L94 HydrophobicContact CE3-CD2 3.89Å; W55-L94 HydrophobicContact CE3-CG 4.41Å; W55-L94 HydrophobicContact CG-CD1 4.13Å; W55-L94 HydrophobicContact CH2-CB 3.78Å; W55-L94 HydrophobicContact CZ2-CB 3.66Å; W55-L94 HydrophobicContact CZ3-CB 3.95Å; W55-L94 HydrophobicContact CZ3-CD2 4.2Å; W55-S108 CarbonylContact C-O 3.58Å; W55-S108 WeakPolarHBondContact CA-O 3.46Å; W55-A109 HydrophobicContact CD2-CB 3.89Å; W55-A109 HydrophobicContact CE3-CB 3.9Å; W55-A109 HydrophobicContact CH2-CB 3.77Å; W55-A109 HydrophobicContact CZ2-CB 3.74Å; W55-A109 HydrophobicContact CZ3-CB 3.85Å; W55-Y122 HydrophobicContact CH2-CD2 4.4Å; W55-Y122 AromaticContact CH2-CE2 3.86Å; W55-Y122 HydrophobicContact CH2-CE2 3.86Å; W55-Y122 HydrophobicContact CZ3-CD2 4.11Å; W55-Y122 AromaticContact CZ3-CE2 3.96Å; W55-Y122 HydrophobicContact CZ3-CE2 3.96Å |
| 56 | L | 94.7 | Very high | 90.3 | Very high | 30 Ų | 30 | 50.4 Ų | 50.4 | 16% | 0.157 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 141.3 | -178.6 | -56.8 | 166.8 | 0 | 0 | 0 | 109.4 | T54 T60 Y107 S108 | T54-L56 HydrophobicContact CG2-CD2 4.03Å; T54-L56 HydrophobicContact CG2-CG 4.42Å; L56-T60 CarbonylContact C-O 3.59Å; L56-T60 VanDerWaalsContact CA-O 3.26Å; L56-T60 WeakPolarHBondContact CA-O 3.29Å; L56-Y107 VanDerWaalsContact O-CA 3.31Å; L56-Y107 WeakPolarHBondContact O-CA 3.46Å; L56-S108 PolarHBondContact N-O 3Å; L56-S108 PolarHBondContact O-N 2.8Å |
| 57 | C | 93.2 | Very high | 91.3 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 10% | 0.095 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 121.2 | 169.6 | 175.2 | 0 | 0 | 0 | 0 | 108.1 | G59 T60 L62 S106 Y107 | C57-G59 PolarHBondContact O-N 3.35Å; C57-G59 VanDerWaalsContact O-N 3.11Å; C57-T60 PolarHBondContact N-O 3.09Å; C57-T60 PolarHBondContact O-N 2.89Å; C57-L62 HydrophobicContact CB-CD1 3.51Å; C57-L62 HydrophobicContact CB-CD2 3.54Å; C57-L62 HydrophobicContact CB-CG 3.52Å; C57-S106 CarbonylContact C-O 3.59Å; C57-S106 WeakPolarHBondContact CA-O 3.21Å; C57-Y107 HydrophobicContact CB-CD1 4.1Å; C57-Y107 HydrophobicContact CB-CE1 3.88Å |
| 58 | N | 91.6 | Very high | 92 | Very high | 99 Ų | 99 | 44.6 Ų | 44.6 | 53% | 0.529 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 39 | -176.6 | -60.7 | -33 | 0 | 0 | 0 | 112.4 | T60 S106 | N58-T60 VanDerWaalsContact C-N 3.29Å; N58-T60 PolarHBondContact O-N 3.48Å; N58-S106 PolarHBondContact N-O 2.8Å; N58-S106 PolarHBondContact OD1-N 3.45Å; N58-S106 PolarHBondContact OD1-O 2.93Å |
| 59 | G | 88.9 | Confident | 91.9 | Very high | 65 Ų | 65 | 50.7 Ų | 50.7 | 67% | 0.67 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -5.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | C57 | C57-G59 PolarHBondContact O-N 3.35Å; C57-G59 VanDerWaalsContact O-N 3.11Å |
| 60 | T | 91.4 | Very high | 91.6 | Very high | 84 Ų | 84 | 50.1 Ų | 50.1 | 52% | 0.515 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 138.7 | 178 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | L56 C57 N58 L62 | L56-T60 CarbonylContact C-O 3.59Å; L56-T60 VanDerWaalsContact CA-O 3.26Å; L56-T60 WeakPolarHBondContact CA-O 3.29Å; C57-T60 PolarHBondContact N-O 3.09Å; C57-T60 PolarHBondContact O-N 2.89Å; N58-T60 VanDerWaalsContact C-N 3.29Å; N58-T60 PolarHBondContact O-N 3.48Å; T60-L62 PolarHBondContact O-N 2.84Å |
| 61 | S | 92.6 | Very high | 91.2 | Very high | 40 Ų | 40 | 56.4 Ų | 56.4 | 28% | 0.28 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 125.2 | 175.8 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | T78 | S61-T78 WeakPolarHBondContact CB-OG1 3.4Å; S61-T78 PolarHBondContact O-OG1 2.91Å; S61-T78 PolarHBondContact OG-OG1 2.91Å |
| 62 | L | 93.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -49 | 171 | -71 | 178.3 | 0 | 0 | 0 | 111.6 | W55 C57 T60 V77 T78 H79 L94 Y107 | W55-L62 HydrophobicContact CB-CB 4.18Å; W55-L62 WeakPolarHBondContact O-CB 3.5Å; W55-L62 PolarHBondContact O-N 2.99Å; C57-L62 HydrophobicContact CB-CD1 3.51Å; C57-L62 HydrophobicContact CB-CD2 3.54Å; C57-L62 HydrophobicContact CB-CG 3.52Å; T60-L62 PolarHBondContact O-N 2.84Å; L62-V77 WeakPolarHBondContact O-CG1 3.26Å; L62-T78 PolarHBondContact O-N 2.92Å; L62-T78 PolarHBondContact O-OG1 2.99Å; L62-T78 VanDerWaalsContact O-OG1 3.09Å; L62-H79 HydrophobicContact CD2-CB 3.93Å; L62-H79 PolarHBondContact O-N 3.41Å; L62-L94 HydrophobicContact CD1-CD2 4.08Å; L62-Y107 HydrophobicContact CD1-CD1 3.81Å; L62-Y107 HydrophobicContact CD1-CE1 3.8Å |
| 63 | A | 94.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 150.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T54 W55 H76 V77 T78 L86 F88 | T54-A63 WeakPolarHBondContact CA-O 3.48Å; W55-A63 PolarHBondContact N-O 3.36Å; W55-A63 PolarHBondContact O-N 3.32Å; A63-H76 CarbonylContact C-O 3.57Å; A63-H76 VanDerWaalsContact CA-O 3.27Å; A63-H76 WeakPolarHBondContact CA-O 3.43Å; A63-V77 HydrophobicContact CB-CG2 4.47Å; A63-T78 PolarHBondContact N-OG1 2.8Å; A63-L86 HydrophobicContact CB-CD2 4.3Å; A63-F88 HydrophobicContact CB-CE1 4.37Å; A63-F88 HydrophobicContact CB-CE2 4.04Å; A63-F88 HydrophobicContact CB-CZ 3.44Å; A63-F88 VanDerWaalsContact CB-CZ 3.44Å |
| 64 | F | 95.3 | Very high | 90.4 | Very high | 77 Ų | 77 | 63 Ų | 63 | 34% | 0.338 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.2 | 168.7 | -178 | -94 | 0 | 0 | 0 | 109.1 | S52 T54 E66 H76 | S52-F64 VanDerWaalsContact CB-CZ 3.42Å; T54-F64 WeakPolarHBondContact OG1-CD2 3.42Å; F64-E66 HydrophobicContact CE1-CB 4.45Å; F64-H76 HydrophobicContact CB-CB 4.45Å; F64-H76 PolarHBondContact N-O 3.44Å; F64-H76 PolarHBondContact O-N 3.2Å |
| 65 | I | 94.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 127.6 | -177 | -53.7 | 173.2 | 0 | 0 | 0 | 108 | S52 I53 P67 P73 K74 I75 F88 Y92 | S52-I65 WeakPolarHBondContact CA-O 3.31Å; I53-I65 HydrophobicContact CB-CB 4.2Å; I53-I65 PolarHBondContact N-O 3.15Å; I53-I65 PolarHBondContact O-N 3.21Å; I65-P67 WeakPolarHBondContact O-CD 3.13Å; I65-P73 HydrophobicContact CG2-CB 4.5Å; I65-K74 WeakPolarHBondContact CA-O 3.49Å; I65-I75 HydrophobicContact CG1-CG1 4.28Å; I65-I75 HydrophobicContact CG1-CG2 4.31Å; I65-I75 HydrophobicContact CG2-CG1 4.17Å; I65-F88 HydrophobicContact CD1-CD1 3.62Å; I65-F88 HydrophobicContact CD1-CE1 3.72Å; I65-F88 HydrophobicContact CD1-CG 4.06Å; I65-F88 HydrophobicContact CD1-CZ 4.26Å; I65-Y92 HydrophobicContact CG2-CD1 3.87Å; I65-Y92 HydrophobicContact CG2-CE1 4.12Å |
| 66 | E | 93.8 | Very high | 90 | Very high | 81 Ų | 81 | 70.1 Ų | 70.1 | 38% | 0.379 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 100.1 | 169.1 | -169.7 | -174.7 | -163 | 0 | 0 | 107.3 | F64 K74 | F64-E66 HydrophobicContact CE1-CB 4.45Å; E66-K74 HydrophobicContact CB-CB 4.27Å; E66-K74 PolarHBondContact N-O 2.95Å; E66-K74 PolarHBondContact O-N 2.85Å; E66-K74 IonicContact OE1-NZ 3.9Å; E66-K74 WeakPolarHBondContact OE2-CD 3.36Å; E66-K74 IonicContact OE2-NZ 2.74Å; E66-K74 PolarHBondContact OE2-NZ 3.46Å |
| 67 | P | 90.7 | Very high | 89.8 | Confident | 29 Ų | 29 | 70.8 Ų | 70.8 | 19% | 0.188 | 39% | 0.393 | C | S | . | . | trans | -59.9 | 149.6 | 177.2 | -23.8 | 36.1 | 0 | 0 | 0 | 111.4 | I50 I53 I65 Y92 | I50-P67 HydrophobicContact CB-CG 4.25Å; I50-P67 HydrophobicContact CG2-CG 3.93Å; I53-P67 HydrophobicContact CD1-CG 4.16Å; I53-P67 HydrophobicContact CG1-CG 4.4Å; I65-P67 WeakPolarHBondContact O-CD 3.13Å; P67-Y92 HydrophobicContact CB-CE2 4.11Å; P67-Y92 HydrophobicContact CG-CE2 4.29Å | ||
| 68 | S | 85.3 | Confident | 89.4 | Confident | 42 Ų | 42 | 73.7 Ų | 73.7 | 29% | 0.294 | 41% | 0.411 | S | S | . | . | trans | -145.1 | 132 | 171.7 | -169.7 | 0 | 0 | 0 | 0 | 109.7 | K71 | S68-K71 VanDerWaalsContact O-O 3.11Å; S68-K71 PolarHBondContact OG-N 3.07Å | ||
| 69 | E | 78.2 | Confident | 88.8 | Confident | 190 Ų | 190 | 71.3 Ų | 71.3 | 89% | 0.888 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -79.6 | -27.3 | 176.8 | -62.5 | -169.7 | 172 | 0 | 0 | 112.5 | ||
| 70 | T | 79.6 | Confident | 88 | Confident | 128 Ų | 128 | 73.5 Ų | 73.5 | 79% | 0.785 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -102.3 | -17.9 | -172.8 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 71 | K | 83 | Confident | 87.1 | Confident | 157 Ų | 157 | 77 Ų | 77 | 68% | 0.683 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -131.2 | 169.3 | -178 | -63.9 | -179.8 | -176.9 | 175.1 | 0 | 109.9 | S68 | S68-K71 VanDerWaalsContact O-O 3.11Å; S68-K71 PolarHBondContact OG-N 3.07Å |
| 72 | S | 84 | Confident | 86.1 | Confident | 99 Ų | 99 | 75.7 Ų | 75.7 | 69% | 0.692 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 138 | 166.8 | 55.8 | 0 | 0 | 0 | 0 | 110.1 | ||
| 73 | P | 89.9 | Confident | 85.3 | Confident | 46 Ų | 46 | 84.2 Ų | 84.2 | 30% | 0.299 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 143.8 | 177 | 27.3 | -35.6 | 0 | 0 | 0 | 110.3 | I65 I75 Y92 | I65-P73 HydrophobicContact CG2-CB 4.5Å; P73-I75 HydrophobicContact CG-CD1 4.5Å; P73-Y92 HydrophobicContact CB-CE1 3.75Å; P73-Y92 HydrophobicContact CG-CE1 3.96Å |
| 74 | K | 91.9 | Very high | 84.8 | Confident | 117 Ų | 117 | 93.9 Ų | 93.9 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 121.1 | 173.5 | -56.4 | -169.3 | -152.4 | 127.7 | 0 | 108.7 | I65 E66 | I65-K74 WeakPolarHBondContact CA-O 3.49Å; E66-K74 HydrophobicContact CB-CB 4.27Å; E66-K74 PolarHBondContact N-O 2.95Å; E66-K74 PolarHBondContact O-N 2.85Å; E66-K74 IonicContact OE1-NZ 3.9Å; E66-K74 WeakPolarHBondContact OE2-CD 3.36Å; E66-K74 IonicContact OE2-NZ 2.74Å; E66-K74 PolarHBondContact OE2-NZ 3.46Å |
| 75 | I | 92 | Very high | 84.6 | Confident | 69 Ų | 69 | 91.6 Ų | 91.6 | 35% | 0.354 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 117.9 | -177.8 | -57.6 | 176.7 | 0 | 0 | 0 | 108.6 | I65 P73 V77 F88 | I65-I75 HydrophobicContact CG1-CG1 4.28Å; I65-I75 HydrophobicContact CG1-CG2 4.31Å; I65-I75 HydrophobicContact CG2-CG1 4.17Å; P73-I75 HydrophobicContact CG-CD1 4.5Å; I75-V77 HydrophobicContact CG2-CG2 4.26Å; I75-F88 HydrophobicContact CD1-CB 4.29Å; I75-F88 HydrophobicContact CD1-CD2 3.92Å; I75-F88 HydrophobicContact CD1-CG 4.34Å; I75-F88 HydrophobicContact CG2-CD2 3.81Å; I75-F88 HydrophobicContact CG2-CE2 3.61Å |
| 76 | H | 91.3 | Very high | 84.5 | Confident | 104 Ų | 104 | 92 Ų | 92 | 48% | 0.481 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 98.7 | 177.2 | -63.6 | -76 | 0 | 0 | 0 | 109.3 | A63 F64 T78 | A63-H76 CarbonylContact C-O 3.57Å; A63-H76 VanDerWaalsContact CA-O 3.27Å; A63-H76 WeakPolarHBondContact CA-O 3.43Å; F64-H76 HydrophobicContact CB-CB 4.45Å; F64-H76 PolarHBondContact N-O 3.44Å; F64-H76 PolarHBondContact O-N 3.2Å; H76-T78 PolarHBondContact O-N 3.02Å |
| 77 | V | 90.6 | Very high | 84.4 | Confident | 45 Ų | 45 | 92.4 Ų | 92.4 | 27% | 0.273 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 118 | 174.6 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | L62 A63 I75 R83 L86 | L62-V77 WeakPolarHBondContact O-CG1 3.26Å; A63-V77 HydrophobicContact CB-CG2 4.47Å; I75-V77 HydrophobicContact CG2-CG2 4.26Å; V77-R83 HydrophobicContact CB-CG 4.4Å; V77-R83 HydrophobicContact CG1-CB 4.16Å; V77-R83 HydrophobicContact CG1-CG 4.22Å; V77-L86 HydrophobicContact CG1-CD2 3.99Å; V77-L86 HydrophobicContact CG2-CD2 4.32Å |
| 78 | T | 84.8 | Confident | 84.6 | Confident | 75 Ų | 75 | 92.9 Ų | 92.9 | 46% | 0.46 | 47% | 0.465 | S | S | . | . | trans | -93.8 | -23.3 | -175.7 | 41.6 | 0 | 0 | 0 | 0 | 112.3 | S61 L62 A63 H76 P80 | S61-T78 WeakPolarHBondContact CB-OG1 3.4Å; S61-T78 PolarHBondContact O-OG1 2.91Å; S61-T78 PolarHBondContact OG-OG1 2.91Å; L62-T78 PolarHBondContact O-N 2.92Å; L62-T78 PolarHBondContact O-OG1 2.99Å; L62-T78 VanDerWaalsContact O-OG1 3.09Å; A63-T78 PolarHBondContact N-OG1 2.8Å; H76-T78 PolarHBondContact O-N 3.02Å; T78-P80 WeakPolarHBondContact O-CD 3.35Å | ||
| 79 | H | 78.3 | Confident | 85 | Confident | 49 Ų | 49 | 92.9 Ų | 92.9 | 23% | 0.227 | 46% | 0.464 | C | S | . | . | trans | -91 | 115.4 | -178.9 | -160.8 | -105.3 | 0 | 0 | 0 | 112.8 | L62 K81 Q82 R83 | L62-H79 HydrophobicContact CD2-CB 3.93Å; L62-H79 PolarHBondContact O-N 3.41Å; H79-K81 PolarHBondContact O-N 2.84Å; H79-Q82 PolarHBondContact CE1-OE1 3.12Å; H79-Q82 PolarHBondContact ND1-OE1 3.18Å; H79-R83 PolarHBondContact O-N 2.9Å | ||
| 80 | P | 72.8 | Confident | 85.5 | Confident | 110 Ų | 110 | 92.2 Ų | 92.2 | 71% | 0.714 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -36 | -169.4 | 24.8 | -33 | 0 | 0 | 0 | 113.9 | T78 | T78-P80 WeakPolarHBondContact O-CD 3.35Š|
| 81 | K | 72.9 | Confident | 85.9 | Confident | 157 Ų | 157 | 88.6 Ų | 88.6 | 68% | 0.683 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -40 | -177.5 | -71.8 | -172.8 | 174.1 | -172.8 | 0 | 112.8 | H79 | H79-K81 PolarHBondContact O-N 2.84Š|
| 82 | Q | 71.5 | Confident | 86.4 | Confident | 13 Ų | 13 | 82.6 Ų | 82.6 | 6% | 0.061 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -3.6 | -172.2 | -74.1 | 157.4 | -21.1 | 0 | 0 | 113.3 | H79 K84 R85 L86 D103 | H79-Q82 PolarHBondContact CE1-OE1 3.12Å; H79-Q82 PolarHBondContact ND1-OE1 3.18Å; Q82-K84 PolarHBondContact O-N 3.39Å; Q82-R85 PolarHBondContact O-N 3.02Å; Q82-L86 WeakPolarHBondContact O-CB 3.47Å; Q82-L86 PolarHBondContact O-N 2.74Å; Q82-D103 PolarHBondContact NE2-OD1 2.94Å; Q82-D103 VanDerWaalsContact NE2-OD1 3.09Å |
| 83 | R | 75.9 | Confident | 87 | Confident | 181 Ų | 181 | 78.2 Ų | 78.2 | 68% | 0.683 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -33.7 | -174.6 | -174.1 | 176.1 | 178 | 176.1 | 1.3 | 115.1 | V77 H79 | V77-R83 HydrophobicContact CB-CG 4.4Å; V77-R83 HydrophobicContact CG1-CB 4.16Å; V77-R83 HydrophobicContact CG1-CG 4.22Å; H79-R83 PolarHBondContact O-N 2.9Å |
| 84 | K | 83.4 | Confident | 87.2 | Confident | 202 Ų | 202 | 76 Ų | 76 | 88% | 0.878 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -20.5 | 179.9 | -65.3 | -176.1 | -179.8 | 179.4 | 0 | 113.7 | Q82 | Q82-K84 PolarHBondContact O-N 3.39Š|
| 85 | R | 91.9 | Very high | 87.4 | Confident | 29 Ų | 29 | 74.3 Ų | 74.3 | 11% | 0.109 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -16.5 | -172.5 | -67.9 | 172.5 | 59.3 | -142.2 | -20.6 | 112.2 | Q82 L96 S97 N98 E100 D103 | Q82-R85 PolarHBondContact O-N 3.02Å; R85-L96 HydrophobicContact CB-CD1 4.32Å; R85-S97 WeakPolarHBondContact CA-OG 3.4Å; R85-S97 WeakPolarHBondContact CB-O 3.44Å; R85-S97 PolarHBondContact NE-O 2.53Å; R85-S97 PolarHBondContact NH2-O 2.94Å; R85-S97 PolarHBondContact O-N 2.97Å; R85-S97 PolarHBondContact O-OG 3.3Å; R85-N98 PolarHBondContact NE-O 2.89Å; R85-N98 PolarHBondContact NH2-O 2.79Å; R85-E100 IonicContact CZ-OE1 3.41Å; R85-E100 IonicContact NE-OE1 3.8Å; R85-E100 IonicContact NH1-OE1 2.75Å; R85-E100 PolarHBondContact NH1-OE1 2.92Å; R85-E100 IonicContact NH1-OE2 3.98Å; R85-D103 IonicContact CZ-OD2 3.42Å; R85-D103 IonicContact NH1-OD1 2.8Å; R85-D103 IonicContact NH1-OD2 3.85Å; R85-D103 PolarHBondContact NH1-OD2 3.32Å; R85-D103 IonicContact NH2-OD1 3.84Å; R85-D103 IonicContact NH2-OD2 3.35Å; R85-D103 PolarHBondContact NH2-OD2 2.81Å |
| 86 | L | 92.6 | Very high | 87.6 | Confident | 8 Ų | 8 | 71.2 Ų | 71.2 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131.5 | 179.3 | -154.4 | 69.5 | 0 | 0 | 0 | 111.4 | A63 V77 Q82 F88 L94 L96 | A63-L86 HydrophobicContact CB-CD2 4.3Å; V77-L86 HydrophobicContact CG1-CD2 3.99Å; V77-L86 HydrophobicContact CG2-CD2 4.32Å; Q82-L86 WeakPolarHBondContact O-CB 3.47Å; Q82-L86 PolarHBondContact O-N 2.74Å; L86-F88 HydrophobicContact CD2-CE2 4.02Å; L86-F88 HydrophobicContact CD2-CZ 3.71Å; L86-F88 HydrophobicContact CG-CE2 4.23Å; L86-F88 HydrophobicContact CG-CZ 4.04Å; L86-L94 HydrophobicContact CD1-CD1 3.43Å; L86-L94 VanDerWaalsContact CD1-CD1 3.43Å; L86-L94 HydrophobicContact CD1-CD2 4.4Å; L86-L94 HydrophobicContact CD1-CG 4.06Å; L86-L94 HydrophobicContact CD2-CD1 4.35Å; L86-L94 HydrophobicContact CG-CD1 3.96Å; L86-L96 HydrophobicContact CD1-CD1 3.93Å |
| 87 | N | 92.9 | Very high | 87.8 | Confident | 90 Ų | 90 | 67.8 Ų | 67.8 | 48% | 0.481 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 167.5 | 170 | -80.8 | -53.9 | 0 | 0 | 0 | 109.9 | K95 | N87-K95 HydrophobicContact CB-CB 4.26Å; N87-K95 PolarHBondContact N-O 3.18Å; N87-K95 WeakPolarHBondContact O-CA 3Å; N87-K95 PolarHBondContact O-N 2.63Å; N87-K95 VanDerWaalsContact O-O 3.1Å |
| 88 | F | 93.5 | Very high | 88.1 | Confident | 39 Ų | 39 | 70 Ų | 70 | 17% | 0.171 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 142.2 | 177.9 | -60.3 | -83.3 | 0 | 0 | 0 | 110 | W55 A63 I65 I75 L86 S93 L94 | W55-F88 AromaticContact CD1-CE1 3.58Å; W55-F88 HydrophobicContact CG-CE1 4.25Å; W55-F88 AromaticContact NE1-CE1 3.96Å; A63-F88 HydrophobicContact CB-CE1 4.37Å; A63-F88 HydrophobicContact CB-CE2 4.04Å; A63-F88 HydrophobicContact CB-CZ 3.44Å; A63-F88 VanDerWaalsContact CB-CZ 3.44Å; I65-F88 HydrophobicContact CD1-CD1 3.62Å; I65-F88 HydrophobicContact CD1-CE1 3.72Å; I65-F88 HydrophobicContact CD1-CG 4.06Å; I65-F88 HydrophobicContact CD1-CZ 4.26Å; I75-F88 HydrophobicContact CD1-CB 4.29Å; I75-F88 HydrophobicContact CD1-CD2 3.92Å; I75-F88 HydrophobicContact CD1-CG 4.34Å; I75-F88 HydrophobicContact CG2-CD2 3.81Å; I75-F88 HydrophobicContact CG2-CE2 3.61Å; L86-F88 HydrophobicContact CD2-CE2 4.02Å; L86-F88 HydrophobicContact CD2-CZ 3.71Å; L86-F88 HydrophobicContact CG-CE2 4.23Å; L86-F88 HydrophobicContact CG-CZ 4.04Å; F88-S93 WeakPolarHBondContact CA-O 3.45Å; F88-L94 HydrophobicContact CD1-CD1 4.11Å; F88-L94 HydrophobicContact CE1-CD1 3.33Å; F88-L94 HydrophobicContact CZ-CD1 3.8Å |
| 89 | T | 93.3 | Very high | 88.6 | Confident | 43 Ų | 43 | 66.5 Ų | 66.5 | 26% | 0.264 | 32% | 0.322 | S | S | . | . | trans | -77.6 | 173.2 | 171.9 | 66.3 | 0 | 0 | 0 | 0 | 110.6 | I39 S91 Y92 S93 | I39-T89 HydrophobicContact CD1-CG2 4.5Å; I39-T89 HydrophobicContact CG2-CG2 4.4Å; T89-S91 PolarHBondContact O-N 3.09Å; T89-S91 PolarHBondContact OG1-N 2.96Å; T89-S91 PolarHBondContact OG1-OG 2.76Å; T89-Y92 PolarHBondContact O-N 2.83Å; T89-S93 PolarHBondContact N-O 2.84Å; T89-S93 WeakPolarHBondContact OG1-CB 3.31Å; T89-S93 PolarHBondContact OG1-N 2.84Å; T89-S93 PolarHBondContact OG1-OG 2.88Å | ||
| 90 | Q | 88.5 | Confident | 89.3 | Confident | 176 Ų | 176 | 67.7 Ų | 67.7 | 82% | 0.822 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -27.4 | 173.1 | -166.8 | 64.8 | 23 | 0 | 0 | 112.9 | Y92 | Q90-Y92 VanDerWaalsContact C-N 3.27Š|
| 91 | S | 89.9 | Confident | 90.3 | Very high | 52 Ų | 52 | 65.5 Ų | 65.5 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 11.6 | 175.6 | 63 | 0 | 0 | 0 | 0 | 113.4 | T89 S93 | T89-S91 PolarHBondContact O-N 3.09Å; T89-S91 PolarHBondContact OG1-N 2.96Å; T89-S91 PolarHBondContact OG1-OG 2.76Å; S91-S93 PolarHBondContact O-N 2.95Å; S91-S93 VanDerWaalsContact O-N 3.15Å; S91-S93 PolarHBondContact OG-OG 3.09Å |
| 92 | Y | 92.8 | Very high | 91.2 | Very high | 31 Ų | 31 | 63.8 Ų | 63.8 | 12% | 0.122 | 30% | 0.303 | C | S | . | . | trans | 61.9 | 17.1 | -177.2 | -45.3 | -67.7 | 0 | 0 | 0 | 115 | F44 I53 W55 I65 P67 P73 T89 Q90 | F44-Y92 HydrophobicContact CE1-CD2 4.32Å; F44-Y92 HydrophobicContact CZ-CD2 4.22Å; I53-Y92 HydrophobicContact CD1-CD2 3.66Å; I53-Y92 HydrophobicContact CD1-CG 3.72Å; W55-Y92 PolarHBondContact NE1-O 3.33Å; W55-Y92 VanDerWaalsContact NE1-O 3.12Å; I65-Y92 HydrophobicContact CG2-CD1 3.87Å; I65-Y92 HydrophobicContact CG2-CE1 4.12Å; P67-Y92 HydrophobicContact CB-CE2 4.11Å; P67-Y92 HydrophobicContact CG-CE2 4.29Å; P73-Y92 HydrophobicContact CB-CE1 3.75Å; P73-Y92 HydrophobicContact CG-CE1 3.96Å; T89-Y92 PolarHBondContact O-N 2.83Å; Q90-Y92 VanDerWaalsContact C-N 3.27Å | ||
| 93 | S | 95.4 | Very high | 92.3 | Very high | 6 Ų | 6 | 63.2 Ų | 63.2 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | trans | -65.7 | 140.1 | 171 | -54.8 | 0 | 0 | 0 | 0 | 109.9 | L40 L42 F88 T89 S91 K95 | L40-S93 WeakPolarHBondContact O-CA 3.26Å; L40-S93 VanDerWaalsContact O-CB 3.29Å; L40-S93 WeakPolarHBondContact O-CB 3.48Å; L42-S93 PolarHBondContact N-OG 2.87Å; F88-S93 WeakPolarHBondContact CA-O 3.45Å; T89-S93 PolarHBondContact N-O 2.84Å; T89-S93 WeakPolarHBondContact OG1-CB 3.31Å; T89-S93 PolarHBondContact OG1-N 2.84Å; T89-S93 PolarHBondContact OG1-OG 2.88Å; S91-S93 PolarHBondContact O-N 2.95Å; S91-S93 VanDerWaalsContact O-N 3.15Å; S91-S93 PolarHBondContact OG-OG 3.09Å; S93-K95 PolarHBondContact O-N 3.27Å | ||
| 94 | L | 95.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 122.6 | 179.3 | -168.6 | 69.9 | 0 | 0 | 0 | 109.7 | I39 L40 W55 L62 L86 F88 Y107 | I39-L94 CarbonylContact C-O 3.53Å; I39-L94 VanDerWaalsContact CA-O 3.26Å; I39-L94 WeakPolarHBondContact CA-O 3.38Å; L40-L94 HydrophobicContact CB-CB 4.14Å; L40-L94 HydrophobicContact CD1-CD2 3.88Å; L40-L94 HydrophobicContact CG-CB 4.46Å; L40-L94 PolarHBondContact N-O 3.11Å; L40-L94 PolarHBondContact O-N 3.38Å; W55-L94 HydrophobicContact CB-CD1 4.49Å; W55-L94 HydrophobicContact CD2-CB 3.88Å; W55-L94 HydrophobicContact CD2-CD1 4.2Å; W55-L94 HydrophobicContact CD2-CD2 4.27Å; W55-L94 HydrophobicContact CD2-CG 4.36Å; W55-L94 HydrophobicContact CE3-CB 3.99Å; W55-L94 HydrophobicContact CE3-CD2 3.89Å; W55-L94 HydrophobicContact CE3-CG 4.41Å; W55-L94 HydrophobicContact CG-CD1 4.13Å; W55-L94 HydrophobicContact CH2-CB 3.78Å; W55-L94 HydrophobicContact CZ2-CB 3.66Å; W55-L94 HydrophobicContact CZ3-CB 3.95Å; W55-L94 HydrophobicContact CZ3-CD2 4.2Å; L62-L94 HydrophobicContact CD1-CD2 4.08Å; L86-L94 HydrophobicContact CD1-CD1 3.43Å; L86-L94 VanDerWaalsContact CD1-CD1 3.43Å; L86-L94 HydrophobicContact CD1-CD2 4.4Å; L86-L94 HydrophobicContact CD1-CG 4.06Å; L86-L94 HydrophobicContact CD2-CD1 4.35Å; L86-L94 HydrophobicContact CG-CD1 3.96Å; F88-L94 HydrophobicContact CD1-CD1 4.11Å; F88-L94 HydrophobicContact CE1-CD1 3.33Å; F88-L94 HydrophobicContact CZ-CD1 3.8Å; L94-Y107 HydrophobicContact CD2-CD1 3.81Å; L94-Y107 HydrophobicContact CD2-CE1 4.14Å |
| 95 | K | 96 | Very high | 93.7 | Very high | 80 Ų | 80 | 48.6 Ų | 48.6 | 35% | 0.348 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 114.4 | 169 | -177.4 | 175.7 | -179.8 | 177.4 | 0 | 109.3 | V38 I39 N87 S93 | V38-K95 WeakPolarHBondContact O-CA 3.42Å; I39-K95 HydrophobicContact CG1-CB 4.25Å; I39-K95 HydrophobicContact CG1-CD 4.48Å; I39-K95 HydrophobicContact CG1-CG 4.09Å; N87-K95 HydrophobicContact CB-CB 4.26Å; N87-K95 PolarHBondContact N-O 3.18Å; N87-K95 WeakPolarHBondContact O-CA 3Å; N87-K95 PolarHBondContact O-N 2.63Å; N87-K95 VanDerWaalsContact O-O 3.1Å; S93-K95 PolarHBondContact O-N 3.27Å |
| 96 | L | 95.6 | Very high | 94 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 127.7 | 175 | -171 | 64 | 0 | 0 | 0 | 109 | S37 V38 R85 L86 L99 D103 L124 | S37-L96 CarbonylContact C-O 3.5Å; S37-L96 WeakPolarHBondContact CA-O 3.39Å; S37-L96 VanDerWaalsContact CB-O 3.31Å; S37-L96 WeakPolarHBondContact CB-O 3.48Å; V38-L96 HydrophobicContact CG1-CB 4.25Å; V38-L96 PolarHBondContact N-O 3.45Å; V38-L96 PolarHBondContact O-N 3.05Å; R85-L96 HydrophobicContact CB-CD1 4.32Å; L86-L96 HydrophobicContact CD1-CD1 3.93Å; L96-L99 HydrophobicContact CB-CD2 4.2Å; L96-L99 HydrophobicContact CD2-CD2 3.61Å; L96-L99 HydrophobicContact CG-CD2 3.83Å; L96-D103 HydrophobicContact CD2-CB 3.93Å; L96-L124 HydrophobicContact CD2-CD2 4.45Å |
| 97 | S | 95.9 | Very high | 94.2 | Very high | 32 Ų | 32 | 49.5 Ų | 49.5 | 22% | 0.224 | 26% | 0.263 | C | S | . | . | trans | -115.3 | 159.4 | -175.4 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | E36 R85 L99 | E36-S97 CarbonylContact O-C 3.5Å; R85-S97 WeakPolarHBondContact CA-OG 3.4Å; R85-S97 WeakPolarHBondContact CB-O 3.44Å; R85-S97 PolarHBondContact NE-O 2.53Å; R85-S97 PolarHBondContact NH2-O 2.94Å; R85-S97 PolarHBondContact O-N 2.97Å; R85-S97 PolarHBondContact O-OG 3.3Å; S97-L99 PolarHBondContact O-N 3.27Å | ||
| 98 | N | 95.6 | Very high | 94.3 | Very high | 92 Ų | 92 | 46 Ų | 46 | 49% | 0.492 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 49.6 | 55.1 | -176.1 | -172 | 41.6 | 0 | 0 | 0 | 111.5 | G35 E36 R85 | G35-N98 WeakPolarHBondContact O-CA 3.27Å; E36-N98 WeakPolarHBondContact O-CA 3.45Å; E36-N98 PolarHBondContact O-N 2.92Å; R85-N98 PolarHBondContact NE-O 2.89Å; R85-N98 PolarHBondContact NH2-O 2.79Å |
| 99 | L | 95.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | trans | -53.5 | 138.9 | -173 | -73.2 | 171.4 | 0 | 0 | 0 | 112.8 | L34 G35 E36 V38 L96 S97 L124 I126 | L34-L99 WeakPolarHBondContact CD1-O 3.42Å; G35-L99 PolarHBondContact N-O 2.89Å; E36-L99 WeakPolarHBondContact O-CG 3.49Å; E36-L99 PolarHBondContact O-N 2.99Å; V38-L99 HydrophobicContact CB-CD1 4Å; V38-L99 HydrophobicContact CG1-CD1 4Å; V38-L99 HydrophobicContact CG1-CD2 3.95Å; V38-L99 HydrophobicContact CG1-CG 4.48Å; L96-L99 HydrophobicContact CB-CD2 4.2Å; L96-L99 HydrophobicContact CD2-CD2 3.61Å; L96-L99 HydrophobicContact CG-CD2 3.83Å; S97-L99 PolarHBondContact O-N 3.27Å; L99-L124 HydrophobicContact CD2-CD2 4.25Å; L99-I126 HydrophobicContact CB-CD1 4.26Å; L99-I126 HydrophobicContact CD2-CD1 4.12Å | ||
| 100 | E | 94.3 | Very high | 94.5 | Very high | 73 Ų | 73 | 45.3 Ų | 45.3 | 34% | 0.341 | 24% | 0.24 | S | C | . | . | trans | -119.2 | 154.7 | 175.8 | -66.4 | 174.6 | -142.8 | 0 | 0 | 109.7 | R85 E102 D103 I126 | R85-E100 IonicContact CZ-OE1 3.41Å; R85-E100 IonicContact NE-OE1 3.8Å; R85-E100 IonicContact NH1-OE1 2.75Å; R85-E100 PolarHBondContact NH1-OE1 2.92Å; R85-E100 IonicContact NH1-OE2 3.98Å; E100-E102 HydrophobicContact CB-CG 3.97Å; E100-E102 PolarHBondContact O-N 2.76Å; E100-E102 VanDerWaalsContact O-N 3.09Å; E100-D103 PolarHBondContact N-OD2 3.29Å; E100-D103 WeakPolarHBondContact O-CB 3.48Å; E100-D103 PolarHBondContact O-N 2.84Å; E100-I126 WeakPolarHBondContact O-CD1 3.47Å | ||
| 101 | M | 92.9 | Very high | 94.8 | Very high | 65 Ų | 65 | 37 Ų | 37 | 32% | 0.32 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -57.1 | -29.9 | -179.3 | -75.4 | -56.9 | -166.4 | 0 | 0 | 113.1 | L34 D103 T104 I126 R128 | L34-M101 HydrophobicContact CD1-CG 3.97Å; L34-M101 HydrophobicContact CD1-SD 4.31Å; M101-D103 PolarHBondContact O-N 2.86Å; M101-T104 WeakPolarHBondContact O-CB 3.15Å; M101-T104 PolarHBondContact O-N 2.83Å; M101-T104 PolarHBondContact O-OG1 3.28Å; M101-I126 HydrophobicContact SD-CB 4.18Å; M101-I126 HydrophobicContact SD-CG2 3.83Å; M101-R128 HydrophobicContact CE-CG 3.53Å |
| 102 | E | 92.6 | Very high | 95 | Very high | 120 Ų | 120 | 35.8 Ų | 35.8 | 56% | 0.561 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -68.2 | -16.6 | 177.3 | 63.5 | 171.3 | -141.4 | 0 | 0 | 114.5 | E100 T104 | E100-E102 HydrophobicContact CB-CG 3.97Å; E100-E102 PolarHBondContact O-N 2.76Å; E100-E102 VanDerWaalsContact O-N 3.09Å; E102-T104 PolarHBondContact O-N 3.43Å |
| 103 | D | 93.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -79.7 | -4.4 | 177.1 | -59 | -60.3 | 0 | 0 | 0 | 112.6 | Q82 R85 L96 E100 M101 G105 Y107 I126 | Q82-D103 PolarHBondContact NE2-OD1 2.94Å; Q82-D103 VanDerWaalsContact NE2-OD1 3.09Å; R85-D103 IonicContact CZ-OD2 3.42Å; R85-D103 IonicContact NH1-OD1 2.8Å; R85-D103 IonicContact NH1-OD2 3.85Å; R85-D103 PolarHBondContact NH1-OD2 3.32Å; R85-D103 IonicContact NH2-OD1 3.84Å; R85-D103 IonicContact NH2-OD2 3.35Å; R85-D103 PolarHBondContact NH2-OD2 2.81Å; L96-D103 HydrophobicContact CD2-CB 3.93Å; E100-D103 PolarHBondContact N-OD2 3.29Å; E100-D103 WeakPolarHBondContact O-CB 3.48Å; E100-D103 PolarHBondContact O-N 2.84Å; M101-D103 PolarHBondContact O-N 2.86Å; D103-G105 PolarHBondContact O-N 3.39Å; D103-Y107 VanDerWaalsContact O-CE2 3.26Å; D103-Y107 WeakPolarHBondContact O-CE2 3.41Å; D103-Y107 PolarHBondContact O-OH 2.96Å; D103-I126 HydrophobicContact CB-CD1 3.68Å |
| 104 | T | 95 | Very high | 94.6 | Very high | 60 Ų | 60 | 41.9 Ų | 41.9 | 37% | 0.368 | 22% | 0.221 | S | C | . | . | trans | -60.4 | 129.9 | 172.5 | -61.2 | 0 | 0 | 0 | 0 | 109.8 | M101 E102 L124 R125 | M101-T104 WeakPolarHBondContact O-CB 3.15Å; M101-T104 PolarHBondContact O-N 2.83Å; M101-T104 PolarHBondContact O-OG1 3.28Å; E102-T104 PolarHBondContact O-N 3.43Å; T104-L124 WeakPolarHBondContact CA-O 3.49Å; T104-L124 WeakPolarHBondContact CG2-O 3.36Å; T104-R125 HydrophobicContact CG2-CB 4.38Å | ||
| 105 | G | 95.3 | Very high | 94.2 | Very high | 16 Ų | 16 | 48 Ų | 48 | 17% | 0.165 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.5 | -166.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | D103 L124 | D103-G105 PolarHBondContact O-N 3.39Å; G105-L124 PolarHBondContact N-O 2.91Å; G105-L124 PolarHBondContact O-N 3.25Å |
| 106 | S | 96.6 | Very high | 93.9 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 39% | 0.392 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 128.4 | 178.1 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | C57 N58 Y122 | C57-S106 CarbonylContact C-O 3.59Å; C57-S106 WeakPolarHBondContact CA-O 3.21Å; N58-S106 PolarHBondContact N-O 2.8Å; N58-S106 PolarHBondContact OD1-N 3.45Å; N58-S106 PolarHBondContact OD1-O 2.93Å; S106-Y122 WeakPolarHBondContact CA-O 3.49Å |
| 107 | Y | 96.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 143.4 | 173.2 | -70 | -103.4 | 0 | 0 | 0 | 108.6 | L40 L56 C57 L62 L94 D103 Y122 L124 | L40-Y107 VanDerWaalsContact CD1-CB 3.47Å; L40-Y107 HydrophobicContact CD1-CD1 3.89Å; L40-Y107 HydrophobicContact CD1-CD2 4.28Å; L40-Y107 HydrophobicContact CD1-CG 3.62Å; L56-Y107 VanDerWaalsContact O-CA 3.31Å; L56-Y107 WeakPolarHBondContact O-CA 3.46Å; C57-Y107 HydrophobicContact CB-CD1 4.1Å; C57-Y107 HydrophobicContact CB-CE1 3.88Å; L62-Y107 HydrophobicContact CD1-CD1 3.81Å; L62-Y107 HydrophobicContact CD1-CE1 3.8Å; L94-Y107 HydrophobicContact CD2-CD1 3.81Å; L94-Y107 HydrophobicContact CD2-CE1 4.14Å; D103-Y107 VanDerWaalsContact O-CE2 3.26Å; D103-Y107 WeakPolarHBondContact O-CE2 3.41Å; D103-Y107 PolarHBondContact O-OH 2.96Å; Y107-Y122 PolarHBondContact N-O 3.03Å; Y107-Y122 PolarHBondContact O-N 2.89Å; Y107-L124 HydrophobicContact CD2-CB 3.85Å; Y107-L124 HydrophobicContact CD2-CD2 4.5Å; Y107-L124 HydrophobicContact CE2-CB 3.71Å; Y107-L124 HydrophobicContact CE2-CD2 3.79Å; Y107-L124 HydrophobicContact CE2-CG 4.39Å |
| 108 | S | 96.1 | Very high | 93.5 | Very high | 17 Ų | 17 | 52.9 Ų | 52.9 | 12% | 0.119 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 147.5 | 171.6 | 57.5 | 0 | 0 | 0 | 0 | 112.1 | W55 L56 S120 | W55-S108 CarbonylContact C-O 3.58Å; W55-S108 WeakPolarHBondContact CA-O 3.46Å; L56-S108 PolarHBondContact N-O 3Å; L56-S108 PolarHBondContact O-N 2.8Å; S108-S120 CarbonylContact C-O 3.54Å; S108-S120 WeakPolarHBondContact CA-O 3.4Å; S108-S120 WeakPolarHBondContact CB-O 3.5Å |
| 109 | A | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 117.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | L42 W55 L119 S120 | L42-A109 HydrophobicContact CD1-CB 3.31Å; W55-A109 HydrophobicContact CD2-CB 3.89Å; W55-A109 HydrophobicContact CE3-CB 3.9Å; W55-A109 HydrophobicContact CH2-CB 3.77Å; W55-A109 HydrophobicContact CZ2-CB 3.74Å; W55-A109 HydrophobicContact CZ3-CB 3.85Å; A109-L119 WeakPolarHBondContact O-CA 3.35Å; A109-S120 PolarHBondContact N-O 2.89Å; A109-S120 PolarHBondContact O-N 3.01Å |
| 110 | Q | 95.3 | Very high | 93.3 | Very high | 66 Ų | 66 | 52.8 Ų | 52.8 | 31% | 0.308 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 114.9 | 172.1 | -175.9 | 178.8 | -21.6 | 0 | 0 | 108.3 | I53 T54 V117 K118 L119 | I53-Q110 CarbonylContact C-O 3.52Å; I53-Q110 WeakPolarHBondContact CA-O 3.46Å; T54-Q110 PolarHBondContact N-O 3.04Å; T54-Q110 PolarHBondContact O-N 2.94Å; Q110-V117 HydrophobicContact CG-CG1 3.45Å; Q110-V117 VanDerWaalsContact CG-CG1 3.45Å; Q110-K118 WeakPolarHBondContact CA-O 3.45Å; Q110-L119 HydrophobicContact CB-CD1 4.24Å |
| 111 | I | 94.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 117.2 | 177.3 | -51.6 | 168.7 | 0 | 0 | 0 | 106.6 | L42 F44 I50 V117 K118 | L42-I111 HydrophobicContact CD1-CD1 3.78Å; L42-I111 HydrophobicContact CD1-CG1 4.11Å; L42-I111 HydrophobicContact CD2-CD1 4.41Å; L42-I111 HydrophobicContact CD2-CG1 4.43Å; L42-I111 HydrophobicContact CG-CD1 4.11Å; F44-I111 HydrophobicContact CB-CD1 4.31Å; I50-I111 HydrophobicContact CD1-CG2 4Å; I50-I111 HydrophobicContact CG1-CG2 3.99Å; I50-I111 HydrophobicContact CG2-CG2 3.88Å; I111-V117 WeakPolarHBondContact O-CA 3.26Å; I111-K118 HydrophobicContact CB-CB 4.37Å; I111-K118 HydrophobicContact CD1-CD 4.41Å; I111-K118 PolarHBondContact N-O 2.96Å; I111-K118 PolarHBondContact O-N 2.79Å |
| 112 | T | 94.4 | Very high | 93.6 | Very high | 27 Ų | 27 | 48 Ų | 48 | 17% | 0.166 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 126.4 | 177.1 | -61.8 | 0 | 0 | 0 | 0 | 109.1 | E51 S52 V117 | E51-T112 PolarHBondContact N-O 3.4Å; S52-T112 PolarHBondContact N-O 2.8Å; S52-T112 PolarHBondContact O-N 3.08Å; T112-V117 HydrophobicContact CG2-CG2 4.32Å |
| 113 | T | 91.4 | Very high | 93.8 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 168.9 | 169.9 | 67.4 | 0 | 0 | 0 | 0 | 108.7 | E48 T115 S116 | E48-T113 HydrophobicContact CG-CG2 3.84Å; E48-T113 WeakPolarHBondContact OE1-CG2 3.45Å; T113-T115 PolarHBondContact O-N 2.75Å; T113-S116 PolarHBondContact N-O 2.83Å; T113-S116 PolarHBondContact O-N 3.49Å; T113-S116 PolarHBondContact OG1-N 2.81Å; T113-S116 PolarHBondContact OG1-O 2.93Å; T113-S116 PolarHBondContact OG1-OG 2.74Å |
| 114 | E | 88.3 | Confident | 94 | Very high | 154 Ų | 154 | 44.2 Ų | 44.2 | 72% | 0.72 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -52.9 | -31.3 | -178.7 | -174.5 | -179 | 179.6 | 0 | 0 | 113 | E51 | E51-E114 VanDerWaalsContact OE1-CA 3.32Å; E51-E114 WeakPolarHBondContact OE1-CA 3.35Å |
| 115 | T | 88.3 | Confident | 94 | Very high | 131 Ų | 131 | 47.2 Ų | 47.2 | 80% | 0.804 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -113.7 | -13.2 | -171.8 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | T113 | T113-T115 PolarHBondContact O-N 2.75Š|
| 116 | S | 90.1 | Very high | 94 | Very high | 52 Ų | 52 | 46.9 Ų | 46.9 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | trans | -154.9 | 163.1 | -171.6 | 75.6 | 0 | 0 | 0 | 0 | 113.8 | T113 | T113-S116 PolarHBondContact N-O 2.83Å; T113-S116 PolarHBondContact O-N 3.49Å; T113-S116 PolarHBondContact OG1-N 2.81Å; T113-S116 PolarHBondContact OG1-O 2.93Å; T113-S116 PolarHBondContact OG1-OG 2.74Å | ||
| 117 | V | 91.8 | Very high | 93.9 | Very high | 89 Ų | 89 | 44.8 Ų | 44.8 | 54% | 0.539 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 119.4 | 170.4 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | Q110 I111 T112 | Q110-V117 HydrophobicContact CG-CG1 3.45Å; Q110-V117 VanDerWaalsContact CG-CG1 3.45Å; I111-V117 WeakPolarHBondContact O-CA 3.26Å; T112-V117 HydrophobicContact CG2-CG2 4.32Å |
| 118 | K | 91.3 | Very high | 93.7 | Very high | 77 Ų | 77 | 50.8 Ų | 50.8 | 34% | 0.335 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 137.1 | 174.3 | -176.4 | -179.4 | 177 | -170.1 | 0 | 109.5 | E43 Q110 I111 | E43-K118 PolarHBondContact O-NZ 3.27Å; Q110-K118 WeakPolarHBondContact CA-O 3.45Å; I111-K118 HydrophobicContact CB-CB 4.37Å; I111-K118 HydrophobicContact CD1-CD 4.41Å; I111-K118 PolarHBondContact N-O 2.96Å; I111-K118 PolarHBondContact O-N 2.79Å |
| 119 | L | 92.6 | Very high | 93.5 | Very high | 71 Ų | 71 | 55.5 Ų | 55.5 | 37% | 0.372 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.6 | 176.5 | -171 | 70.6 | 0 | 0 | 0 | 109.6 | A109 Q110 | A109-L119 WeakPolarHBondContact O-CA 3.35Å; Q110-L119 HydrophobicContact CB-CD1 4.24Å |
| 120 | S | 94 | Very high | 93.5 | Very high | 20 Ų | 20 | 56.4 Ų | 56.4 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 123.8 | 168.2 | -67.5 | 0 | 0 | 0 | 0 | 109.1 | S108 A109 Y122 | S108-S120 CarbonylContact C-O 3.54Å; S108-S120 WeakPolarHBondContact CA-O 3.4Å; S108-S120 WeakPolarHBondContact CB-O 3.5Å; A109-S120 PolarHBondContact N-O 2.89Å; A109-S120 PolarHBondContact O-N 3.01Å; S120-Y122 WeakPolarHBondContact CB-OH 3.32Å; S120-Y122 WeakPolarHBondContact O-CE2 3.46Å |
| 121 | S | 95.8 | Very high | 93.3 | Very high | 29 Ų | 29 | 63.5 Ų | 63.5 | 20% | 0.203 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 141.3 | -175.1 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | P27 L28 | P27-S121 CarbonylContact C-O 3.57Å; P27-S121 VanDerWaalsContact CA-O 3.3Å; P27-S121 WeakPolarHBondContact CA-O 3.49Å; L28-S121 PolarHBondContact N-O 2.86Å |
| 122 | Y | 97.1 | Very high | 93.3 | Very high | 10 Ų | 10 | 65.9 Ų | 65.9 | 4% | 0.039 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 150.1 | -178.2 | -49.1 | -99.2 | 0 | 0 | 0 | 110 | L28 V30 L40 P41 W55 S106 Y107 S120 | L28-Y122 HydrophobicContact CB-CD1 3.93Å; L28-Y122 HydrophobicContact CB-CE1 4.37Å; L28-Y122 HydrophobicContact CD2-CD1 3.98Å; L28-Y122 HydrophobicContact CD2-CE1 3.93Å; L28-Y122 HydrophobicContact CG-CD1 4.37Å; L28-Y122 CarbonylContact O-C 3.58Å; L28-Y122 VanDerWaalsContact O-CA 3.22Å; L28-Y122 WeakPolarHBondContact O-CA 3.45Å; V30-Y122 HydrophobicContact CG2-CD1 4.11Å; L40-Y122 HydrophobicContact CB-CD1 4.27Å; L40-Y122 HydrophobicContact CB-CE1 4.38Å; L40-Y122 HydrophobicContact CB-CG 4.38Å; L40-Y122 HydrophobicContact CD1-CD2 4.45Å; L40-Y122 HydrophobicContact CD1-CG 4.33Å; L40-Y122 HydrophobicContact CD2-CD1 4.41Å; L40-Y122 HydrophobicContact CD2-CG 4.46Å; P41-Y122 HydrophobicContact CG-CE1 4.38Å; P41-Y122 PolarHBondContact O-OH 2.87Å; W55-Y122 HydrophobicContact CH2-CD2 4.4Å; W55-Y122 AromaticContact CH2-CE2 3.86Å; W55-Y122 HydrophobicContact CH2-CE2 3.86Å; W55-Y122 HydrophobicContact CZ3-CD2 4.11Å; W55-Y122 AromaticContact CZ3-CE2 3.96Å; W55-Y122 HydrophobicContact CZ3-CE2 3.96Å; S106-Y122 WeakPolarHBondContact CA-O 3.49Å; Y107-Y122 PolarHBondContact N-O 3.03Å; Y107-Y122 PolarHBondContact O-N 2.89Å; S120-Y122 WeakPolarHBondContact CB-OH 3.32Å; S120-Y122 WeakPolarHBondContact O-CE2 3.46Å |
| 123 | T | 97 | Very high | 93.4 | Very high | 39 Ų | 39 | 65.7 Ų | 65.7 | 24% | 0.239 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 113.6 | 167.8 | -58 | 0 | 0 | 0 | 0 | 108.7 | L28 M29 V30 R125 | L28-T123 PolarHBondContact O-N 3.23Å; M29-T123 HydrophobicContact CE-CG2 3.65Å; M29-T123 HydrophobicContact SD-CG2 3.98Å; V30-T123 PolarHBondContact N-O 2.77Å; T123-R125 HydrophobicContact CG2-CG 4.49Å |
| 124 | L | 97.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 110.3 | -178.8 | -178.5 | 58.4 | 0 | 0 | 0 | 110.8 | V30 V38 L96 L99 T104 G105 Y107 I126 | V30-L124 HydrophobicContact CB-CD1 4.42Å; V30-L124 HydrophobicContact CG1-CD1 4.36Å; V30-L124 WeakPolarHBondContact O-CA 3.26Å; V38-L124 HydrophobicContact CB-CD1 4.48Å; V38-L124 HydrophobicContact CG1-CD1 3.98Å; V38-L124 HydrophobicContact CG1-CD2 4.09Å; V38-L124 HydrophobicContact CG2-CD1 4.13Å; L96-L124 HydrophobicContact CD2-CD2 4.45Å; L99-L124 HydrophobicContact CD2-CD2 4.25Å; T104-L124 WeakPolarHBondContact CA-O 3.49Å; T104-L124 WeakPolarHBondContact CG2-O 3.36Å; G105-L124 PolarHBondContact N-O 2.91Å; G105-L124 PolarHBondContact O-N 3.25Å; Y107-L124 HydrophobicContact CD2-CB 3.85Å; Y107-L124 HydrophobicContact CD2-CD2 4.5Å; Y107-L124 HydrophobicContact CE2-CB 3.71Å; Y107-L124 HydrophobicContact CE2-CD2 3.79Å; Y107-L124 HydrophobicContact CE2-CG 4.39Å; L124-I126 HydrophobicContact CD2-CD1 4.31Å; L124-I126 HydrophobicContact CD2-CG1 4.49Å; L124-I126 HydrophobicContact CG-CD1 4.47Å; L124-I126 HydrophobicContact CG-CG1 4.16Å |
| 125 | R | 95.9 | Very high | 93.9 | Very high | 124 Ų | 124 | 63.7 Ų | 63.7 | 47% | 0.468 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 119.6 | 164.6 | 46 | 121.7 | 171.8 | 152.4 | 7.1 | 113.3 | M29 V30 N31 G32 T104 T123 F127 | M29-R125 HydrophobicContact CE-CG 3.8Å; V30-R125 PolarHBondContact O-N 2.85Å; N31-R125 CarbonylContact C-O 3.59Å; N31-R125 WeakPolarHBondContact CA-O 3.44Å; G32-R125 PolarHBondContact N-O 2.88Å; T104-R125 HydrophobicContact CG2-CB 4.38Å; T123-R125 HydrophobicContact CG2-CG 4.49Å; R125-F127 HydrophobicContact CB-CE2 4.01Å; R125-F127 HydrophobicContact CB-CZ 4.26Å |
| 126 | I | 95.1 | Very high | 94.2 | Very high | 8 Ų | 8 | 60.5 Ų | 60.5 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 127.9 | 170.4 | -60.4 | 174.2 | 0 | 0 | 0 | 110.3 | G32 L34 L99 E100 M101 D103 L124 | G32-I126 WeakPolarHBondContact O-CA 3.38Å; L34-I126 HydrophobicContact CB-CG2 4.24Å; L34-I126 HydrophobicContact CD1-CG2 4.16Å; L99-I126 HydrophobicContact CB-CD1 4.26Å; L99-I126 HydrophobicContact CD2-CD1 4.12Å; E100-I126 WeakPolarHBondContact O-CD1 3.47Å; M101-I126 HydrophobicContact SD-CB 4.18Å; M101-I126 HydrophobicContact SD-CG2 3.83Å; D103-I126 HydrophobicContact CB-CD1 3.68Å; L124-I126 HydrophobicContact CD2-CD1 4.31Å; L124-I126 HydrophobicContact CD2-CG1 4.49Å; L124-I126 HydrophobicContact CG-CD1 4.47Å; L124-I126 HydrophobicContact CG-CG1 4.16Å |
| 127 | F | 94.3 | Very high | 94.4 | Very high | 13 Ų | 13 | 61.6 Ų | 61.6 | 6% | 0.057 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 148.3 | -176.3 | -61.2 | -89.9 | 0 | 0 | 0 | 110.5 | N31 G32 V33 L34 R125 N161 A200 V201 | N31-F127 HydrophobicContact CB-CD2 4.11Å; N31-F127 HydrophobicContact CB-CE2 3.92Å; N31-F127 WeakPolarHBondContact OD1-CE2 3.22Å; G32-F127 PolarHBondContact O-N 2.96Å; V33-F127 WeakPolarHBondContact CA-O 3.48Å; L34-F127 PolarHBondContact N-O 2.83Å; R125-F127 HydrophobicContact CB-CE2 4.01Å; R125-F127 HydrophobicContact CB-CZ 4.26Å; F127-N161 HydrophobicContact CD1-CB 4.23Å; F127-N161 WeakPolarHBondContact CD1-ND2 3.43Å; F127-N161 HydrophobicContact CE1-CB 3.84Å; F127-A200 HydrophobicContact CD1-CB 4.39Å; F127-A200 HydrophobicContact CD2-CB 4.09Å; F127-A200 HydrophobicContact CE1-CB 4.03Å; F127-A200 HydrophobicContact CE2-CB 3.71Å; F127-A200 HydrophobicContact CG-CB 4.42Å; F127-A200 HydrophobicContact CZ-CB 3.67Å; F127-V201 HydrophobicContact CB-CB 4.46Å; F127-V201 HydrophobicContact CB-CG1 4.05Å; F127-V201 HydrophobicContact CB-CG2 3.55Å; F127-V201 HydrophobicContact CD2-CG1 3.91Å; F127-V201 HydrophobicContact CG-CG1 4.27Å; F127-V201 HydrophobicContact CG-CG2 4.41Å |
| 128 | R | 92.6 | Very high | 94.4 | Very high | 127 Ų | 127 | 63 Ų | 63 | 48% | 0.479 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -82.3 | 140.6 | 166.4 | -60.7 | -176.8 | 179.5 | -126.8 | -2.7 | 108.7 | L34 M101 L130 N199 | L34-R128 HydrophobicContact CB-CG 4.48Å; L34-R128 HydrophobicContact CD2-CG 3.94Å; M101-R128 HydrophobicContact CE-CG 3.53Å; R128-L130 PolarHBondContact O-N 2.8Å; R128-N199 PolarHBondContact O-ND2 2.87Å |
| 129 | Q | 92.2 | Very high | 94.2 | Very high | 115 Ų | 115 | 60.6 Ų | 60.6 | 54% | 0.537 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 132.8 | 169.1 | -167.8 | 168.8 | 27.3 | 0 | 0 | 109.3 | V33 | V33-Q129 HydrophobicContact CG1-CB 4.34Š|
| 130 | L | 94.1 | Very high | 94 | Very high | 19 Ų | 19 | 62.8 Ų | 62.8 | 10% | 0.099 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 135.1 | 175.2 | -53.8 | 178.5 | 0 | 0 | 0 | 109.1 | R128 V155 V162 A197 S202 L204 | R128-L130 PolarHBondContact O-N 2.8Å; L130-V155 HydrophobicContact CB-CG1 4.24Å; L130-V155 HydrophobicContact CD2-CG1 3.97Å; L130-V162 HydrophobicContact CD1-CG1 4.36Å; L130-V162 HydrophobicContact CD2-CG1 4.41Å; L130-V162 HydrophobicContact CD2-CG2 3.7Å; L130-A197 HydrophobicContact CD1-CB 4.38Å; L130-A197 WeakPolarHBondContact CD1-O 2.94Å; L130-S202 WeakPolarHBondContact CG-OG 3.32Å; L130-S202 PolarHBondContact N-OG 3.06Å; L130-S202 VanDerWaalsContact N-OG 3.08Å; L130-L204 HydrophobicContact CB-CD1 3.62Å; L130-L204 HydrophobicContact CB-CG 3.87Å |
| 131 | R | 91.3 | Very high | 93.6 | Very high | 215 Ų | 215 | 64.5 Ų | 64.5 | 81% | 0.811 | 30% | 0.298 | S | S | * | . | trans | -112.8 | -59.2 | -175.4 | -63.7 | -176.2 | 178.1 | -170 | -1.5 | 113 | L204 | R131-L204 WeakPolarHBondContact O-CD1 3.3Š| ||
| 132 | T | 94.3 | Very high | 92.9 | Very high | 53 Ų | 53 | 67.5 Ų | 67.5 | 33% | 0.325 | 31% | 0.308 | S | S | . | . | trans | -121.7 | 115.6 | -171.9 | -43.9 | 0 | 0 | 0 | 0 | 109.7 | Q134 V155 E156 | T132-Q134 HydrophobicContact CG2-CG 4.25Å; T132-V155 WeakPolarHBondContact O-CA 3.42Å; T132-V155 WeakPolarHBondContact O-CG1 3.29Å; T132-E156 VanDerWaalsContact CB-OE2 3.26Å; T132-E156 WeakPolarHBondContact CB-OE2 3.47Å; T132-E156 PolarHBondContact O-N 3.09Å; T132-E156 PolarHBondContact OG1-OE2 2.91Å | ||
| 133 | I | 96 | Very high | 92 | Very high | 22 Ų | 22 | 76.9 Ų | 76.9 | 11% | 0.113 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 137.8 | 169.9 | -174.9 | 167.9 | 0 | 0 | 0 | 109.2 | V155 C195 A197 L204 F206 | I133-V155 HydrophobicContact CG1-CG2 4.49Å; I133-C195 HydrophobicContact CD1-CB 4.44Å; I133-A197 HydrophobicContact CD1-CB 4.03Å; I133-L204 HydrophobicContact CB-CB 4.07Å; I133-L204 HydrophobicContact CB-CD1 4.13Å; I133-L204 HydrophobicContact CD1-CB 4.31Å; I133-L204 HydrophobicContact CG2-CB 4Å; I133-L204 HydrophobicContact CG2-CD1 4.31Å; I133-F206 HydrophobicContact CD1-CB 4.04Å; I133-F206 HydrophobicContact CG1-CB 4.1Å; I133-F206 HydrophobicContact CG2-CB 3.88Å; I133-F206 HydrophobicContact CG2-CD2 4.31Å |
| 134 | Q | 95.3 | Very high | 91.2 | Very high | 98 Ų | 98 | 79.4 Ų | 79.4 | 46% | 0.458 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 140.4 | 179.6 | -63.6 | -178.9 | -2.5 | 0 | 0 | 109.7 | T132 C153 S154 | T132-Q134 HydrophobicContact CG2-CG 4.25Å; Q134-C153 WeakPolarHBondContact O-CA 3.38Å; Q134-S154 PolarHBondContact N-O 2.91Å; Q134-S154 PolarHBondContact O-N 2.85Å |
| 135 | V | 96.3 | Very high | 90.3 | Very high | 24 Ų | 24 | 86.2 Ų | 86.2 | 15% | 0.145 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 115.8 | 173.1 | 170.3 | 0 | 0 | 0 | 0 | 108.4 | L151 T152 C153 W166 C195 F206 V208 | V135-L151 HydrophobicContact CG1-CB 4.3Å; V135-L151 HydrophobicContact CG1-CD2 4.1Å; V135-T152 CarbonylContact C-O 3.12Å; V135-T152 WeakPolarHBondContact CA-O 3.41Å; V135-C153 HydrophobicContact CG2-CB 4.49Å; V135-W166 HydrophobicContact CB-CH2 4.49Å; V135-W166 HydrophobicContact CG1-CH2 3.74Å; V135-W166 HydrophobicContact CG1-CZ2 4.49Å; V135-W166 HydrophobicContact CG2-CH2 3.88Å; V135-W166 HydrophobicContact CG2-CZ2 4.46Å; V135-C195 HydrophobicContact CG2-CB 4.08Å; V135-F206 HydrophobicContact CB-CD1 3.79Å; V135-F206 HydrophobicContact CB-CE1 4.1Å; V135-F206 HydrophobicContact CG2-CB 4.07Å; V135-F206 HydrophobicContact CG2-CD1 3.55Å; V135-F206 HydrophobicContact CG2-CE1 4.36Å; V135-F206 HydrophobicContact CG2-CG 4.11Å; V135-V208 HydrophobicContact CG1-CG1 4.23Å; V135-V208 HydrophobicContact CG1-CG2 4.34Å |
| 136 | N | 94.9 | Very high | 89.9 | Confident | 65 Ų | 65 | 81.8 Ų | 81.8 | 35% | 0.348 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 136.4 | 173.4 | -68.4 | -32.5 | 0 | 0 | 0 | 109.9 | Y138 L151 T152 | N136-Y138 HydrophobicContact CB-CE2 3.71Å; N136-L151 WeakPolarHBondContact O-CA 3.48Å; N136-T152 PolarHBondContact N-O 2.81Å; N136-T152 PolarHBondContact O-N 3.23Å |
| 137 | N | 93.6 | Very high | 89.7 | Confident | 75 Ų | 75 | 81.5 Ų | 81.5 | 40% | 0.401 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 123.4 | -177.2 | 176.4 | 22.1 | 0 | 0 | 0 | 111 | S139 L151 L213 | N137-S139 WeakPolarHBondContact OD1-CB 3.48Å; N137-S139 PolarHBondContact OD1-N 2.88Å; N137-S139 PolarHBondContact OD1-OG 3.42Å; N137-L151 HydrophobicContact CB-CD2 4.04Å; N137-L213 HydrophobicContact CB-CD2 4.01Å; N137-L213 VanDerWaalsContact CG-CD2 3.47Å; N137-L213 WeakPolarHBondContact ND2-CD2 3.44Å |
| 138 | Y | 91.4 | Very high | 89.6 | Confident | 119 Ų | 119 | 84.4 Ų | 84.4 | 47% | 0.467 | 39% | 0.389 | S | S | . | . | trans | -122.1 | 24.3 | 175.4 | -51 | -79.3 | 0 | 0 | 0 | 112.1 | N136 H150 | N136-Y138 HydrophobicContact CB-CE2 3.71Å; Y138-H150 AromaticContact CD2-ND1 3.48Å; Y138-H150 WeakPolarHBondContact CD2-ND1 3.37Å; Y138-H150 AromaticContact CG-ND1 3.84Å; Y138-H150 PolarHBondContact N-O 2.87Å | ||
| 139 | S | 88.3 | Confident | 89.6 | Confident | 26 Ų | 26 | 78.4 Ų | 78.4 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | trans | -63 | 145.7 | -176.6 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | N137 E148 I149 | N137-S139 WeakPolarHBondContact OD1-CB 3.48Å; N137-S139 PolarHBondContact OD1-N 2.88Å; N137-S139 PolarHBondContact OD1-OG 3.42Å; S139-E148 CarbonylContact C-O 3.58Å; S139-E148 WeakPolarHBondContact CA-O 3.41Å; S139-E148 WeakPolarHBondContact CB-O 3.4Å; S139-I149 VanDerWaalsContact OG-CA 3.31Å; S139-I149 WeakPolarHBondContact OG-CA 3.22Å | ||
| 140 | Q | 87.1 | Confident | 89.8 | Confident | 117 Ų | 117 | 75.9 Ų | 75.9 | 55% | 0.547 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 133.3 | -179.7 | -60.7 | -179.5 | 30.8 | 0 | 0 | 110.1 | C147 E148 | Q140-C147 CarbonylContact O-C 3.6Å; Q140-C147 WeakPolarHBondContact O-CA 3.45Å; Q140-E148 PolarHBondContact N-O 2.93Å; Q140-E148 PolarHBondContact O-N 2.77Å |
| 141 | L | 85.1 | Confident | 89.9 | Confident | 55 Ų | 55 | 75 Ų | 75 | 29% | 0.288 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 119.9 | 173.9 | -174.5 | 68.2 | 0 | 0 | 0 | 109.8 | C147 V217 | L141-C147 HydrophobicContact CD1-CB 3.96Å; L141-V217 HydrophobicContact CB-CB 4.16Å; L141-V217 HydrophobicContact CB-CG1 4.23Å; L141-V217 HydrophobicContact CB-CG2 4.12Å; L141-V217 HydrophobicContact CD2-CB 3.88Å; L141-V217 HydrophobicContact CD2-CG1 4.15Å |
| 142 | F | 83 | Confident | 90.1 | Very high | 93 Ų | 93 | 66.2 Ų | 66.2 | 41% | 0.408 | 32% | 0.319 | S | S | . | . | trans | -85.1 | 159.3 | 176.8 | -69.6 | -74 | 0 | 0 | 0 | 112.4 | N144 R145 T146 E148 | F142-N144 WeakPolarHBondContact CB-OD1 3.35Å; F142-N144 PolarHBondContact O-N 3.18Å; F142-R145 WeakPolarHBondContact O-CA 3.42Å; F142-R145 PolarHBondContact O-N 3.01Å; F142-T146 WeakPolarHBondContact CB-O 3.41Å; F142-T146 PolarHBondContact N-O 3.41Å; F142-E148 HydrophobicContact CD2-CB 4.22Å; F142-E148 HydrophobicContact CE2-CB 3.55Å; F142-E148 HydrophobicContact CE2-CG 4.45Å; F142-E148 WeakPolarHBondContact CE2-OE2 3.05Å; F142-E148 WeakPolarHBondContact CZ-OE2 3.5Å | ||
| 143 | Q | 76.4 | Confident | 90.2 | Very high | 206 Ų | 206 | 63.8 Ų | 63.8 | 96% | 0.963 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.8 | 179.1 | -68.3 | -179.3 | -3.7 | 0 | 0 | 113.3 | R145 | Q143-R145 PolarHBondContact O-N 2.84Å; Q143-R145 VanDerWaalsContact O-N 3.13Å |
| 144 | N | 80.3 | Confident | 90.2 | Very high | 92 Ų | 92 | 64.6 Ų | 64.6 | 49% | 0.492 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 4.3 | 175.4 | 68.7 | -7.8 | 0 | 0 | 0 | 113.2 | F142 T146 R186 | F142-N144 WeakPolarHBondContact CB-OD1 3.35Å; F142-N144 PolarHBondContact O-N 3.18Å; N144-T146 PolarHBondContact ND2-OG1 3.29Å; N144-T146 PolarHBondContact O-N 3.41Å; N144-T146 VanDerWaalsContact OD1-CB 3.26Å; N144-T146 WeakPolarHBondContact OD1-CB 3.16Å; N144-T146 PolarHBondContact OD1-N 2.84Å; N144-T146 PolarHBondContact OD1-OG1 2.92Å; N144-R186 PolarHBondContact O-NH1 2.76Å; N144-R186 PolarHBondContact O-NH2 2.89Å |
| 145 | R | 79.7 | Confident | 90.2 | Very high | 144 Ų | 144 | 60.4 Ų | 60.4 | 54% | 0.543 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 67.2 | 10.9 | -174.7 | -55.1 | -176 | 178 | -165.3 | -1.2 | 115 | F142 Q143 P185 | F142-R145 WeakPolarHBondContact O-CA 3.42Å; F142-R145 PolarHBondContact O-N 3.01Å; Q143-R145 PolarHBondContact O-N 2.84Å; Q143-R145 VanDerWaalsContact O-N 3.13Å; R145-P185 WeakPolarHBondContact O-CD 3.13Å |
| 146 | T | 86.8 | Confident | 89.9 | Confident | 32 Ų | 32 | 64.4 Ų | 64.4 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | trans | -80.8 | 129.4 | 168.1 | -52.9 | 0 | 0 | 0 | 0 | 108.7 | F142 N144 | F142-T146 WeakPolarHBondContact CB-O 3.41Å; F142-T146 PolarHBondContact N-O 3.41Å; N144-T146 PolarHBondContact ND2-OG1 3.29Å; N144-T146 PolarHBondContact O-N 3.41Å; N144-T146 VanDerWaalsContact OD1-CB 3.26Å; N144-T146 WeakPolarHBondContact OD1-CB 3.16Å; N144-T146 PolarHBondContact OD1-N 2.84Å; N144-T146 PolarHBondContact OD1-OG1 2.92Å | ||
| 147 | C | 90.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.007 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 118.7 | 174.2 | -171.5 | 0 | 0 | 0 | 0 | 108.6 | Q140 L141 S182 W183 C214 | Q140-C147 CarbonylContact O-C 3.6Å; Q140-C147 WeakPolarHBondContact O-CA 3.45Å; L141-C147 HydrophobicContact CD1-CB 3.96Å; C147-S182 CarbonylContact O-C 3.56Å; C147-S182 WeakPolarHBondContact O-CA 2.9Å; C147-W183 WeakPolarHBondContact CA-O 3.24Å; C147-W183 HydrophobicContact CB-CE3 4.39Å; C147-W183 VanDerWaalsContact CB-O 3.3Å; C147-W183 WeakPolarHBondContact CB-O 3.28Å; C147-W183 PolarHBondContact N-O 3.27Å; C147-W183 PolarHBondContact O-N 2.87Å; C147-C214 HydrophobicContact CB-CB 3.65Å; C147-C214 WeakPolarHBondContact CB-SG 3.44Å; C147-C214 WeakPolarHBondContact SG-CB 3.35Å; C147-C214 CovalentContact SG-SG 2.03Å; C147-C214 PolarHBondContact SG-SG 3.01Å |
| 148 | E | 92.9 | Very high | 88.3 | Confident | 75 Ų | 75 | 66.7 Ų | 66.7 | 35% | 0.35 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 115 | 168.7 | 176.5 | 173.9 | -135 | 0 | 0 | 108.2 | S139 Q140 F142 T180 | S139-E148 CarbonylContact C-O 3.58Å; S139-E148 WeakPolarHBondContact CA-O 3.41Å; S139-E148 WeakPolarHBondContact CB-O 3.4Å; Q140-E148 PolarHBondContact N-O 2.93Å; Q140-E148 PolarHBondContact O-N 2.77Å; F142-E148 HydrophobicContact CD2-CB 4.22Å; F142-E148 HydrophobicContact CE2-CB 3.55Å; F142-E148 HydrophobicContact CE2-CG 4.45Å; F142-E148 WeakPolarHBondContact CE2-OE2 3.05Å; F142-E148 WeakPolarHBondContact CZ-OE2 3.5Å; E148-T180 HydrophobicContact CG-CG2 4.16Å |
| 149 | I | 93.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 118.2 | -176.1 | -65.3 | 173.5 | 0 | 0 | 0 | 108.1 | S139 L151 T180 T181 W183 Y193 A210 L213 | S139-I149 VanDerWaalsContact OG-CA 3.31Å; S139-I149 WeakPolarHBondContact OG-CA 3.22Å; I149-L151 HydrophobicContact CG2-CD1 3.76Å; I149-L151 HydrophobicContact CG2-CD2 4.12Å; I149-L151 HydrophobicContact CG2-CG 3.6Å; I149-T180 CarbonylContact O-C 3.55Å; I149-T180 VanDerWaalsContact O-CA 3.32Å; I149-T180 WeakPolarHBondContact O-CA 3.4Å; I149-T181 HydrophobicContact CB-CG2 3.75Å; I149-T181 HydrophobicContact CG2-CG2 3.98Å; I149-T181 PolarHBondContact N-O 2.93Å; I149-T181 PolarHBondContact O-N 2.85Å; I149-W183 HydrophobicContact CD1-CB 3.81Å; I149-Y193 HydrophobicContact CD1-CD2 4.45Å; I149-Y193 HydrophobicContact CD1-CE2 3.49Å; I149-Y193 VanDerWaalsContact CD1-CE2 3.49Å; I149-Y193 HydrophobicContact CG2-CE2 4.34Å; I149-A210 HydrophobicContact CD1-CB 4.22Å; I149-L213 HydrophobicContact CD1-CD1 4.31Å; I149-L213 HydrophobicContact CG2-CD1 4Å |
| 150 | H | 95.2 | Very high | 87 | Confident | 63 Ų | 63 | 71.2 Ų | 71.2 | 29% | 0.292 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 114 | 172.7 | -177.8 | -113.8 | 0 | 0 | 0 | 108.7 | Y138 I179 T180 | Y138-H150 AromaticContact CD2-ND1 3.48Å; Y138-H150 WeakPolarHBondContact CD2-ND1 3.37Å; Y138-H150 AromaticContact CG-ND1 3.84Å; Y138-H150 PolarHBondContact N-O 2.87Å; H150-I179 WeakPolarHBondContact CA-O 3.39Å; H150-I179 PolarHBondContact CD2-O 2.8Å; H150-T180 PolarHBondContact CD2-OG1 3.44Å |
| 151 | L | 96.3 | Very high | 87 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138.7 | -176.9 | -58.6 | 173.4 | 0 | 0 | 0 | 110 | V135 N136 N137 I149 W166 N178 I179 Y193 V208 L213 | V135-L151 HydrophobicContact CG1-CB 4.3Å; V135-L151 HydrophobicContact CG1-CD2 4.1Å; N136-L151 WeakPolarHBondContact O-CA 3.48Å; N137-L151 HydrophobicContact CB-CD2 4.04Å; I149-L151 HydrophobicContact CG2-CD1 3.76Å; I149-L151 HydrophobicContact CG2-CD2 4.12Å; I149-L151 HydrophobicContact CG2-CG 3.6Å; L151-W166 HydrophobicContact CB-CH2 3.58Å; L151-W166 HydrophobicContact CB-CZ2 3.72Å; L151-W166 HydrophobicContact CB-CZ3 4.38Å; L151-W166 HydrophobicContact CD1-CH2 3.76Å; L151-W166 HydrophobicContact CD1-CZ3 3.8Å; L151-W166 HydrophobicContact CG-CH2 4.28Å; L151-N178 WeakPolarHBondContact O-CA 3.47Å; L151-I179 HydrophobicContact CB-CD1 4.44Å; L151-I179 HydrophobicContact CB-CG1 3.9Å; L151-I179 HydrophobicContact CD1-CD1 4.14Å; L151-I179 HydrophobicContact CD1-CG1 4.48Å; L151-I179 PolarHBondContact N-O 2.85Å; L151-I179 PolarHBondContact O-N 2.86Å; L151-Y193 HydrophobicContact CD1-CD2 4.31Å; L151-Y193 HydrophobicContact CD1-CG 4.23Å; L151-V208 HydrophobicContact CD1-CG2 3.57Å; L151-V208 HydrophobicContact CD2-CG2 4.43Å; L151-L213 HydrophobicContact CD1-CD1 4.06Å; L151-L213 HydrophobicContact CD2-CD1 4.07Å; L151-L213 HydrophobicContact CD2-CD2 4.07Å |
| 152 | T | 96.8 | Very high | 87.4 | Confident | 30 Ų | 30 | 66.4 Ų | 66.4 | 18% | 0.184 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126.2 | 173.5 | -65.2 | 0 | 0 | 0 | 0 | 108.9 | V135 N136 N178 | V135-T152 CarbonylContact C-O 3.12Å; V135-T152 WeakPolarHBondContact CA-O 3.41Å; N136-T152 PolarHBondContact N-O 2.81Å; N136-T152 PolarHBondContact O-N 3.23Å; T152-N178 VanDerWaalsContact CB-OD1 3.32Å; T152-N178 WeakPolarHBondContact CB-OD1 3.24Å; T152-N178 WeakPolarHBondContact CG2-OD1 3.15Å; T152-N178 PolarHBondContact OG1-OD1 3.02Å |
| 153 | C | 96.4 | Very high | 88 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.02 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 137.3 | 176.4 | -167 | 0 | 0 | 0 | 0 | 110.9 | Q134 V135 F164 W166 P177 C195 | Q134-C153 WeakPolarHBondContact O-CA 3.38Å; V135-C153 HydrophobicContact CG2-CB 4.49Å; C153-F164 HydrophobicContact CB-CD1 4.17Å; C153-W166 HydrophobicContact CB-CZ2 3.69Å; C153-P177 WeakPolarHBondContact CB-O 3.41Å; C153-P177 PolarHBondContact N-O 2.75Å; C153-P177 WeakPolarHBondContact O-CB 3.22Å; C153-C195 HydrophobicContact CB-CB 3.71Å; C153-C195 WeakPolarHBondContact CB-SG 3.06Å; C153-C195 WeakPolarHBondContact SG-CB 3.14Å; C153-C195 CovalentContact SG-SG 2.02Å; C153-C195 PolarHBondContact SG-SG 2.82Å |
| 154 | S | 94.9 | Very high | 88.9 | Confident | 38 Ų | 38 | 56.5 Ų | 56.5 | 27% | 0.266 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 152.2 | 177.4 | 56.2 | 0 | 0 | 0 | 0 | 111 | Q134 | Q134-S154 PolarHBondContact N-O 2.91Å; Q134-S154 PolarHBondContact O-N 2.85Å |
| 155 | V | 95.1 | Very high | 89.7 | Confident | 11 Ų | 11 | 55 Ų | 55 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 141.4 | 170.2 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | L130 T132 I133 A158 F164 A197 | L130-V155 HydrophobicContact CB-CG1 4.24Å; L130-V155 HydrophobicContact CD2-CG1 3.97Å; T132-V155 WeakPolarHBondContact O-CA 3.42Å; T132-V155 WeakPolarHBondContact O-CG1 3.29Å; I133-V155 HydrophobicContact CG1-CG2 4.49Å; V155-A158 HydrophobicContact CB-CB 4.45Å; V155-A158 WeakPolarHBondContact O-CB 3.49Å; V155-A158 PolarHBondContact O-N 3.27Å; V155-F164 HydrophobicContact CG2-CE1 4.02Å; V155-F164 HydrophobicContact CG2-CZ 4.3Å; V155-A197 HydrophobicContact CG2-CB 3.4Å |
| 156 | E | 90.1 | Very high | 90.6 | Very high | 107 Ų | 107 | 48.1 Ų | 48.1 | 50% | 0.5 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 136.8 | 174 | -174.2 | 176.6 | -165.9 | 0 | 0 | 111 | T132 A158 | T132-E156 VanDerWaalsContact CB-OE2 3.26Å; T132-E156 WeakPolarHBondContact CB-OE2 3.47Å; T132-E156 PolarHBondContact O-N 3.09Å; T132-E156 PolarHBondContact OG1-OE2 2.91Å; E156-A158 PolarHBondContact O-N 2.02Å |
| 157 | D | 81.6 | Confident | 91.1 | Very high | 133 Ų | 133 | 49.3 Ų | 49.3 | 71% | 0.711 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 38.6 | -175.3 | -61.4 | -34.6 | 0 | 0 | 0 | 113.4 | D159 | D157-D159 PolarHBondContact O-N 2.85Š|
| 158 | A | 74.5 | Confident | 91.3 | Very high | 56 Ų | 56 | 49.6 Ų | 49.6 | 46% | 0.463 | 27% | 0.268 | S | S | . | . | trans | -57.2 | 125.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V155 E156 | V155-A158 HydrophobicContact CB-CB 4.45Å; V155-A158 WeakPolarHBondContact O-CB 3.49Å; V155-A158 PolarHBondContact O-N 3.27Å; E156-A158 PolarHBondContact O-N 2.02Å | ||
| 159 | D | 75.4 | Confident | 91.2 | Very high | 70 Ų | 70 | 52.5 Ų | 52.5 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | trans | -91.7 | 162.6 | 170.7 | -162.8 | -0.2 | 0 | 0 | 0 | 109.1 | D157 N161 V162 | D157-D159 PolarHBondContact O-N 2.85Å; D159-N161 PolarHBondContact O-N 2.86Å; D159-N161 PolarHBondContact OD2-ND2 2.74Å; D159-V162 PolarHBondContact O-N 2.82Å | ||
| 160 | D | 77.1 | Confident | 91 | Very high | 170 Ų | 170 | 56.5 Ų | 56.5 | 91% | 0.909 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -6.8 | -177 | -70.1 | -29 | 0 | 0 | 0 | 113.3 | ||
| 161 | N | 86.3 | Confident | 90.9 | Very high | 52 Ų | 52 | 56.4 Ų | 56.4 | 28% | 0.278 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 6.6 | -177 | 61.1 | 42.3 | 0 | 0 | 0 | 114.9 | F127 D159 | F127-N161 HydrophobicContact CD1-CB 4.23Å; F127-N161 WeakPolarHBondContact CD1-ND2 3.43Å; F127-N161 HydrophobicContact CE1-CB 3.84Å; D159-N161 PolarHBondContact O-N 2.86Å; D159-N161 PolarHBondContact OD2-ND2 2.74Å |
| 162 | V | 93.5 | Very high | 90.9 | Very high | 19 Ų | 19 | 60.4 Ų | 60.4 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | trans | -90.3 | 125.4 | 177.8 | -175 | 0 | 0 | 0 | 0 | 109.9 | L130 D159 F164 A197 E198 | L130-V162 HydrophobicContact CD1-CG1 4.36Å; L130-V162 HydrophobicContact CD2-CG1 4.41Å; L130-V162 HydrophobicContact CD2-CG2 3.7Å; D159-V162 PolarHBondContact O-N 2.82Å; V162-F164 HydrophobicContact CB-CE2 4.28Å; V162-F164 HydrophobicContact CG1-CD2 4.49Å; V162-F164 HydrophobicContact CG1-CE1 4.45Å; V162-F164 HydrophobicContact CG1-CE2 3.91Å; V162-F164 HydrophobicContact CG1-CZ 3.89Å; V162-A197 HydrophobicContact CG1-CB 4.12Å; V162-E198 WeakPolarHBondContact CA-O 3.31Å | ||
| 163 | S | 94.9 | Very high | 90.8 | Very high | 58 Ų | 58 | 62.9 Ų | 62.9 | 41% | 0.406 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 142.9 | 169.9 | 51.4 | 0 | 0 | 0 | 0 | 110.8 | A197 E198 | S163-A197 WeakPolarHBondContact O-CA 3.44Å; S163-E198 PolarHBondContact N-O 2.98Å; S163-E198 PolarHBondContact O-N 2.78Å; S163-E198 WeakPolarHBondContact OG-CG 3.45Å; S163-E198 PolarHBondContact OG-O 3.46Å |
| 164 | F | 96.1 | Very high | 90.8 | Very high | 33 Ų | 33 | 64 Ų | 64 | 15% | 0.145 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 146.1 | 177.4 | -63.9 | -92.5 | 0 | 0 | 0 | 109.6 | C153 V155 V162 S175 P177 I196 A197 | C153-F164 HydrophobicContact CB-CD1 4.17Å; V155-F164 HydrophobicContact CG2-CE1 4.02Å; V155-F164 HydrophobicContact CG2-CZ 4.3Å; V162-F164 HydrophobicContact CB-CE2 4.28Å; V162-F164 HydrophobicContact CG1-CD2 4.49Å; V162-F164 HydrophobicContact CG1-CE1 4.45Å; V162-F164 HydrophobicContact CG1-CE2 3.91Å; V162-F164 HydrophobicContact CG1-CZ 3.89Å; F164-S175 CarbonylContact O-C 3.5Å; F164-S175 VanDerWaalsContact O-CA 3.28Å; F164-S175 WeakPolarHBondContact O-CA 3.27Å; F164-P177 HydrophobicContact CB-CB 4.41Å; F164-P177 HydrophobicContact CD1-CB 4.37Å; F164-P177 HydrophobicContact CD2-CB 4.17Å; F164-P177 HydrophobicContact CG-CB 4.05Å; F164-I196 CarbonylContact C-O 3.6Å; F164-I196 WeakPolarHBondContact CA-O 3.27Å; F164-A197 HydrophobicContact CD1-CB 3.88Å; F164-A197 HydrophobicContact CE1-CB 3.79Å |
| 165 | R | 97.3 | Very high | 90.8 | Very high | 60 Ų | 60 | 66.8 Ų | 66.8 | 23% | 0.226 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 151.1 | 163.3 | 68 | 176.5 | -176.6 | -85.5 | -0.9 | 111.1 | E167 T172 S174 C195 I196 E198 | R165-E167 IonicContact CZ-OE1 3.85Å; R165-E167 IonicContact NE-OE1 3.08Å; R165-E167 PolarHBondContact NE-OE1 2.79Å; R165-E167 IonicContact NH2-OE1 3.77Å; R165-T172 HydrophobicContact CB-CG2 4.45Å; R165-S174 CarbonylContact C-O 3.58Å; R165-S174 VanDerWaalsContact CA-O 3.24Å; R165-S174 WeakPolarHBondContact CA-O 3.37Å; R165-C195 CarbonylContact O-C 3.45Å; R165-C195 WeakPolarHBondContact O-CA 3.29Å; R165-I196 HydrophobicContact CG-CB 3.88Å; R165-I196 HydrophobicContact CG-CD1 4.48Å; R165-I196 PolarHBondContact N-O 2.81Å; R165-I196 PolarHBondContact O-N 2.03Å; R165-E198 IonicContact CZ-OE2 3.8Å; R165-E198 IonicContact NH1-OE1 2.63Å; R165-E198 PolarHBondContact NH1-OE1 2.85Å; R165-E198 IonicContact NH1-OE2 2.96Å; R165-E198 PolarHBondContact NH1-OE2 3.34Å; R165-E198 IonicContact NH2-OE2 2.79Å |
| 166 | W | 97.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 133.8 | 173.5 | -76.2 | 91.9 | 0 | 0 | 0 | 110.2 | V135 L151 C153 T172 L173 S174 P177 I179 T194 C195 | V135-W166 HydrophobicContact CB-CH2 4.49Å; V135-W166 HydrophobicContact CG1-CH2 3.74Å; V135-W166 HydrophobicContact CG1-CZ2 4.49Å; V135-W166 HydrophobicContact CG2-CH2 3.88Å; V135-W166 HydrophobicContact CG2-CZ2 4.46Å; L151-W166 HydrophobicContact CB-CH2 3.58Å; L151-W166 HydrophobicContact CB-CZ2 3.72Å; L151-W166 HydrophobicContact CB-CZ3 4.38Å; L151-W166 HydrophobicContact CD1-CH2 3.76Å; L151-W166 HydrophobicContact CD1-CZ3 3.8Å; L151-W166 HydrophobicContact CG-CH2 4.28Å; C153-W166 HydrophobicContact CB-CZ2 3.69Å; W166-T172 CarbonylContact O-C 3.51Å; W166-T172 WeakPolarHBondContact O-CA 3.44Å; W166-L173 HydrophobicContact CB-CB 4.31Å; W166-L173 PolarHBondContact O-N 2.86Å; W166-S174 PolarHBondContact N-O 2.88Å; W166-P177 PolarHBondContact NE1-O 2.87Å; W166-I179 HydrophobicContact CB-CD1 4.18Å; W166-I179 HydrophobicContact CB-CG2 3.7Å; W166-I179 HydrophobicContact CD2-CD1 3.52Å; W166-I179 HydrophobicContact CD2-CG1 3.78Å; W166-I179 HydrophobicContact CD2-CG2 4.13Å; W166-I179 HydrophobicContact CE3-CD1 3.52Å; W166-I179 HydrophobicContact CE3-CG1 4.21Å; W166-I179 HydrophobicContact CG-CB 4.35Å; W166-I179 HydrophobicContact CG-CD1 3.85Å; W166-I179 HydrophobicContact CG-CG1 4.03Å; W166-I179 HydrophobicContact CG-CG2 3.44Å; W166-I179 VanDerWaalsContact CG-CG2 3.44Å; W166-I179 HydrophobicContact CH2-CD1 4.49Å; W166-I179 HydrophobicContact CZ2-CD1 4.49Å; W166-I179 HydrophobicContact CZ2-CG1 4.2Å; W166-I179 HydrophobicContact CZ3-CD1 4.05Å; W166-T194 CarbonylContact C-O 3.49Å; W166-T194 WeakPolarHBondContact CA-O 3.11Å; W166-C195 HydrophobicContact CD2-CB 3.96Å; W166-C195 HydrophobicContact CE3-CB 3.91Å; W166-C195 HydrophobicContact CH2-CB 3.73Å; W166-C195 HydrophobicContact CZ2-CB 3.78Å; W166-C195 HydrophobicContact CZ3-CB 3.79Å |
| 167 | E | 97.1 | Very high | 91 | Very high | 57 Ų | 57 | 69.2 Ų | 69.2 | 27% | 0.266 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139.1 | 177.6 | -67.9 | 178.1 | -172.4 | 0 | 0 | 110.6 | R165 S171 T194 I196 | R165-E167 IonicContact CZ-OE1 3.85Å; R165-E167 IonicContact NE-OE1 3.08Å; R165-E167 PolarHBondContact NE-OE1 2.79Å; R165-E167 IonicContact NH2-OE1 3.77Å; E167-S171 VanDerWaalsContact CA-O 3.27Å; E167-S171 WeakPolarHBondContact CA-O 3.48Å; E167-T194 PolarHBondContact N-O 2.84Å; E167-T194 PolarHBondContact O-N 2.78Å; E167-I196 HydrophobicContact CG-CD1 4.33Å |
| 168 | A | 94.6 | Very high | 91.7 | Very high | 6 Ų | 6 | 66 Ų | 66 | 5% | 0.05 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 145.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | G170 S171 L173 Y193 | A168-G170 PolarHBondContact O-N 2.79Å; A168-S171 PolarHBondContact N-O 2.56Å; A168-S171 PolarHBondContact O-N 2.96Å; A168-S171 VanDerWaalsContact O-O 3.13Å; A168-S171 PolarHBondContact O-OG 2.86Å; A168-L173 HydrophobicContact CB-CD1 3.57Å; A168-L173 HydrophobicContact CB-CD2 4.39Å; A168-L173 HydrophobicContact CB-CG 4.04Å; A168-Y193 HydrophobicContact CB-CD1 3.96Å; A168-Y193 HydrophobicContact CB-CE1 4.28Å |
| 169 | L | 91.6 | Very high | 92.8 | Very high | 137 Ų | 137 | 63.9 Ų | 63.9 | 72% | 0.717 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 32 | 180 | -56.4 | 175.8 | 0 | 0 | 0 | 113.9 | S171 Q191 | L169-S171 VanDerWaalsContact C-N 3.32Å; L169-S171 PolarHBondContact O-N 3.29Å; L169-Q191 HydrophobicContact CD2-CB 3.93Å; L169-Q191 HydrophobicContact CG-CB 4.32Å |
| 170 | G | 89.4 | Confident | 93.7 | Very high | 84 Ų | 84 | 64.8 Ų | 64.8 | 87% | 0.866 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 12.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | A168 | A168-G170 PolarHBondContact O-N 2.79Š|
| 171 | S | 92.3 | Very high | 94.5 | Very high | 61 Ų | 61 | 58.5 Ų | 58.5 | 43% | 0.427 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 146.1 | 179.7 | 64.3 | 0 | 0 | 0 | 0 | 111.9 | E167 A168 L169 L173 | E167-S171 VanDerWaalsContact CA-O 3.27Å; E167-S171 WeakPolarHBondContact CA-O 3.48Å; A168-S171 PolarHBondContact N-O 2.56Å; A168-S171 PolarHBondContact O-N 2.96Å; A168-S171 VanDerWaalsContact O-O 3.13Å; A168-S171 PolarHBondContact O-OG 2.86Å; L169-S171 VanDerWaalsContact C-N 3.32Å; L169-S171 PolarHBondContact O-N 3.29Å; S171-L173 PolarHBondContact O-N 2.86Å |
| 172 | T | 95.7 | Very high | 94.8 | Very high | 84 Ų | 84 | 59.8 Ų | 59.8 | 52% | 0.515 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 120.3 | 172.6 | -51.5 | 0 | 0 | 0 | 0 | 110 | R165 W166 | R165-T172 HydrophobicContact CB-CG2 4.45Å; W166-T172 CarbonylContact O-C 3.51Å; W166-T172 WeakPolarHBondContact O-CA 3.44Å |
| 173 | L | 94.6 | Very high | 94.7 | Very high | 81 Ų | 81 | 59.8 Ų | 59.8 | 42% | 0.424 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -40.8 | 177.4 | -63.9 | -179.3 | 0 | 0 | 0 | 112.2 | W166 A168 S171 I179 Y193 | W166-L173 HydrophobicContact CB-CB 4.31Å; W166-L173 PolarHBondContact O-N 2.86Å; A168-L173 HydrophobicContact CB-CD1 3.57Å; A168-L173 HydrophobicContact CB-CD2 4.39Å; A168-L173 HydrophobicContact CB-CG 4.04Å; S171-L173 PolarHBondContact O-N 2.86Å; L173-I179 HydrophobicContact CD1-CD1 4.46Å; L173-Y193 HydrophobicContact CD1-CD1 3.78Å; L173-Y193 HydrophobicContact CD1-CE1 4Å |
| 174 | S | 96.2 | Very high | 94.3 | Very high | 27 Ų | 27 | 57.7 Ų | 57.7 | 19% | 0.189 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 152.4 | -175.4 | -177.7 | 0 | 0 | 0 | 0 | 110.6 | R165 W166 E176 I179 | R165-S174 CarbonylContact C-O 3.58Å; R165-S174 VanDerWaalsContact CA-O 3.24Å; R165-S174 WeakPolarHBondContact CA-O 3.37Å; W166-S174 PolarHBondContact N-O 2.88Å; S174-E176 WeakPolarHBondContact OG-CB 3.35Å; S174-E176 PolarHBondContact OG-N 2.97Å; S174-E176 VanDerWaalsContact OG-N 3.08Å; S174-I179 VanDerWaalsContact CB-CG2 3.46Å |
| 175 | S | 95.7 | Very high | 93.8 | Very high | 96 Ų | 96 | 59.5 Ų | 59.5 | 67% | 0.671 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -107.2 | 17.7 | 170.1 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | F164 | F164-S175 CarbonylContact O-C 3.5Å; F164-S175 VanDerWaalsContact O-CA 3.28Å; F164-S175 WeakPolarHBondContact O-CA 3.27Å |
| 176 | E | 94.7 | Very high | 93.1 | Very high | 124 Ų | 124 | 63.7 Ų | 63.7 | 58% | 0.579 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -105.7 | 159.4 | 176.2 | -67.4 | -170.7 | -178.5 | 0 | 0 | 110.6 | S174 N178 | S174-E176 WeakPolarHBondContact OG-CB 3.35Å; S174-E176 PolarHBondContact OG-N 2.97Å; S174-E176 VanDerWaalsContact OG-N 3.08Å; E176-N178 PolarHBondContact O-N 2.84Å |
| 177 | P | 94.9 | Very high | 92.5 | Very high | 46 Ų | 46 | 70.5 Ų | 70.5 | 30% | 0.299 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -64 | -23.7 | 174.7 | 24.9 | -34.6 | 0 | 0 | 0 | 113 | C153 F164 W166 | C153-P177 WeakPolarHBondContact CB-O 3.41Å; C153-P177 PolarHBondContact N-O 2.75Å; C153-P177 WeakPolarHBondContact O-CB 3.22Å; F164-P177 HydrophobicContact CB-CB 4.41Å; F164-P177 HydrophobicContact CD1-CB 4.37Å; F164-P177 HydrophobicContact CD2-CB 4.17Å; F164-P177 HydrophobicContact CG-CB 4.05Å; W166-P177 PolarHBondContact NE1-O 2.87Å |
| 178 | N | 96.5 | Very high | 91.9 | Very high | 66 Ų | 66 | 69.6 Ų | 69.6 | 35% | 0.353 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 143.2 | -176 | -57.9 | -39.6 | 0 | 0 | 0 | 111.7 | L151 T152 E176 | L151-N178 WeakPolarHBondContact O-CA 3.47Å; T152-N178 VanDerWaalsContact CB-OD1 3.32Å; T152-N178 WeakPolarHBondContact CB-OD1 3.24Å; T152-N178 WeakPolarHBondContact CG2-OD1 3.15Å; T152-N178 PolarHBondContact OG1-OD1 3.02Å; E176-N178 PolarHBondContact O-N 2.84Å |
| 179 | I | 96.6 | Very high | 91.4 | Very high | 11 Ų | 11 | 71.8 Ų | 71.8 | 6% | 0.056 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 146.1 | 167.4 | 56.6 | 166.1 | 0 | 0 | 0 | 111.9 | H150 L151 W166 L173 S174 Y193 | H150-I179 WeakPolarHBondContact CA-O 3.39Å; H150-I179 PolarHBondContact CD2-O 2.8Å; L151-I179 HydrophobicContact CB-CD1 4.44Å; L151-I179 HydrophobicContact CB-CG1 3.9Å; L151-I179 HydrophobicContact CD1-CD1 4.14Å; L151-I179 HydrophobicContact CD1-CG1 4.48Å; L151-I179 PolarHBondContact N-O 2.85Å; L151-I179 PolarHBondContact O-N 2.86Å; W166-I179 HydrophobicContact CB-CD1 4.18Å; W166-I179 HydrophobicContact CB-CG2 3.7Å; W166-I179 HydrophobicContact CD2-CD1 3.52Å; W166-I179 HydrophobicContact CD2-CG1 3.78Å; W166-I179 HydrophobicContact CD2-CG2 4.13Å; W166-I179 HydrophobicContact CE3-CD1 3.52Å; W166-I179 HydrophobicContact CE3-CG1 4.21Å; W166-I179 HydrophobicContact CG-CB 4.35Å; W166-I179 HydrophobicContact CG-CD1 3.85Å; W166-I179 HydrophobicContact CG-CG1 4.03Å; W166-I179 HydrophobicContact CG-CG2 3.44Å; W166-I179 VanDerWaalsContact CG-CG2 3.44Å; W166-I179 HydrophobicContact CH2-CD1 4.49Å; W166-I179 HydrophobicContact CZ2-CD1 4.49Å; W166-I179 HydrophobicContact CZ2-CG1 4.2Å; W166-I179 HydrophobicContact CZ3-CD1 4.05Å; L173-I179 HydrophobicContact CD1-CD1 4.46Å; S174-I179 VanDerWaalsContact CB-CG2 3.46Å; I179-Y193 HydrophobicContact CD1-CD1 4.08Å; I179-Y193 HydrophobicContact CD1-CG 4.44Å |
| 180 | T | 95.1 | Very high | 91.2 | Very high | 89 Ų | 89 | 72.9 Ų | 72.9 | 55% | 0.546 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127.7 | 167.9 | -48.7 | 0 | 0 | 0 | 0 | 108.6 | E148 I149 H150 | E148-T180 HydrophobicContact CG-CG2 4.16Å; I149-T180 CarbonylContact O-C 3.55Å; I149-T180 VanDerWaalsContact O-CA 3.32Å; I149-T180 WeakPolarHBondContact O-CA 3.4Å; H150-T180 PolarHBondContact CD2-OG1 3.44Å |
| 181 | T | 93.6 | Very high | 91.3 | Very high | 38 Ų | 38 | 70.3 Ų | 70.3 | 23% | 0.233 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 162.5 | -178 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | I149 Y193 | I149-T181 HydrophobicContact CB-CG2 3.75Å; I149-T181 HydrophobicContact CG2-CG2 3.98Å; I149-T181 PolarHBondContact N-O 2.93Å; I149-T181 PolarHBondContact O-N 2.85Å; T181-Y193 HydrophobicContact CG2-CD1 4.33Å; T181-Y193 HydrophobicContact CG2-CE1 3.48Å; T181-Y193 VanDerWaalsContact CG2-CE1 3.48Å; T181-Y193 HydrophobicContact CG2-CE2 4.31Å; T181-Y193 VanDerWaalsContact CG2-CZ 3.42Å; T181-Y193 WeakPolarHBondContact CG2-OH 3.4Å |
| 182 | S | 91.6 | Very high | 91.4 | Very high | 79 Ų | 79 | 71.5 Ų | 71.5 | 55% | 0.552 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 140 | 177.5 | 58.9 | 0 | 0 | 0 | 0 | 110.6 | C147 | C147-S182 CarbonylContact O-C 3.56Å; C147-S182 WeakPolarHBondContact O-CA 2.9Å |
| 183 | W | 91.8 | Very high | 91.4 | Very high | 19 Ų | 19 | 67.5 Ų | 67.5 | 7% | 0.072 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 129.7 | 177.8 | -176.5 | 83.2 | 0 | 0 | 0 | 109.1 | C147 I149 P185 G189 A210 Q211 C214 | C147-W183 WeakPolarHBondContact CA-O 3.24Å; C147-W183 HydrophobicContact CB-CE3 4.39Å; C147-W183 VanDerWaalsContact CB-O 3.3Å; C147-W183 WeakPolarHBondContact CB-O 3.28Å; C147-W183 PolarHBondContact N-O 3.27Å; C147-W183 PolarHBondContact O-N 2.87Å; I149-W183 HydrophobicContact CD1-CB 3.81Å; W183-P185 HydrophobicContact CH2-CB 3.53Å; W183-P185 HydrophobicContact CH2-CG 4.4Å; W183-P185 HydrophobicContact CZ2-CB 4.27Å; W183-P185 HydrophobicContact CZ3-CB 3.69Å; W183-P185 HydrophobicContact CZ3-CG 4.07Å; W183-G189 PolarHBondContact NE1-O 3.11Å; W183-A210 HydrophobicContact CB-CB 4.48Å; W183-A210 HydrophobicContact CD2-CB 3.8Å; W183-A210 HydrophobicContact CE3-CB 4.5Å; W183-A210 HydrophobicContact CG-CB 3.76Å; W183-A210 HydrophobicContact CZ2-CB 4.47Å; W183-Q211 HydrophobicContact CH2-CB 4.47Å; W183-Q211 HydrophobicContact CH2-CG 3.9Å; W183-Q211 HydrophobicContact CZ2-CG 3.81Å; W183-C214 HydrophobicContact CE3-CB 3.78Å; W183-C214 HydrophobicContact CZ3-CB 3.77Å |
| 184 | D | 87.9 | Confident | 91.6 | Very high | 13 Ų | 13 | 65 Ų | 65 | 7% | 0.07 | 37% | 0.367 | C | S | . | . | trans | -123 | 118.1 | 176.1 | 178.5 | -22.5 | 0 | 0 | 0 | 109 | R186 I187 S188 | D184-R186 PolarHBondContact O-N 3.39Å; D184-R186 VanDerWaalsContact OD1-CB 3.29Å; D184-R186 WeakPolarHBondContact OD1-CB 3.4Å; D184-R186 WeakPolarHBondContact OD1-CG 3.32Å; D184-R186 IonicContact OD1-CZ 3.45Å; D184-R186 PolarHBondContact OD1-N 3.24Å; D184-R186 IonicContact OD1-NE 3.31Å; D184-R186 PolarHBondContact OD1-NE 2.83Å; D184-R186 VanDerWaalsContact OD1-NE 3.08Å; D184-R186 IonicContact OD1-NH2 2.72Å; D184-R186 IonicContact OD2-CZ 3.9Å; D184-R186 IonicContact OD2-NE 3.81Å; D184-R186 PolarHBondContact OD2-NE 2.95Å; D184-R186 IonicContact OD2-NH2 3.98Å; D184-R186 PolarHBondContact OD2-NH2 3.27Å; D184-I187 HydrophobicContact CB-CD1 4Å; D184-I187 HydrophobicContact CB-CG1 3.6Å; D184-I187 PolarHBondContact O-N 2.97Å; D184-I187 VanDerWaalsContact O-N 3.1Å; D184-S188 PolarHBondContact N-OG 3.48Å; D184-S188 VanDerWaalsContact O-CB 3.23Å; D184-S188 WeakPolarHBondContact O-CB 3.48Å; D184-S188 PolarHBondContact O-N 3.44Å; D184-S188 PolarHBondContact O-OG 2.98Å | ||
| 185 | P | 83.8 | Confident | 91.6 | Very high | 72 Ų | 72 | 63.7 Ų | 63.7 | 47% | 0.468 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -15.1 | -176 | 23.5 | -33.5 | 0 | 0 | 0 | 114.3 | R145 W183 | R145-P185 WeakPolarHBondContact O-CD 3.13Å; W183-P185 HydrophobicContact CH2-CB 3.53Å; W183-P185 HydrophobicContact CH2-CG 4.4Å; W183-P185 HydrophobicContact CZ2-CB 4.27Å; W183-P185 HydrophobicContact CZ3-CB 3.69Å; W183-P185 HydrophobicContact CZ3-CG 4.07Å |
| 186 | R | 83.5 | Confident | 91.7 | Very high | 147 Ų | 147 | 59.8 Ų | 59.8 | 56% | 0.555 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -25.9 | -179.6 | -59.8 | 173.6 | -67.2 | -159.8 | -0.6 | 113.4 | N144 D184 | N144-R186 PolarHBondContact O-NH1 2.76Å; N144-R186 PolarHBondContact O-NH2 2.89Å; D184-R186 PolarHBondContact O-N 3.39Å; D184-R186 VanDerWaalsContact OD1-CB 3.29Å; D184-R186 WeakPolarHBondContact OD1-CB 3.4Å; D184-R186 WeakPolarHBondContact OD1-CG 3.32Å; D184-R186 IonicContact OD1-CZ 3.45Å; D184-R186 PolarHBondContact OD1-N 3.24Å; D184-R186 IonicContact OD1-NE 3.31Å; D184-R186 PolarHBondContact OD1-NE 2.83Å; D184-R186 VanDerWaalsContact OD1-NE 3.08Å; D184-R186 IonicContact OD1-NH2 2.72Å; D184-R186 IonicContact OD2-CZ 3.9Å; D184-R186 IonicContact OD2-NE 3.81Å; D184-R186 PolarHBondContact OD2-NE 2.95Å; D184-R186 IonicContact OD2-NH2 3.98Å; D184-R186 PolarHBondContact OD2-NH2 3.27Å |
| 187 | I | 85.4 | Confident | 91.8 | Very high | 143 Ų | 143 | 53.9 Ų | 53.9 | 73% | 0.733 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | -27.3 | -172 | 54.9 | 168.3 | 0 | 0 | 0 | 112.7 | D184 | D184-I187 HydrophobicContact CB-CD1 4Å; D184-I187 HydrophobicContact CB-CG1 3.6Å; D184-I187 PolarHBondContact O-N 2.97Å; D184-I187 VanDerWaalsContact O-N 3.1Å |
| 188 | S | 84.7 | Confident | 91.8 | Very high | 38 Ų | 38 | 54.9 Ų | 54.9 | 27% | 0.266 | 30% | 0.303 | S | S | . | . | trans | -90.8 | 136 | 179 | -56.1 | 0 | 0 | 0 | 0 | 109.9 | D184 | D184-S188 PolarHBondContact N-OG 3.48Å; D184-S188 VanDerWaalsContact O-CB 3.23Å; D184-S188 WeakPolarHBondContact O-CB 3.48Å; D184-S188 PolarHBondContact O-N 3.44Å; D184-S188 PolarHBondContact O-OG 2.98Å | ||
| 189 | G | 83.9 | Confident | 91.7 | Very high | 53 Ų | 53 | 52.7 Ų | 52.7 | 55% | 0.546 | 29% | 0.291 | S | S | . | . | trans | -71.8 | 178.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | W183 Q191 | W183-G189 PolarHBondContact NE1-O 3.11Å; G189-Q191 PolarHBondContact O-N 3.36Å | ||
| 190 | E | 86.7 | Confident | 91.6 | Very high | 160 Ų | 160 | 54.8 Ų | 54.8 | 75% | 0.748 | 31% | 0.31 | S | S | * | . | trans | -61.9 | 127.8 | 168.9 | -57.6 | -148.7 | 133.2 | 0 | 0 | 110 | Q211 | E190-Q211 PolarHBondContact OE1-NE2 3.31Š| ||
| 191 | Q | 91.8 | Very high | 91.6 | Very high | 29 Ų | 29 | 52.6 Ų | 52.6 | 14% | 0.136 | 30% | 0.296 | C | S | . | . | trans | -149.5 | 144.7 | 177.6 | 72.2 | -175.7 | 9.3 | 0 | 0 | 112 | L169 G189 Y193 A210 | L169-Q191 HydrophobicContact CD2-CB 3.93Å; L169-Q191 HydrophobicContact CG-CB 4.32Å; G189-Q191 PolarHBondContact O-N 3.36Å; Q191-Y193 HydrophobicContact CG-CE2 4.35Å; Q191-Y193 PolarHBondContact NE2-OH 3.48Å; Q191-A210 HydrophobicContact CG-CB 3.94Å; Q191-A210 WeakPolarHBondContact O-CB 3.36Å; Q191-A210 PolarHBondContact O-N 2.97Å | ||
| 192 | D | 95.2 | Very high | 91.7 | Very high | 86 Ų | 86 | 51.6 Ų | 51.6 | 46% | 0.46 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136.3 | 174.1 | -64.1 | -36.1 | 0 | 0 | 0 | 109.8 | V208 S209 | D192-V208 WeakPolarHBondContact CA-O 3.42Å; D192-S209 WeakPolarHBondContact OD1-CA 3.48Å; D192-S209 VanDerWaalsContact OD1-CB 3.22Å; D192-S209 WeakPolarHBondContact OD1-CB 3.33Å |
| 193 | Y | 95.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 117.8 | 168.8 | -57.5 | -80.3 | 0 | 0 | 0 | 108.2 | I149 L151 A168 L173 I179 T181 Q191 S207 V208 A210 L213 | I149-Y193 HydrophobicContact CD1-CD2 4.45Å; I149-Y193 HydrophobicContact CD1-CE2 3.49Å; I149-Y193 VanDerWaalsContact CD1-CE2 3.49Å; I149-Y193 HydrophobicContact CG2-CE2 4.34Å; L151-Y193 HydrophobicContact CD1-CD2 4.31Å; L151-Y193 HydrophobicContact CD1-CG 4.23Å; A168-Y193 HydrophobicContact CB-CD1 3.96Å; A168-Y193 HydrophobicContact CB-CE1 4.28Å; L173-Y193 HydrophobicContact CD1-CD1 3.78Å; L173-Y193 HydrophobicContact CD1-CE1 4Å; I179-Y193 HydrophobicContact CD1-CD1 4.08Å; I179-Y193 HydrophobicContact CD1-CG 4.44Å; T181-Y193 HydrophobicContact CG2-CD1 4.33Å; T181-Y193 HydrophobicContact CG2-CE1 3.48Å; T181-Y193 VanDerWaalsContact CG2-CE1 3.48Å; T181-Y193 HydrophobicContact CG2-CE2 4.31Å; T181-Y193 VanDerWaalsContact CG2-CZ 3.42Å; T181-Y193 WeakPolarHBondContact CG2-OH 3.4Å; Q191-Y193 HydrophobicContact CG-CE2 4.35Å; Q191-Y193 PolarHBondContact NE2-OH 3.48Å; Y193-S207 CarbonylContact O-C 3.57Å; Y193-S207 WeakPolarHBondContact O-CA 3.16Å; Y193-V208 PolarHBondContact N-O 2.75Å; Y193-V208 PolarHBondContact O-N 2.85Å; Y193-A210 HydrophobicContact CE2-CB 3.82Å; Y193-L213 HydrophobicContact CD2-CD1 4.24Å |
| 194 | T | 97.6 | Very high | 92.1 | Very high | 27 Ų | 27 | 54.1 Ų | 54.1 | 17% | 0.166 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116.3 | -179.2 | -57.6 | 0 | 0 | 0 | 0 | 109.3 | W166 E167 I196 F206 S207 | W166-T194 CarbonylContact C-O 3.49Å; W166-T194 WeakPolarHBondContact CA-O 3.11Å; E167-T194 PolarHBondContact N-O 2.84Å; E167-T194 PolarHBondContact O-N 2.78Å; T194-I196 HydrophobicContact CG2-CG1 4.02Å; T194-F206 WeakPolarHBondContact CA-O 3.38Å; T194-S207 WeakPolarHBondContact CB-OG 3.49Å; T194-S207 VanDerWaalsContact CG2-OG 3.29Å; T194-S207 WeakPolarHBondContact CG2-OG 3.34Å; T194-S207 WeakPolarHBondContact OG1-CB 3.3Å; T194-S207 PolarHBondContact OG1-OG 2.83Å |
| 195 | C | 97.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 135.3 | 164.5 | 176.3 | 0 | 0 | 0 | 0 | 108.9 | I133 V135 C153 R165 W166 S205 F206 | I133-C195 HydrophobicContact CD1-CB 4.44Å; V135-C195 HydrophobicContact CG2-CB 4.08Å; C153-C195 HydrophobicContact CB-CB 3.71Å; C153-C195 WeakPolarHBondContact CB-SG 3.06Å; C153-C195 WeakPolarHBondContact SG-CB 3.14Å; C153-C195 CovalentContact SG-SG 2.02Å; C153-C195 PolarHBondContact SG-SG 2.82Å; R165-C195 CarbonylContact O-C 3.45Å; R165-C195 WeakPolarHBondContact O-CA 3.29Å; W166-C195 HydrophobicContact CD2-CB 3.96Å; W166-C195 HydrophobicContact CE3-CB 3.91Å; W166-C195 HydrophobicContact CH2-CB 3.73Å; W166-C195 HydrophobicContact CZ2-CB 3.78Å; W166-C195 HydrophobicContact CZ3-CB 3.79Å; C195-S205 CarbonylContact O-C 3.51Å; C195-S205 WeakPolarHBondContact O-CA 2.98Å; C195-F206 PolarHBondContact N-O 2.82Å; C195-F206 PolarHBondContact O-N 2.69Å |
| 196 | I | 97.1 | Very high | 93.1 | Very high | 15 Ų | 15 | 58 Ų | 58 | 8% | 0.077 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 122.6 | 170.8 | -54.3 | 173 | 0 | 0 | 0 | 107.3 | F164 R165 E167 T194 L204 | F164-I196 CarbonylContact C-O 3.6Å; F164-I196 WeakPolarHBondContact CA-O 3.27Å; R165-I196 HydrophobicContact CG-CB 3.88Å; R165-I196 HydrophobicContact CG-CD1 4.48Å; R165-I196 PolarHBondContact N-O 2.81Å; R165-I196 PolarHBondContact O-N 2.03Å; E167-I196 HydrophobicContact CG-CD1 4.33Å; T194-I196 HydrophobicContact CG2-CG1 4.02Å; I196-L204 CarbonylContact C-O 3.51Å; I196-L204 WeakPolarHBondContact CA-O 3.17Å |
| 197 | A | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 129.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | L130 I133 V155 V162 S163 F164 N203 L204 | L130-A197 HydrophobicContact CD1-CB 4.38Å; L130-A197 WeakPolarHBondContact CD1-O 2.94Å; I133-A197 HydrophobicContact CD1-CB 4.03Å; V155-A197 HydrophobicContact CG2-CB 3.4Å; V162-A197 HydrophobicContact CG1-CB 4.12Å; S163-A197 WeakPolarHBondContact O-CA 3.44Å; F164-A197 HydrophobicContact CD1-CB 3.88Å; F164-A197 HydrophobicContact CE1-CB 3.79Å; A197-N203 CarbonylContact O-C 3.57Å; A197-N203 WeakPolarHBondContact O-CA 3.49Å; A197-L204 PolarHBondContact N-O 3.1Å; A197-L204 PolarHBondContact O-N 2.72Å |
| 198 | E | 95.3 | Very high | 94.2 | Very high | 67 Ų | 67 | 48.3 Ų | 48.3 | 31% | 0.313 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 150 | -176.7 | 70.8 | -169.7 | 175.3 | 0 | 0 | 111.9 | V162 S163 R165 S202 N203 | V162-E198 WeakPolarHBondContact CA-O 3.31Å; S163-E198 PolarHBondContact N-O 2.98Å; S163-E198 PolarHBondContact O-N 2.78Å; S163-E198 WeakPolarHBondContact OG-CG 3.45Å; S163-E198 PolarHBondContact OG-O 3.46Å; R165-E198 IonicContact CZ-OE2 3.8Å; R165-E198 IonicContact NH1-OE1 2.63Å; R165-E198 PolarHBondContact NH1-OE1 2.85Å; R165-E198 IonicContact NH1-OE2 2.96Å; R165-E198 PolarHBondContact NH1-OE2 3.34Å; R165-E198 IonicContact NH2-OE2 2.79Å; E198-S202 WeakPolarHBondContact CA-O 3.39Å; E198-N203 HydrophobicContact CB-CB 3.94Å |
| 199 | N | 94.8 | Very high | 94.6 | Very high | 19 Ų | 19 | 47.9 Ų | 47.9 | 10% | 0.102 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | -177.8 | 166 | 70.5 | 9.5 | 0 | 0 | 0 | 109.1 | R128 V201 S202 | R128-N199 PolarHBondContact O-ND2 2.87Å; N199-V201 PolarHBondContact O-N 3.08Å; N199-V201 WeakPolarHBondContact OD1-CG2 3.16Å; N199-V201 PolarHBondContact OD1-N 3.31Å; N199-S202 PolarHBondContact N-O 3.49Å; N199-S202 PolarHBondContact O-N 3.43Å; N199-S202 PolarHBondContact OD1-N 2.98Å; N199-S202 PolarHBondContact OD1-O 2.91Å; N199-S202 PolarHBondContact OD1-OG 2.86Å |
| 200 | A | 94.4 | Very high | 95 | Very high | 55 Ų | 55 | 45.4 Ų | 45.4 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -8.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | N31 F127 | N31-A200 HydrophobicContact CB-CB 4.46Å; N31-A200 WeakPolarHBondContact ND2-CB 3.41Å; F127-A200 HydrophobicContact CD1-CB 4.39Å; F127-A200 HydrophobicContact CD2-CB 4.09Å; F127-A200 HydrophobicContact CE1-CB 4.03Å; F127-A200 HydrophobicContact CE2-CB 3.71Å; F127-A200 HydrophobicContact CG-CB 4.42Å; F127-A200 HydrophobicContact CZ-CB 3.67Å |
| 201 | V | 94.3 | Very high | 95.1 | Very high | 43 Ų | 43 | 40.1 Ų | 40.1 | 26% | 0.261 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | -12.2 | -176.4 | -58.8 | 0 | 0 | 0 | 0 | 114.2 | N31 V33 F127 N199 | N31-V201 HydrophobicContact CB-CG1 3.94Å; V33-V201 HydrophobicContact CG2-CB 3.84Å; V33-V201 HydrophobicContact CG2-CG1 4.05Å; V33-V201 HydrophobicContact CG2-CG2 4.07Å; F127-V201 HydrophobicContact CB-CB 4.46Å; F127-V201 HydrophobicContact CB-CG1 4.05Å; F127-V201 HydrophobicContact CB-CG2 3.55Å; F127-V201 HydrophobicContact CD2-CG1 3.91Å; F127-V201 HydrophobicContact CG-CG1 4.27Å; F127-V201 HydrophobicContact CG-CG2 4.41Å; N199-V201 PolarHBondContact O-N 3.08Å; N199-V201 WeakPolarHBondContact OD1-CG2 3.16Å; N199-V201 PolarHBondContact OD1-N 3.31Å |
| 202 | S | 94.8 | Very high | 94.9 | Very high | 17 Ų | 17 | 46.9 Ų | 46.9 | 12% | 0.119 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 156 | -173.7 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | L130 E198 N199 | L130-S202 WeakPolarHBondContact CG-OG 3.32Å; L130-S202 PolarHBondContact N-OG 3.06Å; L130-S202 VanDerWaalsContact N-OG 3.08Å; E198-S202 WeakPolarHBondContact CA-O 3.39Å; N199-S202 PolarHBondContact N-O 3.49Å; N199-S202 PolarHBondContact O-N 3.43Å; N199-S202 PolarHBondContact OD1-N 2.98Å; N199-S202 PolarHBondContact OD1-O 2.91Å; N199-S202 PolarHBondContact OD1-OG 2.86Å |
| 203 | N | 95.4 | Very high | 94.6 | Very high | 109 Ų | 109 | 43.9 Ų | 43.9 | 58% | 0.583 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 148.4 | 174.4 | 67.3 | -21 | 0 | 0 | 0 | 111.3 | A197 E198 | A197-N203 CarbonylContact O-C 3.57Å; A197-N203 WeakPolarHBondContact O-CA 3.49Å; E198-N203 HydrophobicContact CB-CB 3.94Å |
| 204 | L | 96.4 | Very high | 94.2 | Very high | 42 Ų | 42 | 44.3 Ų | 44.3 | 22% | 0.22 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 147.6 | 171.7 | -69.1 | 179.2 | 0 | 0 | 0 | 109.2 | L130 R131 I133 I196 A197 | L130-L204 HydrophobicContact CB-CD1 3.62Å; L130-L204 HydrophobicContact CB-CG 3.87Å; R131-L204 WeakPolarHBondContact O-CD1 3.3Å; I133-L204 HydrophobicContact CB-CB 4.07Å; I133-L204 HydrophobicContact CB-CD1 4.13Å; I133-L204 HydrophobicContact CD1-CB 4.31Å; I133-L204 HydrophobicContact CG2-CB 4Å; I133-L204 HydrophobicContact CG2-CD1 4.31Å; I196-L204 CarbonylContact C-O 3.51Å; I196-L204 WeakPolarHBondContact CA-O 3.17Å; A197-L204 PolarHBondContact N-O 3.1Å; A197-L204 PolarHBondContact O-N 2.72Å |
| 205 | S | 96.6 | Very high | 93 | Very high | 79 Ų | 79 | 46 Ų | 46 | 55% | 0.552 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 142.7 | 176.5 | 60.1 | 0 | 0 | 0 | 0 | 111.1 | C195 | C195-S205 CarbonylContact O-C 3.51Å; C195-S205 WeakPolarHBondContact O-CA 2.98Å |
| 206 | F | 96.8 | Very high | 91.2 | Very high | 89 Ų | 89 | 53 Ų | 53 | 39% | 0.39 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 124.8 | 175 | -165.7 | -86.5 | 0 | 0 | 0 | 110.4 | I133 V135 T194 C195 V208 | I133-F206 HydrophobicContact CD1-CB 4.04Å; I133-F206 HydrophobicContact CG1-CB 4.1Å; I133-F206 HydrophobicContact CG2-CB 3.88Å; I133-F206 HydrophobicContact CG2-CD2 4.31Å; V135-F206 HydrophobicContact CB-CD1 3.79Å; V135-F206 HydrophobicContact CB-CE1 4.1Å; V135-F206 HydrophobicContact CG2-CB 4.07Å; V135-F206 HydrophobicContact CG2-CD1 3.55Å; V135-F206 HydrophobicContact CG2-CE1 4.36Å; V135-F206 HydrophobicContact CG2-CG 4.11Å; T194-F206 WeakPolarHBondContact CA-O 3.38Å; C195-F206 PolarHBondContact N-O 2.82Å; C195-F206 PolarHBondContact O-N 2.69Å; F206-V208 HydrophobicContact CD1-CG1 3.97Å; F206-V208 HydrophobicContact CE1-CG1 3.57Å |
| 207 | S | 96.6 | Very high | 89.1 | Confident | 64 Ų | 64 | 55.9 Ų | 55.9 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 138.8 | -176.3 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | Y193 T194 | Y193-S207 CarbonylContact O-C 3.57Å; Y193-S207 WeakPolarHBondContact O-CA 3.16Å; T194-S207 WeakPolarHBondContact CB-OG 3.49Å; T194-S207 VanDerWaalsContact CG2-OG 3.29Å; T194-S207 WeakPolarHBondContact CG2-OG 3.34Å; T194-S207 WeakPolarHBondContact OG1-CB 3.3Å; T194-S207 PolarHBondContact OG1-OG 2.83Å |
| 208 | V | 95.3 | Very high | 86.6 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 13% | 0.133 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 131.3 | 175 | -69.1 | 0 | 0 | 0 | 0 | 110.7 | V135 L151 D192 Y193 F206 L213 | V135-V208 HydrophobicContact CG1-CG1 4.23Å; V135-V208 HydrophobicContact CG1-CG2 4.34Å; L151-V208 HydrophobicContact CD1-CG2 3.57Å; L151-V208 HydrophobicContact CD2-CG2 4.43Å; D192-V208 WeakPolarHBondContact CA-O 3.42Å; Y193-V208 PolarHBondContact N-O 2.75Å; Y193-V208 PolarHBondContact O-N 2.85Å; F206-V208 HydrophobicContact CD1-CG1 3.97Å; F206-V208 HydrophobicContact CE1-CG1 3.57Å; V208-L213 HydrophobicContact CB-CD1 4.13Å; V208-L213 HydrophobicContact CB-CD2 4.3Å; V208-L213 HydrophobicContact CB-CG 4.35Å; V208-L213 HydrophobicContact CG2-CD1 3.81Å; V208-L213 HydrophobicContact CG2-CD2 4.49Å |
| 209 | S | 94.1 | Very high | 84.6 | Confident | 29 Ų | 29 | 67 Ų | 67 | 20% | 0.203 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 133.4 | 178.7 | 160.4 | 0 | 0 | 0 | 0 | 111.6 | D192 Q211 K212 L213 | D192-S209 WeakPolarHBondContact OD1-CA 3.48Å; D192-S209 VanDerWaalsContact OD1-CB 3.22Å; D192-S209 WeakPolarHBondContact OD1-CB 3.33Å; S209-Q211 PolarHBondContact O-N 2.8Å; S209-Q211 PolarHBondContact OG-N 2.91Å; S209-Q211 PolarHBondContact OG-OE1 3.1Å; S209-K212 PolarHBondContact O-N 2.88Å; S209-K212 VanDerWaalsContact O-N 3.11Å; S209-K212 PolarHBondContact OG-N 2.74Å; S209-L213 VanDerWaalsContact O-CG 3.27Å; S209-L213 WeakPolarHBondContact O-CG 3.34Å; S209-L213 PolarHBondContact O-N 3.08Å |
| 210 | A | 91.5 | Very high | 82.2 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -56 | -40.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I149 W183 Q191 Y193 K212 L213 C214 | I149-A210 HydrophobicContact CD1-CB 4.22Å; W183-A210 HydrophobicContact CB-CB 4.48Å; W183-A210 HydrophobicContact CD2-CB 3.8Å; W183-A210 HydrophobicContact CE3-CB 4.5Å; W183-A210 HydrophobicContact CG-CB 3.76Å; W183-A210 HydrophobicContact CZ2-CB 4.47Å; Q191-A210 HydrophobicContact CG-CB 3.94Å; Q191-A210 WeakPolarHBondContact O-CB 3.36Å; Q191-A210 PolarHBondContact O-N 2.97Å; Y193-A210 HydrophobicContact CE2-CB 3.82Å; A210-K212 VanDerWaalsContact C-N 3.33Å; A210-K212 PolarHBondContact O-N 2.95Å; A210-L213 PolarHBondContact O-N 3.36Å; A210-C214 VanDerWaalsContact O-CB 3.29Å; A210-C214 WeakPolarHBondContact O-CB 3.33Å; A210-C214 PolarHBondContact O-N 3.28Å; A210-C214 PolarHBondContact O-SG 2.92Å; A210-C214 VanDerWaalsContact O-SG 3.36Å |
| 211 | Q | 88.4 | Confident | 80.3 | Confident | 49 Ų | 49 | 79.6 Ų | 79.6 | 23% | 0.229 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.7 | -35.2 | 178.8 | -54.4 | 93.6 | -61.9 | 0 | 0 | 111.7 | W183 E190 S209 G215 | W183-Q211 HydrophobicContact CH2-CB 4.47Å; W183-Q211 HydrophobicContact CH2-CG 3.9Å; W183-Q211 HydrophobicContact CZ2-CG 3.81Å; E190-Q211 PolarHBondContact OE1-NE2 3.31Å; S209-Q211 PolarHBondContact O-N 2.8Å; S209-Q211 PolarHBondContact OG-N 2.91Å; S209-Q211 PolarHBondContact OG-OE1 3.1Å; Q211-G215 WeakPolarHBondContact O-CA 3.45Å; Q211-G215 PolarHBondContact O-N 2.98Å |
| 212 | K | 88.6 | Confident | 78.3 | Confident | 171 Ų | 171 | 83 Ų | 83 | 74% | 0.743 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -71.4 | -40.9 | 174.5 | -173.1 | 178.5 | 178.9 | -177.8 | 0 | 111.4 | S209 A210 C214 | S209-K212 PolarHBondContact O-N 2.88Å; S209-K212 VanDerWaalsContact O-N 3.11Å; S209-K212 PolarHBondContact OG-N 2.74Å; A210-K212 VanDerWaalsContact C-N 3.33Å; A210-K212 PolarHBondContact O-N 2.95Å; K212-C214 VanDerWaalsContact C-N 3.33Å |
| 213 | L | 89.4 | Confident | 76.6 | Confident | 24 Ų | 24 | 85.4 Ų | 85.4 | 13% | 0.126 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -65.6 | -37.6 | 178.9 | -65.6 | 169.1 | 0 | 0 | 0 | 112 | N137 I149 L151 Y193 V208 S209 A210 | N137-L213 HydrophobicContact CB-CD2 4.01Å; N137-L213 VanDerWaalsContact CG-CD2 3.47Å; N137-L213 WeakPolarHBondContact ND2-CD2 3.44Å; I149-L213 HydrophobicContact CD1-CD1 4.31Å; I149-L213 HydrophobicContact CG2-CD1 4Å; L151-L213 HydrophobicContact CD1-CD1 4.06Å; L151-L213 HydrophobicContact CD2-CD1 4.07Å; L151-L213 HydrophobicContact CD2-CD2 4.07Å; Y193-L213 HydrophobicContact CD2-CD1 4.24Å; V208-L213 HydrophobicContact CB-CD1 4.13Å; V208-L213 HydrophobicContact CB-CD2 4.3Å; V208-L213 HydrophobicContact CB-CG 4.35Å; V208-L213 HydrophobicContact CG2-CD1 3.81Å; V208-L213 HydrophobicContact CG2-CD2 4.49Å; S209-L213 VanDerWaalsContact O-CG 3.27Å; S209-L213 WeakPolarHBondContact O-CG 3.34Å; S209-L213 PolarHBondContact O-N 3.08Å; A210-L213 PolarHBondContact O-N 3.36Å |
| 214 | C | 85.8 | Confident | 75.1 | Confident | 10 Ų | 10 | 83.7 Ų | 83.7 | 7% | 0.068 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -106.7 | -9 | -172.6 | -57 | 0 | 0 | 0 | 0 | 114.2 | C147 W183 A210 K212 | C147-C214 HydrophobicContact CB-CB 3.65Å; C147-C214 WeakPolarHBondContact CB-SG 3.44Å; C147-C214 WeakPolarHBondContact SG-CB 3.35Å; C147-C214 CovalentContact SG-SG 2.03Å; C147-C214 PolarHBondContact SG-SG 3.01Å; W183-C214 HydrophobicContact CE3-CB 3.78Å; W183-C214 HydrophobicContact CZ3-CB 3.77Å; A210-C214 VanDerWaalsContact O-CB 3.29Å; A210-C214 WeakPolarHBondContact O-CB 3.33Å; A210-C214 PolarHBondContact O-N 3.28Å; A210-C214 PolarHBondContact O-SG 2.92Å; A210-C214 VanDerWaalsContact O-SG 3.36Å; K212-C214 VanDerWaalsContact C-N 3.33Å |
| 215 | G | 73.7 | Confident | 73.8 | Confident | 61 Ų | 61 | 88 Ų | 88 | 63% | 0.629 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -82.5 | -17.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q211 | Q211-G215 WeakPolarHBondContact O-CA 3.45Å; Q211-G215 PolarHBondContact O-N 2.98Å |
| 216 | D | 58.4 | Low | 72.6 | Confident | 149 Ų | 149 | 89.9 Ų | 89.9 | 80% | 0.797 | 46% | 0.464 | S | S | * | . | trans | -103 | 12.8 | -171 | -124 | -3.2 | 0 | 0 | 0 | 114.8 | K218 | D216-K218 PolarHBondContact O-N 3.13Š| ||
| 217 | V | 53.3 | Low | 71.7 | Confident | 75 Ų | 75 | 90.4 Ų | 90.4 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | trans | -89 | 95.5 | 169.1 | -174.6 | 0 | 0 | 0 | 0 | 107.8 | L141 I219 | L141-V217 HydrophobicContact CB-CB 4.16Å; L141-V217 HydrophobicContact CB-CG1 4.23Å; L141-V217 HydrophobicContact CB-CG2 4.12Å; L141-V217 HydrophobicContact CD2-CB 3.88Å; L141-V217 HydrophobicContact CD2-CG1 4.15Å; V217-I219 VanDerWaalsContact C-N 3.32Å; V217-I219 PolarHBondContact O-N 3.39Å | ||
| 218 | K | 45 | Very low | 71 | Confident | 193 Ų | 193 | 93.2 Ų | 93.2 | 84% | 0.839 | 48% | 0.479 | S | S | * | . | trans | -51.1 | 104.7 | 159.8 | -71.2 | -178.5 | -177.3 | 177.2 | 0 | 106.4 | D216 Q220 | D216-K218 PolarHBondContact O-N 3.13Å; K218-Q220 PolarHBondContact O-N 2.97Å | ||
| 219 | I | 52.6 | Low | 70.5 | Confident | 108 Ų | 108 | 98.7 Ų | 98.7 | 55% | 0.554 | 50% | 0.502 | S | S | * | . | trans | -48.9 | 110.8 | 167.8 | -59.6 | 174.2 | 0 | 0 | 0 | 104.2 | V217 Y221 | V217-I219 VanDerWaalsContact C-N 3.32Å; V217-I219 PolarHBondContact O-N 3.39Å; I219-Y221 PolarHBondContact O-N 2.92Å | ||
| 220 | Q | 45 | Very low | 70.1 | Confident | 187 Ų | 187 | 101.4 Ų | 101.4 | 87% | 0.874 | 52% | 0.517 | S | S | * | . | trans | -65.6 | 79.9 | 163.6 | -89.1 | -174.3 | 10.1 | 0 | 0 | 105 | K218 T222 | K218-Q220 PolarHBondContact O-N 2.97Å; Q220-T222 PolarHBondContact O-N 3.19Å | ||
| 221 | Y | 53.7 | Low | 70.1 | Confident | 151 Ų | 151 | 105 Ų | 105 | 59% | 0.592 | 54% | 0.539 | S | S | * | . | trans | -65.2 | 95.9 | 159.4 | -152.3 | -110.1 | 0 | 0 | 0 | 102.1 | I219 D223 T224 | I219-Y221 PolarHBondContact O-N 2.92Å; Y221-D223 WeakPolarHBondContact O-CA 3.29Å; Y221-D223 PolarHBondContact O-N 3.28Å; Y221-T224 HydrophobicContact CE1-CG2 4.21Å; Y221-T224 WeakPolarHBondContact CE1-OG1 3.45Å; Y221-T224 PolarHBondContact OH-OG1 3.3Å | ||
| 222 | T | 52.2 | Low | 70.2 | Confident | 115 Ų | 115 | 109 Ų | 109 | 71% | 0.706 | 56% | 0.555 | S | S | * | * | trans | -52.5 | 98 | 155.4 | 6.3 | 0 | 0 | 0 | 0 | 103.4 | Q220 T224 | Q220-T222 PolarHBondContact O-N 3.19Å; T222-T224 PolarHBondContact O-N 2.91Å | ||
| 223 | D | 60.2 | Low | 70.3 | Confident | 66 Ų | 66 | 102.3 Ų | 102.3 | 35% | 0.353 | 54% | 0.535 | S | S | . | . | trans | -56.5 | 108.2 | -159.1 | -175 | 6.7 | 0 | 0 | 0 | 106.6 | Y221 K225 M226 I227 | Y221-D223 WeakPolarHBondContact O-CA 3.29Å; Y221-D223 PolarHBondContact O-N 3.28Å; D223-K225 CarbonylContact O-C 3.52Å; D223-K225 PolarHBondContact O-N 2.97Å; D223-K225 WeakPolarHBondContact OD1-CB 3.23Å; D223-K225 WeakPolarHBondContact OD1-CG 3.03Å; D223-K225 PolarHBondContact OD1-N 3.29Å; D223-K225 VanDerWaalsContact OD1-N 3.1Å; D223-M226 HydrophobicContact CB-CB 3.91Å; D223-M226 HydrophobicContact CB-CG 3.85Å; D223-M226 WeakPolarHBondContact O-CA 3.45Å; D223-M226 WeakPolarHBondContact O-CB 3.26Å; D223-M226 PolarHBondContact O-N 3.32Å; D223-I227 PolarHBondContact O-N 2.92Å | ||
| 224 | T | 62.7 | Low | 70.5 | Confident | 74 Ų | 74 | 106 Ų | 106 | 45% | 0.454 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58 | -21.4 | 178.1 | 45.3 | 0 | 0 | 0 | 0 | 109.1 | Y221 T222 L228 | Y221-T224 HydrophobicContact CE1-CG2 4.21Å; Y221-T224 WeakPolarHBondContact CE1-OG1 3.45Å; Y221-T224 PolarHBondContact OH-OG1 3.3Å; T222-T224 PolarHBondContact O-N 2.91Å; T224-L228 VanDerWaalsContact O-CB 3.28Å; T224-L228 WeakPolarHBondContact O-CB 3.48Å; T224-L228 PolarHBondContact O-N 2.86Å |
| 225 | K | 69.6 | Low | 70.7 | Confident | 133 Ų | 133 | 109 Ų | 109 | 58% | 0.578 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.7 | -40.9 | 166.1 | -53.4 | -167.8 | 173.3 | -173.5 | 0 | 113.4 | D223 I227 L228 F229 | D223-K225 CarbonylContact O-C 3.52Å; D223-K225 PolarHBondContact O-N 2.97Å; D223-K225 WeakPolarHBondContact OD1-CB 3.23Å; D223-K225 WeakPolarHBondContact OD1-CG 3.03Å; D223-K225 PolarHBondContact OD1-N 3.29Å; D223-K225 VanDerWaalsContact OD1-N 3.1Å; K225-I227 VanDerWaalsContact C-N 3.35Å; K225-I227 PolarHBondContact O-N 3.5Å; K225-L228 CarbonylContact O-C 3.56Å; K225-L228 WeakPolarHBondContact O-CB 3.28Å; K225-L228 PolarHBondContact O-N 3.45Å; K225-F229 HydrophobicContact CB-CD2 4.22Å; K225-F229 HydrophobicContact CB-CE2 4.15Å; K225-F229 WeakPolarHBondContact O-CB 3.48Å; K225-F229 WeakPolarHBondContact O-CD2 3.17Å; K225-F229 WeakPolarHBondContact O-CG 3.25Å; K225-F229 PolarHBondContact O-N 2.83Å |
| 226 | M | 71.4 | Confident | 71.7 | Confident | 117 Ų | 117 | 109.4 Ų | 109.4 | 58% | 0.576 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.5 | -42.7 | 172.3 | -82.4 | -74 | -78.3 | 0 | 0 | 111.9 | D223 L228 F229 V230 | D223-M226 HydrophobicContact CB-CB 3.91Å; D223-M226 HydrophobicContact CB-CG 3.85Å; D223-M226 WeakPolarHBondContact O-CA 3.45Å; D223-M226 WeakPolarHBondContact O-CB 3.26Å; D223-M226 PolarHBondContact O-N 3.32Å; M226-L228 VanDerWaalsContact C-N 3.35Å; M226-F229 PolarHBondContact O-N 3.48Å; M226-V230 WeakPolarHBondContact O-CB 3.38Å; M226-V230 VanDerWaalsContact O-CG2 3.25Å; M226-V230 WeakPolarHBondContact O-CG2 3.18Å; M226-V230 PolarHBondContact O-N 3.05Å |
| 227 | I | 78.7 | Confident | 73.3 | Confident | 100 Ų | 100 | 106.3 Ų | 106.3 | 51% | 0.513 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 174 | -62.4 | 174.9 | 0 | 0 | 0 | 110.1 | D223 K225 F229 V230 V231 | D223-I227 PolarHBondContact O-N 2.92Å; K225-I227 VanDerWaalsContact C-N 3.35Å; K225-I227 PolarHBondContact O-N 3.5Å; I227-F229 PolarHBondContact O-N 3.21Å; I227-V230 PolarHBondContact O-N 2.72Å; I227-V231 HydrophobicContact CG2-CG2 4.36Å; I227-V231 WeakPolarHBondContact O-CB 3.45Å; I227-V231 VanDerWaalsContact O-CG2 3.27Å; I227-V231 WeakPolarHBondContact O-CG2 3.38Å; I227-V231 PolarHBondContact O-N 2.81Å |
| 228 | L | 82 | Confident | 75.2 | Confident | 123 Ų | 123 | 105.9 Ų | 105.9 | 64% | 0.644 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.7 | -40.9 | 176.7 | -165.4 | 78.1 | 0 | 0 | 0 | 112.2 | T224 K225 M226 V231 F232 | T224-L228 VanDerWaalsContact O-CB 3.28Å; T224-L228 WeakPolarHBondContact O-CB 3.48Å; T224-L228 PolarHBondContact O-N 2.86Å; K225-L228 CarbonylContact O-C 3.56Å; K225-L228 WeakPolarHBondContact O-CB 3.28Å; K225-L228 PolarHBondContact O-N 3.45Å; M226-L228 VanDerWaalsContact C-N 3.35Å; L228-V231 PolarHBondContact O-N 3.35Å; L228-F232 WeakPolarHBondContact O-CB 3.36Å; L228-F232 PolarHBondContact O-N 2.74Å |
| 229 | F | 83.6 | Confident | 77.4 | Confident | 138 Ų | 138 | 98.2 Ų | 98.2 | 61% | 0.605 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.1 | -41.3 | 176.9 | -83 | -63.4 | 0 | 0 | 0 | 111.7 | K225 M226 I227 F232 G233 | K225-F229 HydrophobicContact CB-CD2 4.22Å; K225-F229 HydrophobicContact CB-CE2 4.15Å; K225-F229 WeakPolarHBondContact O-CB 3.48Å; K225-F229 WeakPolarHBondContact O-CD2 3.17Å; K225-F229 WeakPolarHBondContact O-CG 3.25Å; K225-F229 PolarHBondContact O-N 2.83Å; M226-F229 PolarHBondContact O-N 3.48Å; I227-F229 PolarHBondContact O-N 3.21Å; F229-F232 PolarHBondContact O-N 2.92Å; F229-G233 PolarHBondContact O-N 3.49Å |
| 230 | V | 87 | Confident | 79.3 | Confident | 85 Ų | 85 | 99.6 Ų | 99.6 | 52% | 0.515 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 175.9 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | M226 I227 G233 I234 | M226-V230 WeakPolarHBondContact O-CB 3.38Å; M226-V230 VanDerWaalsContact O-CG2 3.25Å; M226-V230 WeakPolarHBondContact O-CG2 3.18Å; M226-V230 PolarHBondContact O-N 3.05Å; I227-V230 PolarHBondContact O-N 2.72Å; V230-G233 PolarHBondContact O-N 3.21Å; V230-I234 HydrophobicContact CG1-CD1 3.96Å; V230-I234 VanDerWaalsContact O-CG1 3.3Å; V230-I234 WeakPolarHBondContact O-CG1 3.22Å; V230-I234 PolarHBondContact O-N 3.44Å |
| 231 | V | 90 | Very high | 81.5 | Confident | 76 Ų | 76 | 95 Ų | 95 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 176.6 | 172.5 | 0 | 0 | 0 | 0 | 111 | I227 L228 G233 I234 C235 | I227-V231 HydrophobicContact CG2-CG2 4.36Å; I227-V231 WeakPolarHBondContact O-CB 3.45Å; I227-V231 VanDerWaalsContact O-CG2 3.27Å; I227-V231 WeakPolarHBondContact O-CG2 3.38Å; I227-V231 PolarHBondContact O-N 2.81Å; L228-V231 PolarHBondContact O-N 3.35Å; V231-G233 VanDerWaalsContact C-N 3.33Å; V231-G233 PolarHBondContact O-N 2.97Å; V231-I234 PolarHBondContact O-N 3.31Å; V231-C235 PolarHBondContact O-N 2.74Å; V231-C235 PolarHBondContact O-SG 3.48Å |
| 232 | F | 90.8 | Very high | 83.3 | Confident | 132 Ų | 132 | 92.5 Ų | 92.5 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.8 | -41 | 176.9 | -173.8 | -109 | 0 | 0 | 0 | 112 | L228 F229 C235 I236 | L228-F232 WeakPolarHBondContact O-CB 3.36Å; L228-F232 PolarHBondContact O-N 2.74Å; F229-F232 PolarHBondContact O-N 2.92Å; F232-C235 PolarHBondContact O-N 3.38Å; F232-I236 HydrophobicContact CD1-CD1 3.65Å; F232-I236 HydrophobicContact CE1-CD1 3.28Å; F232-I236 HydrophobicContact CE1-CG1 4.28Å; F232-I236 HydrophobicContact CE2-CD1 4.46Å; F232-I236 HydrophobicContact CG-CD1 4.4Å; F232-I236 HydrophobicContact CZ-CD1 3.73Å; F232-I236 HydrophobicContact CZ-CG1 4.37Å; F232-I236 WeakPolarHBondContact O-CG1 3.31Å; F232-I236 PolarHBondContact O-N 3.06Å |
| 233 | G | 91.3 | Very high | 85 | Confident | 31 Ų | 31 | 92.5 Ų | 92.5 | 32% | 0.32 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F229 V230 V231 I236 V237 | F229-G233 PolarHBondContact O-N 3.49Å; V230-G233 PolarHBondContact O-N 3.21Å; V231-G233 VanDerWaalsContact C-N 3.33Å; V231-G233 PolarHBondContact O-N 2.97Å; G233-I236 PolarHBondContact O-N 3.33Å; G233-V237 WeakPolarHBondContact O-CG2 3.34Å; G233-V237 PolarHBondContact O-N 3.28Å |
| 234 | I | 92.8 | Very high | 86.4 | Confident | 101 Ų | 101 | 94.5 Ų | 94.5 | 52% | 0.518 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 176.3 | -65.9 | 164.7 | 0 | 0 | 0 | 111 | V230 V231 I236 V237 T238 | V230-I234 HydrophobicContact CG1-CD1 3.96Å; V230-I234 VanDerWaalsContact O-CG1 3.3Å; V230-I234 WeakPolarHBondContact O-CG1 3.22Å; V230-I234 PolarHBondContact O-N 3.44Å; V231-I234 PolarHBondContact O-N 3.31Å; I234-I236 VanDerWaalsContact C-N 3.34Å; I234-I236 PolarHBondContact O-N 3.31Å; I234-V237 PolarHBondContact O-N 2.92Å; I234-T238 HydrophobicContact CG2-CG2 4.3Å; I234-T238 WeakPolarHBondContact O-CB 3.3Å; I234-T238 VanDerWaalsContact O-CG2 3.32Å; I234-T238 WeakPolarHBondContact O-CG2 3.27Å; I234-T238 PolarHBondContact O-N 2.91Å; I234-T238 PolarHBondContact O-OG1 3.38Å |
| 235 | C | 91.6 | Very high | 87.6 | Confident | 73 Ų | 73 | 95.8 Ų | 95.8 | 49% | 0.493 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 176.5 | -69.8 | 0 | 0 | 0 | 0 | 112.5 | V231 F232 T238 G239 | V231-C235 PolarHBondContact O-N 2.74Å; V231-C235 PolarHBondContact O-SG 3.48Å; F232-C235 PolarHBondContact O-N 3.38Å; C235-T238 WeakPolarHBondContact CA-OG1 3.47Å; C235-T238 PolarHBondContact O-OG1 2.72Å; C235-G239 PolarHBondContact O-N 2.94Å |
| 236 | I | 93.1 | Very high | 88.5 | Confident | 70 Ų | 70 | 93.7 Ų | 93.7 | 36% | 0.359 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -50.3 | 176.4 | -72.5 | 172.4 | 0 | 0 | 0 | 110.6 | F232 G233 I234 T238 G239 F240 | F232-I236 HydrophobicContact CD1-CD1 3.65Å; F232-I236 HydrophobicContact CE1-CD1 3.28Å; F232-I236 HydrophobicContact CE1-CG1 4.28Å; F232-I236 HydrophobicContact CE2-CD1 4.46Å; F232-I236 HydrophobicContact CG-CD1 4.4Å; F232-I236 HydrophobicContact CZ-CD1 3.73Å; F232-I236 HydrophobicContact CZ-CG1 4.37Å; F232-I236 WeakPolarHBondContact O-CG1 3.31Å; F232-I236 PolarHBondContact O-N 3.06Å; G233-I236 PolarHBondContact O-N 3.33Å; I234-I236 VanDerWaalsContact C-N 3.34Å; I234-I236 PolarHBondContact O-N 3.31Å; I236-T238 PolarHBondContact O-N 3.48Å; I236-G239 PolarHBondContact O-N 3.35Å; I236-F240 HydrophobicContact CG2-CD2 3.54Å; I236-F240 HydrophobicContact CG2-CE2 3.45Å; I236-F240 VanDerWaalsContact CG2-CE2 3.45Å; I236-F240 VanDerWaalsContact O-CD2 3.22Å; I236-F240 WeakPolarHBondContact O-CD2 3.34Å; I236-F240 PolarHBondContact O-N 3.44Å |
| 237 | V | 93.4 | Very high | 89.1 | Confident | 85 Ų | 85 | 92.2 Ų | 92.2 | 52% | 0.515 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | -177.8 | 173 | 0 | 0 | 0 | 0 | 111.1 | G233 I234 G239 F240 I241 | G233-V237 WeakPolarHBondContact O-CG2 3.34Å; G233-V237 PolarHBondContact O-N 3.28Å; I234-V237 PolarHBondContact O-N 2.92Å; V237-G239 PolarHBondContact O-N 3.21Å; V237-F240 PolarHBondContact O-N 3.45Å; V237-I241 HydrophobicContact CG1-CD1 3.94Å; V237-I241 VanDerWaalsContact O-CG1 3.31Å; V237-I241 WeakPolarHBondContact O-CG1 3.44Å; V237-I241 PolarHBondContact O-N 3.3Å |
| 238 | T | 91.6 | Very high | 89.2 | Confident | 66 Ų | 66 | 92.4 Ų | 92.4 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 176 | 50.5 | 0 | 0 | 0 | 0 | 112 | I234 C235 I236 F240 I241 I242 | I234-T238 HydrophobicContact CG2-CG2 4.3Å; I234-T238 WeakPolarHBondContact O-CB 3.3Å; I234-T238 VanDerWaalsContact O-CG2 3.32Å; I234-T238 WeakPolarHBondContact O-CG2 3.27Å; I234-T238 PolarHBondContact O-N 2.91Å; I234-T238 PolarHBondContact O-OG1 3.38Å; C235-T238 WeakPolarHBondContact CA-OG1 3.47Å; C235-T238 PolarHBondContact O-OG1 2.72Å; I236-T238 PolarHBondContact O-N 3.48Å; T238-F240 PolarHBondContact O-N 2.96Å; T238-I241 PolarHBondContact O-N 2.92Å; T238-I242 VanDerWaalsContact O-CG1 3.29Å; T238-I242 WeakPolarHBondContact O-CG1 3.5Å; T238-I242 PolarHBondContact O-N 2.79Å |
| 239 | G | 92.7 | Very high | 89 | Confident | 31 Ų | 31 | 95.2 Ų | 95.2 | 32% | 0.32 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.4 | -44.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | C235 I236 V237 I242 M243 | C235-G239 PolarHBondContact O-N 2.94Å; I236-G239 PolarHBondContact O-N 3.35Å; V237-G239 PolarHBondContact O-N 3.21Å; G239-I242 PolarHBondContact O-N 2.96Å; G239-M243 WeakPolarHBondContact O-CB 3.21Å; G239-M243 WeakPolarHBondContact O-CG 3.37Å; G239-M243 PolarHBondContact O-N 3.5Å |
| 240 | F | 91.1 | Very high | 88.8 | Confident | 137 Ų | 137 | 96.4 Ų | 96.4 | 60% | 0.601 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.1 | -41.7 | 175.8 | -85.3 | -70.6 | 0 | 0 | 0 | 112.7 | I236 V237 T238 M243 L244 | I236-F240 HydrophobicContact CG2-CD2 3.54Å; I236-F240 HydrophobicContact CG2-CE2 3.45Å; I236-F240 VanDerWaalsContact CG2-CE2 3.45Å; I236-F240 VanDerWaalsContact O-CD2 3.22Å; I236-F240 WeakPolarHBondContact O-CD2 3.34Å; I236-F240 PolarHBondContact O-N 3.44Å; V237-F240 PolarHBondContact O-N 3.45Å; T238-F240 PolarHBondContact O-N 2.96Å; F240-M243 PolarHBondContact O-N 2.95Å; F240-L244 WeakPolarHBondContact O-CB 3.4Å; F240-L244 PolarHBondContact O-N 3.2Å |
| 241 | I | 91.8 | Very high | 87.7 | Confident | 90 Ų | 90 | 101 Ų | 101 | 46% | 0.462 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 176.4 | -67.7 | 166.4 | 0 | 0 | 0 | 110.5 | V237 T238 L244 L245 | V237-I241 HydrophobicContact CG1-CD1 3.94Å; V237-I241 VanDerWaalsContact O-CG1 3.31Å; V237-I241 WeakPolarHBondContact O-CG1 3.44Å; V237-I241 PolarHBondContact O-N 3.3Å; T238-I241 PolarHBondContact O-N 2.92Å; I241-L244 PolarHBondContact O-N 2.94Å; I241-L245 HydrophobicContact CG2-CD1 4.13Å; I241-L245 HydrophobicContact CG2-CG 4.5Å; I241-L245 VanDerWaalsContact O-CG 3.3Å; I241-L245 WeakPolarHBondContact O-CG 3.32Å; I241-L245 PolarHBondContact O-N 3.34Å |
| 242 | I | 91.4 | Very high | 86.2 | Confident | 99 Ų | 99 | 107.6 Ų | 107.6 | 51% | 0.508 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 177.9 | -67.1 | 164.6 | 0 | 0 | 0 | 110.5 | T238 G239 L244 L245 L246 | T238-I242 VanDerWaalsContact O-CG1 3.29Å; T238-I242 WeakPolarHBondContact O-CG1 3.5Å; T238-I242 PolarHBondContact O-N 2.79Å; G239-I242 PolarHBondContact O-N 2.96Å; I242-L244 PolarHBondContact O-N 3.31Å; I242-L245 PolarHBondContact O-N 2.92Å; I242-L246 HydrophobicContact CG2-CD1 4.12Å; I242-L246 HydrophobicContact CG2-CG 4.4Å; I242-L246 WeakPolarHBondContact O-CG 3.29Å; I242-L246 PolarHBondContact O-N 2.95Å |
| 243 | M | 88.9 | Confident | 84.6 | Confident | 115 Ų | 115 | 108.2 Ų | 108.2 | 57% | 0.567 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61 | -42.7 | 177 | -75.2 | -60.4 | -65.1 | 0 | 0 | 112.4 | G239 F240 L246 V247 | G239-M243 WeakPolarHBondContact O-CB 3.21Å; G239-M243 WeakPolarHBondContact O-CG 3.37Å; G239-M243 PolarHBondContact O-N 3.5Å; F240-M243 PolarHBondContact O-N 2.95Å; M243-L246 PolarHBondContact O-N 3.47Å; M243-L246 HydrophobicContact SD-CD1 4.32Å; M243-V247 WeakPolarHBondContact O-CG2 3.41Å; M243-V247 PolarHBondContact O-N 2.88Å |
| 244 | L | 89.2 | Confident | 82.9 | Confident | 109 Ų | 109 | 110.6 Ų | 110.6 | 57% | 0.571 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.2 | -44.7 | 173.5 | -85.5 | 158.8 | 0 | 0 | 0 | 111.7 | F240 I241 I242 L246 V247 L248 | F240-L244 WeakPolarHBondContact O-CB 3.4Å; F240-L244 PolarHBondContact O-N 3.2Å; I241-L244 PolarHBondContact O-N 2.94Å; I242-L244 PolarHBondContact O-N 3.31Å; L244-L246 VanDerWaalsContact C-N 3.33Å; L244-L246 PolarHBondContact O-N 3.44Å; L244-V247 PolarHBondContact O-N 3.45Å; L244-L248 WeakPolarHBondContact O-CB 3.44Å; L244-L248 WeakPolarHBondContact O-CG 3.3Å; L244-L248 PolarHBondContact O-N 3.37Å |
| 245 | L | 88.3 | Confident | 80.6 | Confident | 100 Ų | 100 | 112.8 Ų | 112.8 | 52% | 0.524 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.7 | -38.3 | 176.5 | -70.4 | 173.1 | 0 | 0 | 0 | 112.4 | I241 I242 L248 R249 | I241-L245 HydrophobicContact CG2-CD1 4.13Å; I241-L245 HydrophobicContact CG2-CG 4.5Å; I241-L245 VanDerWaalsContact O-CG 3.3Å; I241-L245 WeakPolarHBondContact O-CG 3.32Å; I241-L245 PolarHBondContact O-N 3.34Å; I242-L245 PolarHBondContact O-N 2.92Å; L245-L248 PolarHBondContact O-N 2.96Å; L245-R249 WeakPolarHBondContact O-CB 3.42Å; L245-R249 WeakPolarHBondContact O-CG 3.32Å; L245-R249 PolarHBondContact O-N 3.29Å |
| 246 | L | 87.2 | Confident | 78.3 | Confident | 90 Ų | 90 | 114.8 Ų | 114.8 | 47% | 0.471 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.4 | -41 | 176 | -69.3 | 174.9 | 0 | 0 | 0 | 112 | I242 M243 L244 R249 K250 | I242-L246 HydrophobicContact CG2-CD1 4.12Å; I242-L246 HydrophobicContact CG2-CG 4.4Å; I242-L246 WeakPolarHBondContact O-CG 3.29Å; I242-L246 PolarHBondContact O-N 2.95Å; M243-L246 PolarHBondContact O-N 3.47Å; M243-L246 HydrophobicContact SD-CD1 4.32Å; L244-L246 VanDerWaalsContact C-N 3.33Å; L244-L246 PolarHBondContact O-N 3.44Å; L246-R249 PolarHBondContact O-N 3.28Å; L246-K250 WeakPolarHBondContact O-CB 3.47Å; L246-K250 PolarHBondContact O-N 2.99Å |
| 247 | V | 85.1 | Confident | 75.9 | Confident | 85 Ų | 85 | 119.1 Ų | 119.1 | 52% | 0.515 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.6 | -42.2 | 175 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | M243 L244 K250 R251 | M243-V247 WeakPolarHBondContact O-CG2 3.41Å; M243-V247 PolarHBondContact O-N 2.88Å; L244-V247 PolarHBondContact O-N 3.45Å; V247-K250 PolarHBondContact O-N 2.9Å; V247-R251 WeakPolarHBondContact O-CB 3.33Å; V247-R251 PolarHBondContact O-N 3.19Å |
| 248 | L | 81.2 | Confident | 73.1 | Confident | 104 Ų | 104 | 120.2 Ų | 120.2 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.1 | -37.4 | 176.2 | -70.4 | 170.6 | 0 | 0 | 0 | 112.1 | L244 L245 R251 R252 | L244-L248 WeakPolarHBondContact O-CB 3.44Å; L244-L248 WeakPolarHBondContact O-CG 3.3Å; L244-L248 PolarHBondContact O-N 3.37Å; L245-L248 PolarHBondContact O-N 2.96Å; L248-R251 PolarHBondContact O-N 3.26Å; L248-R252 PolarHBondContact O-N 2.89Å; L248-R252 VanDerWaalsContact O-N 3.13Å |
| 249 | R | 78 | Confident | 70.5 | Confident | 182 Ų | 182 | 123.1 Ų | 123.1 | 69% | 0.687 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63 | -49.5 | 171.3 | -82.5 | -176.4 | 167.5 | 177.3 | -2.8 | 111.5 | L245 L246 R251 R252 D253 | L245-R249 WeakPolarHBondContact O-CB 3.42Å; L245-R249 WeakPolarHBondContact O-CG 3.32Å; L245-R249 PolarHBondContact O-N 3.29Å; L246-R249 PolarHBondContact O-N 3.28Å; R249-R251 PolarHBondContact O-N 3.46Å; R249-R252 WeakPolarHBondContact O-CA 3.34Å; R249-R252 WeakPolarHBondContact O-CB 3.45Å; R249-R252 PolarHBondContact O-N 3.34Å; R249-D253 PolarHBondContact O-N 2.93Å; R249-D253 VanDerWaalsContact O-N 3.11Å |
| 250 | K | 78.2 | Confident | 67.7 | Low | 163 Ų | 163 | 129.9 Ų | 129.9 | 71% | 0.709 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -60.3 | -33.2 | 177.3 | -172.9 | 173.6 | -179 | 177.1 | 0 | 113 | L246 V247 R252 S254 | L246-K250 WeakPolarHBondContact O-CB 3.47Å; L246-K250 PolarHBondContact O-N 2.99Å; V247-K250 PolarHBondContact O-N 2.9Å; K250-R252 VanDerWaalsContact C-N 3.34Å; K250-S254 PolarHBondContact O-OG 2.91Å |
| 251 | R | 65.1 | Low | 64.8 | Low | 183 Ų | 183 | 133.7 Ų | 133.7 | 69% | 0.691 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -74.1 | -24.7 | 175.3 | -146.1 | -175.3 | -162.9 | -165.1 | 5.5 | 112.9 | V247 L248 R249 S254 | V247-R251 WeakPolarHBondContact O-CB 3.33Å; V247-R251 PolarHBondContact O-N 3.19Å; L248-R251 PolarHBondContact O-N 3.26Å; R249-R251 PolarHBondContact O-N 3.46Å; R251-S254 WeakPolarHBondContact CA-OG 3.43Å; R251-S254 PolarHBondContact O-OG 3.04Å |
| 252 | R | 57.5 | Low | 62 | Low | 213 Ų | 213 | 135.5 Ų | 135.5 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -77.5 | -32.6 | 175.1 | -146.6 | 173.1 | -150.2 | 151.7 | 4.9 | 111.9 | L248 R249 K250 S254 | L248-R252 PolarHBondContact O-N 2.89Å; L248-R252 VanDerWaalsContact O-N 3.13Å; R249-R252 WeakPolarHBondContact O-CA 3.34Å; R249-R252 WeakPolarHBondContact O-CB 3.45Å; R249-R252 PolarHBondContact O-N 3.34Å; K250-R252 VanDerWaalsContact C-N 3.34Å; R252-S254 PolarHBondContact O-N 3.39Å |
| 253 | D | 58 | Low | 59.1 | Low | 145 Ų | 145 | 139 Ų | 139 | 78% | 0.775 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -5.1 | 174.8 | -59.8 | -28.2 | 0 | 0 | 0 | 113.3 | R249 | R249-D253 PolarHBondContact O-N 2.93Å; R249-D253 VanDerWaalsContact O-N 3.11Å |
| 254 | S | 54.4 | Low | 56.3 | Low | 81 Ų | 81 | 137 Ų | 137 | 57% | 0.566 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | 11.1 | -178.5 | 43 | 0 | 0 | 0 | 0 | 114.8 | K250 R251 R252 | K250-S254 PolarHBondContact O-OG 2.91Å; R251-S254 WeakPolarHBondContact CA-OG 3.43Å; R251-S254 PolarHBondContact O-OG 3.04Å; R252-S254 PolarHBondContact O-N 3.39Å |
| 255 | L | 44.3 | Very low | 53.9 | Low | 147 Ų | 147 | 138.5 Ų | 138.5 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | trans | -104 | 115.5 | 172.2 | -126.4 | 95.8 | 0 | 0 | 0 | 111.2 | ||||
| 256 | P | 44.3 | Very low | 51.2 | Low | 116 Ų | 116 | 138.2 Ų | 138.2 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | trans | -89.8 | 131.2 | 168 | 31.9 | -26.6 | 0 | 0 | 0 | 112.3 | ||||
| 257 | L | 42.3 | Very low | 48.4 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | 78.8 | 122.2 | 141 | -144.8 | 68.9 | 0 | 0 | 0 | 121.1 | ||||
| 258 | S | 34.6 | Very low | 45.8 | Very low | 109 Ų | 109 | 144.3 Ų | 144.3 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | -168.3 | 109.7 | 106.4 | -164.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 259 | T | 37.2 | Very low | 43.5 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -84.6 | 111.6 | 166.6 | -52.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 260 | Q | 33 | Very low | 41.1 | Very low | 173 Ų | 173 | 139 Ų | 139 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | trans | -105 | 103.6 | 164.9 | -164.1 | 168 | -4.7 | 0 | 0 | 109.2 | ||||
| 261 | R | 31.5 | Very low | 38.8 | Very low | 217 Ų | 217 | 138.9 Ų | 138.9 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | trans | -84.9 | 118.2 | 170.7 | -174.2 | -178.7 | -172.1 | 117.7 | -1 | 107.7 | ||||
| 262 | T | 32.3 | Very low | 37.5 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -121.5 | 139.2 | 162.3 | -43 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 263 | Q | 31.1 | Very low | 36.2 | Very low | 173 Ų | 173 | 134.7 Ų | 134.7 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | -113.6 | 127.2 | -156.5 | -174.9 | 171.6 | -15.1 | 0 | 0 | 111.6 | ||||
| 264 | G | 29.1 | Very low | 34.7 | Very low | 74 Ų | 74 | 136.6 Ų | 136.6 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | 86.1 | 160.5 | 148.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 265 | P | 40.3 | Very low | 33.4 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 90% | 0.903 | 79% | 0.789 | S | S | * | * | cis | -128.1 | 176.6 | 7.8 | 37.8 | -18.9 | 0 | 0 | 0 | 116 | ||||
| 266 | A | 31.5 | Very low | 32.7 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -90.2 | 157.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 267 | E | 27.5 | Very low | 31.9 | Very low | 197 Ų | 197 | 137.2 Ų | 137.2 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | 179.8 | 148.2 | 151 | -101.4 | 175.7 | -168.7 | 0 | 0 | 106.1 | ||||
| 268 | S | 30.3 | Very low | 31.2 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | cis | -170 | 148.8 | -12.8 | -179.9 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 269 | A | 32.3 | Very low | 31.5 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | 12.9 | 141.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 270 | G | 29.5 | Very low | 31.2 | Very low | 73 Ų | 73 | 134.8 Ų | 134.8 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | 169.8 | 102 | 153.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 271 | N | 28.2 | Very low | 31 | Very low | 162 Ų | 162 | 133.5 Ų | 133.5 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | trans | -68.5 | 162.8 | -174.7 | -61.4 | -37.5 | 0 | 0 | 0 | 116 | ||||
| 272 | I | 38 | Very low | 31 | Very low | 158 Ų | 158 | 129.8 Ų | 129.8 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -33.6 | 137.5 | 155.2 | -61.9 | 157.2 | 0 | 0 | 0 | 113.2 | ||||
| 273 | E | 29.8 | Very low | 31.1 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | 170.4 | 130 | 111.2 | -153.9 | 167.7 | -176.5 | 0 | 0 | 115 | |||||
| 274 | Y | 27.2 | Very low | 31.2 | Very low | 184 Ų | 184 | 126.2 Ų | 126.2 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | 75 | 122.3 | 141.5 | -84.5 | -141.1 | 0 | 0 | 0 | 126.4 | ||||
| 275 | I | 27.6 | Very low | 31.3 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | 90.7 | 118.4 | 124.3 | -74 | -174.9 | 0 | 0 | 0 | 122 | |||||
| 276 | S | 28.5 | Very low | 30.8 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | 54.8 | 139.2 | 143 | 79 | 0 | 0 | 0 | 0 | 120 | ||||
| 277 | V | 27.4 | Very low | 30.9 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | -168.5 | 148.3 | 66.9 | 164.2 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 278 | S | 29.2 | Very low | 31.2 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -11.5 | 153.3 | 164.6 | -145.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 279 | P | 39.1 | Very low | 31.2 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | trans | -109.1 | 132.3 | 170.2 | 36.4 | -23.8 | 0 | 0 | 0 | 113.3 | ||||
| 280 | V | 31.6 | Very low | 31.2 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 76% | 0.758 | 77% | 0.765 | S | S | * | * | trans | -159.7 | 120.2 | 149.8 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 281 | N | 28.9 | Very low | 31.2 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | 168.6 | 107.7 | 121.2 | 52.4 | 12.6 | 0 | 0 | 0 | 114.7 | |||||
| 282 | N | 32.3 | Very low | 31.4 | Very low | 139 Ų | 139 | 135.1 Ų | 135.1 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | 35.3 | 133.7 | 131.7 | -57.7 | -6.3 | 0 | 0 | 0 | 122 | ||||
| 283 | T | 33.8 | Very low | 31.1 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | -176.7 | 114 | 100.9 | 31.8 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 284 | V | 34.2 | Very low | 31.2 | Very low | 96 Ų | 96 | 139.1 Ų | 139.1 | 58% | 0.582 | 77% | 0.767 | S | S | * | * | 51.1 | 136.7 | 94.6 | -122.6 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 285 | Y | 30.5 | Very low | 31.3 | Very low | 214 Ų | 214 | 136.8 Ų | 136.8 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | cis | -154.2 | 160.4 | 22.7 | -67.9 | -95.2 | 0 | 0 | 0 | 112.8 | ||||
| 286 | A | 29.2 | Very low | 31.4 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | -162.4 | 134.6 | 123 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 287 | S | 34.8 | Very low | 31.9 | Very low | 103 Ų | 103 | 142.4 Ų | 142.4 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | -101.2 | 147.5 | -168 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 288 | V | 33.1 | Very low | 31.8 | Very low | 143 Ų | 143 | 142 Ų | 142 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -143.2 | 129.8 | 143 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 289 | T | 30.5 | Very low | 31.8 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | -87.5 | 136.4 | -172.6 | -33.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 290 | H | 31.4 | Very low | 32.1 | Very low | 192 Ų | 192 | 143.3 Ų | 143.3 | 89% | 0.889 | 80% | 0.795 | S | S | * | * | trans | -140.1 | 137.4 | 146 | -97.5 | -79.6 | 0 | 0 | 0 | 110.6 | ||||
| 291 | S | 29.7 | Very low | 32 | Very low | 120 Ų | 120 | 145 Ų | 145 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -69.1 | 140.6 | -168.8 | -174.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 292 | N | 32.6 | Very low | 32 | Very low | 134 Ų | 134 | 147.2 Ų | 147.2 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | trans | -83.6 | 148.8 | -176.5 | -165.7 | -2.9 | 0 | 0 | 0 | 111.8 | E294 | N292-E294 PolarHBondContact OD1-N 3.33Š| ||
| 293 | R | 31.1 | Very low | 32.4 | Very low | 230 Ų | 230 | 148.6 Ų | 148.6 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | trans | -161.6 | 100.2 | 133 | -155.4 | 165.1 | -177.3 | 170.3 | -1.8 | 113.1 | ||||
| 294 | E | 32.9 | Very low | 32.2 | Very low | 162 Ų | 162 | 146.7 Ų | 146.7 | 76% | 0.757 | 81% | 0.805 | S | S | * | * | trans | 27.6 | 121.8 | 142.2 | -78 | 171.2 | 156.5 | 0 | 0 | 122 | N292 | N292-E294 PolarHBondContact OD1-N 3.33Š| ||
| 295 | T | 29.4 | Very low | 32.8 | Very low | 134 Ų | 134 | 149 Ų | 149 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -85.4 | 131.7 | 158.6 | -41 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 296 | E | 29.9 | Very low | 32.9 | Very low | 194 Ų | 194 | 145.2 Ų | 145.2 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | trans | -107 | 140.9 | 156.6 | -100.7 | -172.1 | 167.9 | 0 | 0 | 110.2 | ||||
| 297 | I | 37.4 | Very low | 33.2 | Very low | 152 Ų | 152 | 146.2 Ų | 146.2 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | -83.4 | 143.4 | -172 | -65.3 | 164.6 | 0 | 0 | 0 | 110.5 | ||||
| 298 | S | 27.2 | Very low | 33.4 | Very low | 122 Ų | 122 | 148.9 Ų | 148.9 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -153.3 | 136 | 149.9 | -75.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 299 | T | 28.3 | Very low | 33.5 | Very low | 130 Ų | 130 | 152.5 Ų | 152.5 | 80% | 0.798 | 82% | 0.818 | S | S | * | * | trans | -70.8 | 170.6 | -171.9 | 40.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 300 | P | 44.4 | Very low | 33.8 | Very low | 117 Ų | 117 | 152.2 Ų | 152.2 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | trans | -97.9 | 134.5 | -157.5 | 35.8 | -28.9 | 0 | 0 | 0 | 113.8 | ||||
| 301 | I | 29.7 | Very low | 34 | Very low | 160 Ų | 160 | 149.5 Ų | 149.5 | 82% | 0.821 | 82% | 0.818 | S | S | * | * | trans | -144.5 | 119.6 | 164 | -64.3 | -174.5 | 0 | 0 | 0 | 112 | ||||
| 302 | K | 29.3 | Very low | 34.6 | Very low | 192 Ų | 192 | 149.7 Ų | 149.7 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | 47 | 119 | 147.3 | -67.7 | 176.4 | 175.3 | 177.2 | 0 | 121.6 | ||||
| 303 | N | 41.2 | Very low | 34.8 | Very low | 168 Ų | 168 | 149.6 Ų | 149.6 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | trans | -5.6 | 120.2 | 140.3 | -61 | -6.1 | 0 | 0 | 0 | 116.9 | ||||
| 304 | A | 30.1 | Very low | 34.9 | Very low | 89 Ų | 89 | 148.2 Ų | 148.2 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | trans | -150.5 | 121.4 | 142.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 305 | T | 46.3 | Very low | 34.9 | Very low | 146 Ų | 146 | 145.4 Ų | 145.4 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | trans | -55.5 | 127.4 | 165.8 | 41.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 306 | V | 33.3 | Very low | 35.2 | Very low | 133 Ų | 133 | 149 Ų | 149 | 81% | 0.806 | 82% | 0.819 | S | S | * | * | trans | -131.9 | 114.3 | 167.5 | -179 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 307 | T | 34.8 | Very low | 35.4 | Very low | 129 Ų | 129 | 148.7 Ų | 148.7 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | -62.9 | 143.4 | 171.4 | 30.1 | 0 | 0 | 0 | 0 | 112.7 | Y309 | T307-Y309 PolarHBondContact O-N 3.11Š| ||
| 308 | I | 38.3 | Very low | 35.3 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 82% | 0.815 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -75.8 | 86.2 | 178.3 | -57.2 | 168.3 | 0 | 0 | 0 | 109.3 | ||
| 309 | Y | 35.7 | Very low | 35.7 | Very low | 220 Ų | 220 | 149.8 Ų | 149.8 | 86% | 0.863 | 82% | 0.815 | S | S | * | * | trans | -156.4 | 107.7 | 150.6 | -76.6 | -68.2 | 0 | 0 | 0 | 109.3 | T307 | T307-Y309 PolarHBondContact O-N 3.11Š| ||
| 310 | S | 36.3 | Very low | 36.1 | Very low | 114 Ų | 114 | 149.3 Ų | 149.3 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | 143.2 | 122.4 | 165.3 | 54.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 311 | T | 35.3 | Very low | 35.6 | Very low | 134 Ų | 134 | 150.4 Ų | 150.4 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | -162.8 | 133 | 54.5 | -52.1 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 312 | V | 44.2 | Very low | 35.7 | Very low | 124 Ų | 124 | 152.3 Ų | 152.3 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | trans | -73.4 | 152.8 | 167.6 | 169.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 313 | N | 36.3 | Very low | 36 | Very low | 133 Ų | 133 | 148.5 Ų | 148.5 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | 84.7 | 94.2 | 172.4 | -79 | -5.5 | 0 | 0 | 0 | 118.5 | ||||
| 314 | H | 32.8 | Very low | 35.6 | Very low | 201 Ų | 201 | 151.8 Ų | 151.8 | 93% | 0.931 | 82% | 0.819 | S | S | * | * | trans | -134.3 | 88.7 | 130.6 | -92.2 | -76 | 0 | 0 | 0 | 109.1 | ||||
| 315 | S | 33.7 | Very low | 35.9 | Very low | 103 Ų | 103 | 152.1 Ų | 152.1 | 72% | 0.72 | 82% | 0.822 | S | S | * | * | trans | -72.4 | 126.2 | 164.2 | 56.2 | 0 | 0 | 0 | 0 | 109.3 | E317 | S315-E317 PolarHBondContact O-N 2.96Š| ||
| 316 | K | 35.6 | Very low | 35.5 | Very low | 208 Ų | 208 | 151.1 Ų | 151.1 | 90% | 0.904 | 82% | 0.815 | S | S | * | * | trans | -63.1 | 117.1 | 167.2 | -78.1 | 173.8 | 174.6 | 173.8 | 0 | 109.5 | S318 | K316-S318 PolarHBondContact O-N 3.13Š| ||
| 317 | E | 32.6 | Very low | 35.6 | Very low | 188 Ų | 188 | 149.3 Ų | 149.3 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | trans | -81.9 | 106.6 | 164.3 | -170 | 174.3 | -177.9 | 0 | 0 | 108.5 | S315 | S315-E317 PolarHBondContact O-N 2.96Š| ||
| 318 | S | 36.3 | Very low | 35.9 | Very low | 108 Ų | 108 | 150 Ų | 150 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -91.2 | 113 | 168.9 | 55.5 | 0 | 0 | 0 | 0 | 109.6 | K316 | K316-S318 PolarHBondContact O-N 3.13Š| ||
| 319 | K | 34.9 | Very low | 36 | Very low | 190 Ų | 190 | 149.5 Ų | 149.5 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -58.6 | 137.9 | 167.8 | -105.1 | 176 | 176 | 174.5 | 0 | 111.1 | ||||
| 320 | P | 37.1 | Very low | 36.3 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -80.8 | 129 | 166.7 | 30 | -28.6 | 0 | 0 | 0 | 110.7 | ||||
| 321 | T | 33.3 | Very low | 36.6 | Very low | 140 Ų | 140 | 146.3 Ų | 146.3 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -79.2 | 114 | 168.7 | -48.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 322 | F | 33.6 | Very low | 37.2 | Very low | 200 Ų | 200 | 149.9 Ų | 149.9 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | trans | -80.9 | 121 | 174.1 | -134.7 | -91 | 0 | 0 | 0 | 109.4 | R324 | F322-R324 PolarHBondContact O-N 2.9Š| ||
| 323 | S | 34.5 | Very low | 36.8 | Very low | 112 Ų | 112 | 151.2 Ų | 151.2 | 78% | 0.783 | 83% | 0.83 | S | S | * | * | trans | -75.5 | 115.1 | 170.1 | 48.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 324 | R | 33.4 | Very low | 36.8 | Very low | 236 Ų | 236 | 152.2 Ų | 152.2 | 89% | 0.891 | 84% | 0.836 | S | S | * | * | trans | -80.4 | 117.3 | 173.2 | -170.6 | 176.8 | -166.6 | 156.8 | 2.6 | 109.2 | F322 | F322-R324 PolarHBondContact O-N 2.9Š| ||
| 325 | A | 36.6 | Very low | 37.1 | Very low | 97 Ų | 97 | 149.4 Ų | 149.4 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | trans | -73.5 | 127.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 326 | T | 36.4 | Very low | 37.3 | Very low | 124 Ų | 124 | 152.2 Ų | 152.2 | 76% | 0.761 | 84% | 0.838 | S | S | * | * | trans | -93.8 | 112.4 | 170.8 | -43 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 327 | A | 36.3 | Very low | 37.4 | Very low | 96 Ų | 96 | 148.7 Ų | 148.7 | 79% | 0.793 | 83% | 0.834 | S | S | * | * | trans | -72.7 | 122.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 328 | L | 40.7 | Very low | 37.7 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 74% | 0.743 | 83% | 0.831 | S | S | * | * | trans | -105 | 103.4 | 166.3 | -150.8 | 94.5 | 0 | 0 | 0 | 107 | ||||
| 329 | D | 40.3 | Very low | 37.8 | Very low | 149 Ų | 149 | 148.8 Ų | 148.8 | 80% | 0.797 | 84% | 0.836 | S | S | * | * | trans | -88.4 | 119.7 | 166.4 | -150.8 | 3.7 | 0 | 0 | 0 | 105.9 | ||||
| 330 | N | 42.9 | Very low | 38 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 73% | 0.733 | 84% | 0.837 | S | S | * | * | trans | -127.9 | 103.1 | 171.8 | -92.6 | -11.9 | 0 | 0 | 0 | 108.8 | ||||
| 331 | V | 41.8 | Very low | 38.1 | Very low | 130 Ų | 130 | 147.8 Ų | 147.8 | 79% | 0.788 | 84% | 0.842 | S | S | * | * | trans | -73.9 | 116.6 | 155.5 | 171.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 332 | V | 47.4 | Very low | 38.5 | Very low | 210 Ų | 210 | 148.5 Ų | 148.5 | 100% | 1.273 | 84% | 0.84 | S | S | * | * | -162.3 | 0 | 124.7 | 175.4 | 0 | 0 | 0 | 0 | 106.8 |
Retrieved 332 of 332 residues in 107 ms
(Link to these results)