| 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 | 73.6 | Confident | 80.1 | Confident | 222 Ų | 222 | 111.2 Ų | 111.2 | 100% | 1.094 | 61% | 0.606 | S | S | * | * | 0 | 122.8 | 0 | -175.3 | 172.2 | 76.9 | 0 | 0 | 107.8 | V3 | M1-V3 HydrophobicContact CE-CG2 3.89Å; M1-V3 HydrophobicContact CG-CG2 4.18Å | |||
| 2 | Q | 82.9 | Confident | 79.5 | Confident | 198 Ų | 198 | 112.6 Ų | 112.6 | 93% | 0.925 | 61% | 0.605 | S | S | * | * | trans | -98.9 | 131.7 | 175.6 | -70.3 | 178.4 | -26.3 | 0 | 0 | 108.4 | ||||
| 3 | V | 85.9 | Confident | 78.9 | Confident | 100 Ų | 100 | 109.5 Ų | 109.5 | 61% | 0.606 | 62% | 0.616 | S | S | * | * | trans | -127.1 | 129.1 | -179.5 | -175.8 | 0 | 0 | 0 | 0 | 107.7 | M1 I5 | M1-V3 HydrophobicContact CE-CG2 3.89Å; M1-V3 HydrophobicContact CG-CG2 4.18Å; V3-I5 HydrophobicContact CG1-CD1 4.34Å; V3-I5 HydrophobicContact CG1-CG1 3.82Å | ||
| 4 | L | 86.2 | Confident | 78.7 | Confident | 111 Ų | 111 | 104 Ų | 104 | 58% | 0.581 | 58% | 0.584 | S | S | * | * | trans | -106.8 | 122 | 171.1 | -177.1 | 63.7 | 0 | 0 | 0 | 108 | V10 I14 | L4-V10 HydrophobicContact CD1-CG1 4.37Å; L4-V10 HydrophobicContact CD2-CG1 3.47Å; L4-V10 VanDerWaalsContact CD2-CG1 3.47Å; L4-V10 HydrophobicContact CG-CG1 3.65Å; L4-I14 HydrophobicContact CD2-CD1 4.01Å | ||
| 5 | I | 86.7 | Confident | 78.8 | Confident | 152 Ų | 152 | 105.7 Ų | 105.7 | 78% | 0.779 | 59% | 0.591 | S | S | * | * | trans | -115.1 | 133.1 | 179.1 | -55.5 | 178.4 | 0 | 0 | 0 | 107.7 | V3 | V3-I5 HydrophobicContact CG1-CD1 4.34Å; V3-I5 HydrophobicContact CG1-CG1 3.82Å | ||
| 6 | G | 85 | Confident | 79 | Confident | 52 Ų | 52 | 104.1 Ų | 104.1 | 54% | 0.536 | 58% | 0.58 | S | S | . | * | trans | -176.7 | -168.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 7 | T | 83.2 | Confident | 79 | Confident | 98 Ų | 98 | 108.1 Ų | 108.1 | 60% | 0.601 | 59% | 0.59 | S | S | * | * | trans | -75 | 176 | 177.7 | 65.2 | 0 | 0 | 0 | 0 | 110.4 | L9 V10 | T7-L9 PolarHBondContact O-N 3.04Å; T7-V10 WeakPolarHBondContact O-CB 3.4Å; T7-V10 PolarHBondContact O-N 2.82Å | ||
| 8 | K | 73.7 | Confident | 79.3 | Confident | 75 Ų | 75 | 111.1 Ų | 111.1 | 33% | 0.326 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -48.5 | -34.9 | 174.4 | -177.6 | 175.7 | 170.2 | -177.6 | 0 | 113.4 | V10 T11 L29 E33 | K8-V10 PolarHBondContact O-N 3.01Å; K8-T11 WeakPolarHBondContact O-CB 3.5Å; K8-T11 PolarHBondContact O-N 2.78Å; K8-T11 PolarHBondContact O-OG1 2.66Å; K8-L29 HydrophobicContact CD-CD2 4.22Å; K8-E33 IonicContact NZ-OE1 3.78Å; K8-E33 PolarHBondContact NZ-OE1 3.41Å; K8-E33 IonicContact NZ-OE2 2.82Å; K8-E33 PolarHBondContact NZ-OE2 3.24Å |
| 9 | L | 76.6 | Confident | 79.6 | Confident | 113 Ų | 113 | 106.6 Ų | 106.6 | 59% | 0.592 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -62.1 | -27.2 | 178.4 | -62.9 | 178.1 | 0 | 0 | 0 | 113.3 | T7 T11 E12 | T7-L9 PolarHBondContact O-N 3.04Å; L9-T11 PolarHBondContact O-N 3.24Å; L9-E12 WeakPolarHBondContact CD2-OE1 3.32Å; L9-E12 WeakPolarHBondContact O-CB 3.46Å; L9-E12 PolarHBondContact O-N 3.13Å |
| 10 | V | 76 | Confident | 79.9 | Confident | 51 Ų | 51 | 106.3 Ų | 106.3 | 31% | 0.309 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -61 | -28.8 | 175.4 | 163.9 | 0 | 0 | 0 | 0 | 111 | L4 T7 K8 E12 I14 | L4-V10 HydrophobicContact CD1-CG1 4.37Å; L4-V10 HydrophobicContact CD2-CG1 3.47Å; L4-V10 VanDerWaalsContact CD2-CG1 3.47Å; L4-V10 HydrophobicContact CG-CG1 3.65Å; T7-V10 WeakPolarHBondContact O-CB 3.4Å; T7-V10 PolarHBondContact O-N 2.82Å; K8-V10 PolarHBondContact O-N 3.01Å; V10-E12 VanDerWaalsContact C-N 3.29Å; V10-E12 PolarHBondContact O-N 3.28Å; V10-I14 HydrophobicContact CG1-CD1 4.08Å; V10-I14 WeakPolarHBondContact O-CD1 3.5Å; V10-I14 WeakPolarHBondContact O-CG1 3.46Å |
| 11 | T | 71.5 | Confident | 80.3 | Confident | 51 Ų | 51 | 105.8 Ų | 105.8 | 31% | 0.313 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -73.7 | -18 | 176.3 | 69.1 | 0 | 0 | 0 | 0 | 113.8 | K8 L9 G13 R40 | K8-T11 WeakPolarHBondContact O-CB 3.5Å; K8-T11 PolarHBondContact O-N 2.78Å; K8-T11 PolarHBondContact O-OG1 2.66Å; L9-T11 PolarHBondContact O-N 3.24Å; T11-G13 PolarHBondContact O-N 2.85Å; T11-R40 PolarHBondContact O-NH1 2.83Å; T11-R40 VanDerWaalsContact O-NH1 3.1Å; T11-R40 PolarHBondContact O-NH2 3.21Å |
| 12 | E | 72.6 | Confident | 80.9 | Confident | 128 Ų | 128 | 96.4 Ų | 96.4 | 60% | 0.598 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 118.9 | 176.6 | -61.2 | 179.2 | -169.8 | 0 | 0 | 108.8 | L9 V10 | L9-E12 WeakPolarHBondContact CD2-OE1 3.32Å; L9-E12 WeakPolarHBondContact O-CB 3.46Å; L9-E12 PolarHBondContact O-N 3.13Å; V10-E12 VanDerWaalsContact C-N 3.29Å; V10-E12 PolarHBondContact O-N 3.28Å |
| 13 | G | 71.3 | Confident | 81.1 | Confident | 72 Ų | 72 | 91.3 Ų | 91.3 | 74% | 0.742 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | 2.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | T11 D15 | T11-G13 PolarHBondContact O-N 2.85Å; G13-D15 PolarHBondContact O-N 3.42Å |
| 14 | I | 76.4 | Confident | 81 | Confident | 33 Ų | 33 | 87.2 Ų | 87.2 | 17% | 0.169 | 47% | 0.474 | C | S | . | . | trans | -64.4 | 110.3 | 172.6 | -60 | -172.9 | 0 | 0 | 0 | 110.8 | L4 V10 I16 R40 | L4-I14 HydrophobicContact CD2-CD1 4.01Å; V10-I14 HydrophobicContact CG1-CD1 4.08Å; V10-I14 WeakPolarHBondContact O-CD1 3.5Å; V10-I14 WeakPolarHBondContact O-CG1 3.46Å; I14-I16 HydrophobicContact CG2-CB 4.04Å; I14-I16 HydrophobicContact CG2-CD1 3.62Å; I14-I16 HydrophobicContact CG2-CG1 3.6Å; I14-R40 VanDerWaalsContact N-NH1 3.14Å; I14-R40 PolarHBondContact O-NH1 2.89Å | ||
| 15 | D | 79.9 | Confident | 80.8 | Confident | 130 Ų | 130 | 87.8 Ų | 87.8 | 70% | 0.695 | 48% | 0.477 | S | S | * | . | trans | -115.2 | 73.3 | 166.2 | -172.9 | 25.6 | 0 | 0 | 0 | 110.2 | G13 | G13-D15 PolarHBondContact O-N 3.42Š| ||
| 16 | I | 81.6 | Confident | 80.3 | Confident | 79 Ų | 79 | 83.3 Ų | 83.3 | 41% | 0.405 | 45% | 0.454 | S | S | . | . | trans | -98.1 | 107.9 | 175.1 | -64.5 | 170.5 | 0 | 0 | 0 | 107.6 | I14 Q18 L19 | I14-I16 HydrophobicContact CG2-CB 4.04Å; I14-I16 HydrophobicContact CG2-CD1 3.62Å; I14-I16 HydrophobicContact CG2-CG1 3.6Å; I16-Q18 PolarHBondContact O-N 3.09Å; I16-L19 HydrophobicContact CB-CB 4.25Å; I16-L19 HydrophobicContact CG2-CB 4.24Å; I16-L19 PolarHBondContact O-N 3.46Å | ||
| 17 | K | 79 | Confident | 79.5 | Confident | 173 Ų | 173 | 82.8 Ų | 82.8 | 75% | 0.752 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -24.1 | -175.4 | -66.7 | -175.6 | 178.3 | -179.1 | 0 | 114.7 | ||
| 18 | Q | 84.5 | Confident | 79.2 | Confident | 161 Ų | 161 | 85.1 Ų | 85.1 | 75% | 0.752 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123 | 37.6 | -176 | -63.5 | 178.2 | -4.3 | 0 | 0 | 111.8 | I16 M20 | I16-Q18 PolarHBondContact O-N 3.09Å; Q18-M20 WeakPolarHBondContact O-CG 3.32Å; Q18-M20 PolarHBondContact O-N 3.44Å |
| 19 | L | 84.9 | Confident | 79.2 | Confident | 27 Ų | 27 | 81.9 Ų | 81.9 | 14% | 0.141 | 42% | 0.423 | C | S | . | . | trans | -69.2 | 99.7 | 177.9 | -173 | 65.8 | 0 | 0 | 0 | 110.5 | I16 V22 R40 L41 R42 | I16-L19 HydrophobicContact CB-CB 4.25Å; I16-L19 HydrophobicContact CG2-CB 4.24Å; I16-L19 PolarHBondContact O-N 3.46Å; L19-V22 HydrophobicContact CD1-CG2 4.41Å; L19-V22 HydrophobicContact CD2-CG2 3.73Å; L19-V22 HydrophobicContact CG-CG2 4.14Å; L19-R40 HydrophobicContact CD2-CB 4.06Å; L19-L41 HydrophobicContact CD2-CD2 4.5Å; L19-L41 HydrophobicContact CG-CD2 4.19Å; L19-L41 WeakPolarHBondContact O-CD2 3.47Å; L19-R42 PolarHBondContact O-N 2.88Å | ||
| 20 | M | 86.9 | Confident | 79.4 | Confident | 99 Ų | 99 | 77.4 Ų | 77.4 | 49% | 0.488 | 40% | 0.4 | S | S | . | . | trans | -91.2 | -20.4 | -177.2 | -64.1 | -53 | -63.3 | 0 | 0 | 114.1 | Q18 G45 L46 | Q18-M20 WeakPolarHBondContact O-CG 3.32Å; Q18-M20 PolarHBondContact O-N 3.44Å; M20-G45 CarbonylContact O-C 3.58Å; M20-G45 WeakPolarHBondContact O-CA 3.32Å; M20-L46 PolarHBondContact O-N 2.9Å | ||
| 21 | M | 87.2 | Confident | 79.8 | Confident | 97 Ų | 97 | 75.2 Ų | 75.2 | 48% | 0.478 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 135.9 | -174.4 | -170.5 | 180 | -66.7 | 0 | 0 | 111.6 | I23 L46 Y48 | M21-I23 HydrophobicContact CG-CG1 4.1Å; M21-I23 HydrophobicContact SD-CD1 3.89Å; M21-I23 HydrophobicContact SD-CG1 4.05Å; M21-L46 CarbonylContact C-O 3.59Å; M21-L46 VanDerWaalsContact CA-O 3.31Å; M21-L46 WeakPolarHBondContact CA-O 3.46Å; M21-Y48 HydrophobicContact CE-CE2 4.25Å; M21-Y48 HydrophobicContact CG-CD2 4.29Å; M21-Y48 HydrophobicContact CG-CE2 4.37Å; M21-Y48 HydrophobicContact SD-CD2 4.43Å; M21-Y48 HydrophobicContact SD-CE2 4.27Å |
| 22 | V | 86.2 | Confident | 80.4 | Confident | 24 Ų | 24 | 75.4 Ų | 75.4 | 15% | 0.145 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 126.4 | 169.8 | 172.6 | 0 | 0 | 0 | 0 | 108 | L19 M24 L41 L46 C47 Y48 | L19-V22 HydrophobicContact CD1-CG2 4.41Å; L19-V22 HydrophobicContact CD2-CG2 3.73Å; L19-V22 HydrophobicContact CG-CG2 4.14Å; V22-M24 HydrophobicContact CG1-CE 3.78Å; V22-M24 HydrophobicContact CG1-CG 3.94Å; V22-L41 HydrophobicContact CB-CD2 4.39Å; V22-L41 HydrophobicContact CG2-CD2 3.83Å; V22-L41 HydrophobicContact CG2-CG 4.37Å; V22-L46 PolarHBondContact N-O 2.94Å; V22-C47 CarbonylContact O-C 3.55Å; V22-C47 WeakPolarHBondContact O-CA 3.35Å; V22-Y48 PolarHBondContact O-N 2.99Å |
| 23 | I | 87.3 | Confident | 80.8 | Confident | 92 Ų | 92 | 71.6 Ų | 71.6 | 47% | 0.472 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 117.7 | 173.8 | -51.4 | 179.1 | 0 | 0 | 0 | 107.7 | M21 L25 Y48 L50 | M21-I23 HydrophobicContact CG-CG1 4.1Å; M21-I23 HydrophobicContact SD-CD1 3.89Å; M21-I23 HydrophobicContact SD-CG1 4.05Å; I23-L25 HydrophobicContact CG2-CD2 3.75Å; I23-L25 HydrophobicContact CG2-CG 4.26Å; I23-Y48 CarbonylContact C-O 3.42Å; I23-Y48 WeakPolarHBondContact CA-O 3.48Å; I23-Y48 HydrophobicContact CG1-CD2 4.25Å; I23-L50 HydrophobicContact CG2-CD1 3.88Å; I23-L50 HydrophobicContact CG2-CG 4.36Å |
| 24 | M | 83.6 | Confident | 81.4 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 7% | 0.069 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 116.2 | 178.1 | -64.4 | 171.8 | 177.7 | 0 | 0 | 108.4 | V22 N27 L29 L34 Y48 L49 L50 | V22-M24 HydrophobicContact CG1-CE 3.78Å; V22-M24 HydrophobicContact CG1-CG 3.94Å; M24-N27 HydrophobicContact CB-CB 4.12Å; M24-L29 HydrophobicContact CE-CD1 4.03Å; M24-L29 HydrophobicContact CG-CD1 4.34Å; M24-L29 HydrophobicContact SD-CD1 3.18Å; M24-L29 WeakPolarHBondContact SD-CD1 3.43Å; M24-L34 HydrophobicContact SD-CD1 4.17Å; M24-Y48 PolarHBondContact N-O 3.28Å; M24-L49 HydrophobicContact CB-CD1 3.42Å; M24-L49 VanDerWaalsContact CB-CD1 3.42Å; M24-L49 HydrophobicContact CG-CD1 4.46Å; M24-L49 HydrophobicContact SD-CD1 4.27Å; M24-L50 PolarHBondContact O-N 3.24Å |
| 25 | L | 81.8 | Confident | 81.8 | Confident | 123 Ų | 123 | 68.8 Ų | 68.8 | 64% | 0.644 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 124.5 | -177.8 | -59.2 | -179.9 | 0 | 0 | 0 | 110.7 | I23 N27 L50 | I23-L25 HydrophobicContact CG2-CD2 3.75Å; I23-L25 HydrophobicContact CG2-CG 4.26Å; L25-N27 PolarHBondContact O-N 3.45Å; L25-L50 CarbonylContact C-O 3.6Å; L25-L50 WeakPolarHBondContact CA-O 3.45Å; L25-L50 HydrophobicContact CD2-CB 3.81Å; L25-L50 HydrophobicContact CD2-CD1 3.74Å; L25-L50 HydrophobicContact CD2-CG 4.24Å |
| 26 | D | 76.6 | Confident | 82 | Confident | 57 Ų | 57 | 68.7 Ų | 68.7 | 31% | 0.305 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 48.2 | 28 | 179.7 | -76.4 | -22.1 | 0 | 0 | 0 | 113.5 | R28 L50 S51 R52 | D26-R28 PolarHBondContact O-N 2.87Å; D26-L50 PolarHBondContact N-O 2.96Å; D26-S51 WeakPolarHBondContact OD1-CA 3.44Å; D26-R52 PolarHBondContact OD1-N 3.02Å; D26-R52 IonicContact OD1-NE 2.6Å; D26-R52 IonicContact OD2-CZ 3.71Å; D26-R52 IonicContact OD2-NE 2.86Å; D26-R52 PolarHBondContact OD2-NE 3.23Å; D26-R52 IonicContact OD2-NH2 2.66Å; D26-R52 PolarHBondContact OD2-NH2 3.37Å |
| 27 | N | 69.5 | Low | 81.9 | Confident | 41 Ų | 41 | 65.4 Ų | 65.4 | 22% | 0.219 | 32% | 0.316 | C | S | . | . | trans | -84.4 | 119.3 | -172.9 | -159.4 | -7.5 | 0 | 0 | 0 | 110.3 | M24 L25 L29 L49 | M24-N27 HydrophobicContact CB-CB 4.12Å; L25-N27 PolarHBondContact O-N 3.45Å; N27-L29 VanDerWaalsContact C-N 3.34Å; N27-L29 HydrophobicContact CB-CD1 4.17Å; N27-L29 HydrophobicContact CB-CG 4.07Å; N27-L29 PolarHBondContact O-N 3.12Å; N27-L29 VanDerWaalsContact O-N 3.1Å; N27-L29 WeakPolarHBondContact OD1-CD2 3.05Å; N27-L49 HydrophobicContact CB-CD1 4.34Å | ||
| 28 | R | 75.1 | Confident | 82.1 | Confident | 148 Ų | 148 | 59.2 Ų | 59.2 | 56% | 0.558 | 29% | 0.292 | S | S | * | . | trans | -85.3 | 77.2 | 179 | -71.7 | -173.2 | -174.4 | -176.8 | 2 | 110 | D26 A58 | D26-R28 PolarHBondContact O-N 2.87Å; R28-A58 HydrophobicContact CB-CB 3.91Å; R28-A58 WeakPolarHBondContact O-CB 3.4Å | ||
| 29 | L | 75.2 | Confident | 82 | Confident | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | trans | -93.3 | 143.4 | -177.8 | -61.6 | 168.9 | 0 | 0 | 0 | 111.5 | K8 M24 N27 E33 L49 | K8-L29 HydrophobicContact CD-CD2 4.22Å; M24-L29 HydrophobicContact CE-CD1 4.03Å; M24-L29 HydrophobicContact CG-CD1 4.34Å; M24-L29 HydrophobicContact SD-CD1 3.18Å; M24-L29 WeakPolarHBondContact SD-CD1 3.43Å; N27-L29 VanDerWaalsContact C-N 3.34Å; N27-L29 HydrophobicContact CB-CD1 4.17Å; N27-L29 HydrophobicContact CB-CG 4.07Å; N27-L29 PolarHBondContact O-N 3.12Å; N27-L29 VanDerWaalsContact O-N 3.1Å; N27-L29 WeakPolarHBondContact OD1-CD2 3.05Å; L29-E33 WeakPolarHBondContact CA-OE2 3.49Å; L29-E33 HydrophobicContact CB-CB 4.32Å; L29-E33 HydrophobicContact CD2-CB 3.79Å; L29-E33 WeakPolarHBondContact CD2-OE2 3.4Å; L29-L49 HydrophobicContact CD1-CD1 4.49Å | ||
| 30 | N | 80.9 | Confident | 81.8 | Confident | 20 Ų | 20 | 56.4 Ų | 56.4 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -84.9 | 171.8 | 159.1 | 67.6 | 55.8 | 0 | 0 | 0 | 110.1 | I32 E33 L34 L65 | N30-I32 VanDerWaalsContact C-N 3.34Å; N30-I32 PolarHBondContact O-N 3.3Å; N30-I32 WeakPolarHBondContact OD1-CB 3.38Å; N30-I32 PolarHBondContact OD1-N 3.18Å; N30-E33 PolarHBondContact N-OE2 2.93Å; N30-E33 PolarHBondContact ND2-OE1 3.39Å; N30-E33 VanDerWaalsContact ND2-OE1 3.12Å; N30-E33 PolarHBondContact O-N 3.23Å; N30-E33 WeakPolarHBondContact OD1-CG 3.17Å; N30-E33 PolarHBondContact OD1-N 3.31Å; N30-L34 PolarHBondContact O-N 3.42Å; N30-L34 VanDerWaalsContact O-N 3.14Å; N30-L65 HydrophobicContact CB-CB 3.96Å; N30-L65 HydrophobicContact CB-CD1 4.33Å |
| 31 | I | 82.9 | Confident | 81.7 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.7 | -34 | -175 | -162.3 | 165.6 | 0 | 0 | 0 | 114.8 | E33 L34 I35 P66 I68 Q76 V77 F80 | I31-E33 VanDerWaalsContact C-N 3.35Å; I31-L34 PolarHBondContact O-N 3.4Å; I31-I35 HydrophobicContact CG1-CD1 4.06Å; I31-I35 WeakPolarHBondContact O-CD1 3.07Å; I31-I35 VanDerWaalsContact O-CG1 3.25Å; I31-I35 WeakPolarHBondContact O-CG1 3.25Å; I31-I35 PolarHBondContact O-N 2.88Å; I31-P66 HydrophobicContact CG2-CG 3.94Å; I31-P66 PolarHBondContact N-O 2.63Å; I31-I68 HydrophobicContact CB-CD1 3.84Å; I31-I68 HydrophobicContact CD1-CD1 4.44Å; I31-I68 HydrophobicContact CG1-CD1 3.84Å; I31-Q76 VanDerWaalsContact CD1-C 3.4Å; I31-Q76 HydrophobicContact CD1-CB 4.03Å; I31-Q76 WeakPolarHBondContact CD1-O 3.4Å; I31-V77 HydrophobicContact CD1-CB 4.4Å; I31-V77 HydrophobicContact CD1-CG2 3.94Å; I31-V77 HydrophobicContact CG1-CG2 4.1Å; I31-F80 HydrophobicContact CD1-CB 3.58Å; I31-F80 HydrophobicContact CD1-CG 4.09Å; I31-F80 HydrophobicContact CG1-CB 4.5Å; I31-F80 HydrophobicContact CG2-CB 4.17Å; I31-F80 HydrophobicContact CG2-CD1 3.99Å; I31-F80 HydrophobicContact CG2-CD2 3.32Å; I31-F80 HydrophobicContact CG2-CE1 4.23Å; I31-F80 HydrophobicContact CG2-CE2 3.58Å; I31-F80 HydrophobicContact CG2-CG 3.54Å; I31-F80 HydrophobicContact CG2-CZ 4.04Å |
| 32 | I | 84.9 | Confident | 81.5 | Confident | 55 Ų | 55 | 53.4 Ų | 53.4 | 28% | 0.282 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 177.4 | -62.1 | -174.3 | 0 | 0 | 0 | 109.9 | N30 L34 I35 Q36 L65 F80 | N30-I32 VanDerWaalsContact C-N 3.34Å; N30-I32 PolarHBondContact O-N 3.3Å; N30-I32 WeakPolarHBondContact OD1-CB 3.38Å; N30-I32 PolarHBondContact OD1-N 3.18Å; I32-L34 VanDerWaalsContact C-N 3.29Å; I32-L34 PolarHBondContact O-N 3.2Å; I32-I35 PolarHBondContact O-N 2.84Å; I32-Q36 HydrophobicContact CG2-CG 4.3Å; I32-Q36 WeakPolarHBondContact O-CB 3.24Å; I32-Q36 WeakPolarHBondContact O-CG 3.25Å; I32-Q36 PolarHBondContact O-N 3.19Å; I32-L65 HydrophobicContact CB-CD1 4.4Å; I32-L65 HydrophobicContact CD1-CD1 3.64Å; I32-L65 HydrophobicContact CD1-CD2 3.53Å; I32-L65 HydrophobicContact CD1-CG 4.25Å; I32-L65 HydrophobicContact CG1-CD1 4.06Å; I32-L65 HydrophobicContact CG1-CD2 4.12Å; I32-F80 HydrophobicContact CD1-CZ 3.78Å; I32-F80 HydrophobicContact CG1-CE1 4.01Å; I32-F80 HydrophobicContact CG1-CE2 4.2Å; I32-F80 HydrophobicContact CG1-CZ 3.47Å; I32-F80 VanDerWaalsContact CG1-CZ 3.47Å |
| 33 | E | 82 | Confident | 81.2 | Confident | 49 Ų | 49 | 57.6 Ų | 57.6 | 23% | 0.229 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.2 | -37.6 | -179.6 | -64.1 | 169.2 | 166.5 | 0 | 0 | 111.6 | K8 L29 N30 I31 G37 | K8-E33 IonicContact NZ-OE1 3.78Å; K8-E33 PolarHBondContact NZ-OE1 3.41Å; K8-E33 IonicContact NZ-OE2 2.82Å; K8-E33 PolarHBondContact NZ-OE2 3.24Å; L29-E33 WeakPolarHBondContact CA-OE2 3.49Å; L29-E33 HydrophobicContact CB-CB 4.32Å; L29-E33 HydrophobicContact CD2-CB 3.79Å; L29-E33 WeakPolarHBondContact CD2-OE2 3.4Å; N30-E33 PolarHBondContact N-OE2 2.93Å; N30-E33 PolarHBondContact ND2-OE1 3.39Å; N30-E33 VanDerWaalsContact ND2-OE1 3.12Å; N30-E33 PolarHBondContact O-N 3.23Å; N30-E33 WeakPolarHBondContact OD1-CG 3.17Å; N30-E33 PolarHBondContact OD1-N 3.31Å; I31-E33 VanDerWaalsContact C-N 3.35Å; E33-G37 PolarHBondContact O-N 3.39Å |
| 34 | L | 82.8 | Confident | 80.8 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.8 | -49.9 | 172.7 | -177.3 | 66.3 | 0 | 0 | 0 | 111.2 | M24 N30 I31 I32 Q36 G37 V38 I68 I73 | M24-L34 HydrophobicContact SD-CD1 4.17Å; N30-L34 PolarHBondContact O-N 3.42Å; N30-L34 VanDerWaalsContact O-N 3.14Å; I31-L34 PolarHBondContact O-N 3.4Å; I32-L34 VanDerWaalsContact C-N 3.29Å; I32-L34 PolarHBondContact O-N 3.2Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; L34-Q36 PolarHBondContact O-N 2.87Å; L34-G37 PolarHBondContact O-N 3.39Å; L34-V38 HydrophobicContact CD1-CG2 3.93Å; L34-V38 HydrophobicContact CG-CG2 4.24Å; L34-V38 WeakPolarHBondContact O-CB 3.44Å; L34-V38 VanDerWaalsContact O-CG2 3.25Å; L34-V38 WeakPolarHBondContact O-CG2 3.42Å; L34-V38 PolarHBondContact O-N 3Å; L34-I68 HydrophobicContact CB-CD1 4.3Å; L34-I68 HydrophobicContact CB-CG1 4.47Å; L34-I68 HydrophobicContact CD2-CD1 3.57Å; L34-I68 HydrophobicContact CD2-CG1 4.03Å; L34-I73 HydrophobicContact CD2-CD1 3.92Å; L34-I73 HydrophobicContact CD2-CG1 4.32Å; L34-I73 HydrophobicContact CD2-CG2 3.49Å; L34-I73 VanDerWaalsContact CD2-CG2 3.49Å |
| 35 | I | 85.7 | Confident | 80.8 | Confident | 40 Ų | 40 | 55.7 Ų | 55.7 | 21% | 0.205 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.7 | -46.4 | 179.4 | -69.1 | 160 | 0 | 0 | 0 | 110.7 | I31 I32 G39 V77 F80 Y81 | I31-I35 HydrophobicContact CG1-CD1 4.06Å; I31-I35 WeakPolarHBondContact O-CD1 3.07Å; I31-I35 VanDerWaalsContact O-CG1 3.25Å; I31-I35 WeakPolarHBondContact O-CG1 3.25Å; I31-I35 PolarHBondContact O-N 2.88Å; I32-I35 PolarHBondContact O-N 2.84Å; I35-G39 PolarHBondContact O-N 3.1Å; I35-V77 HydrophobicContact CD1-CG1 4.11Å; I35-V77 HydrophobicContact CD1-CG2 4.18Å; I35-V77 HydrophobicContact CG1-CG1 4.32Å; I35-V77 HydrophobicContact CG1-CG2 3.96Å; I35-F80 HydrophobicContact CD1-CD1 4.16Å; I35-F80 HydrophobicContact CD1-CE1 4.35Å; I35-Y81 HydrophobicContact CD1-CE2 3.69Å |
| 36 | Q | 83.5 | Confident | 81.1 | Confident | 127 Ų | 127 | 53.8 Ų | 53.8 | 59% | 0.593 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.1 | -38.9 | 179.7 | -72.2 | 178.7 | -10.3 | 0 | 0 | 112.7 | I32 L34 | I32-Q36 HydrophobicContact CG2-CG 4.3Å; I32-Q36 WeakPolarHBondContact O-CB 3.24Å; I32-Q36 WeakPolarHBondContact O-CG 3.25Å; I32-Q36 PolarHBondContact O-N 3.19Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; L34-Q36 PolarHBondContact O-N 2.87Å |
| 37 | G | 80.4 | Confident | 81.5 | Confident | 10 Ų | 10 | 53.2 Ų | 53.2 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.9 | -48.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E33 L34 G39 R40 | E33-G37 PolarHBondContact O-N 3.39Å; L34-G37 PolarHBondContact O-N 3.39Å; G37-G39 VanDerWaalsContact C-N 3.33Å; G37-G39 PolarHBondContact O-N 2.87Å; G37-R40 WeakPolarHBondContact O-CB 3.38Å; G37-R40 PolarHBondContact O-N 2.94Å |
| 38 | V | 82.3 | Confident | 82.2 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 26% | 0.261 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66 | -35.1 | 179.6 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | L34 R40 L41 C47 | L34-V38 HydrophobicContact CD1-CG2 3.93Å; L34-V38 HydrophobicContact CG-CG2 4.24Å; L34-V38 WeakPolarHBondContact O-CB 3.44Å; L34-V38 VanDerWaalsContact O-CG2 3.25Å; L34-V38 WeakPolarHBondContact O-CG2 3.42Å; L34-V38 PolarHBondContact O-N 3Å; V38-R40 PolarHBondContact O-N 3.36Å; V38-L41 HydrophobicContact CG1-CD1 4.28Å; V38-L41 WeakPolarHBondContact O-CB 3.31Å; V38-L41 PolarHBondContact O-N 3.46Å; V38-C47 HydrophobicContact CG2-CB 3.85Å |
| 39 | G | 83.3 | Confident | 82.4 | Confident | 51 Ų | 51 | 50.6 Ų | 50.6 | 53% | 0.526 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -9.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | I35 G37 R42 | I35-G39 PolarHBondContact O-N 3.1Å; G37-G39 VanDerWaalsContact C-N 3.33Å; G37-G39 PolarHBondContact O-N 2.87Å; G39-R42 PolarHBondContact O-NH1 3.46Å |
| 40 | R | 80.3 | Confident | 82.7 | Confident | 78 Ų | 78 | 54.5 Ų | 54.5 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -18.5 | 172.8 | -61.2 | -179.1 | -174 | -115.9 | 3 | 113.4 | T11 I14 L19 G37 V38 R42 | T11-R40 PolarHBondContact O-NH1 2.83Å; T11-R40 VanDerWaalsContact O-NH1 3.1Å; T11-R40 PolarHBondContact O-NH2 3.21Å; I14-R40 VanDerWaalsContact N-NH1 3.14Å; I14-R40 PolarHBondContact O-NH1 2.89Å; L19-R40 HydrophobicContact CD2-CB 4.06Å; G37-R40 WeakPolarHBondContact O-CB 3.38Å; G37-R40 PolarHBondContact O-N 2.94Å; V38-R40 PolarHBondContact O-N 3.36Å; R40-R42 PolarHBondContact O-NH1 2.83Å |
| 41 | L | 84.6 | Confident | 82.4 | Confident | 23 Ų | 23 | 55 Ų | 55 | 12% | 0.12 | 30% | 0.302 | C | S | . | . | trans | -64.5 | 148.6 | 175.3 | -66.7 | 168.9 | 0 | 0 | 0 | 109.9 | L19 V22 V38 C47 | L19-L41 HydrophobicContact CD2-CD2 4.5Å; L19-L41 HydrophobicContact CG-CD2 4.19Å; L19-L41 WeakPolarHBondContact O-CD2 3.47Å; V22-L41 HydrophobicContact CB-CD2 4.39Å; V22-L41 HydrophobicContact CG2-CD2 3.83Å; V22-L41 HydrophobicContact CG2-CG 4.37Å; V38-L41 HydrophobicContact CG1-CD1 4.28Å; V38-L41 WeakPolarHBondContact O-CB 3.31Å; V38-L41 PolarHBondContact O-N 3.46Å; L41-C47 HydrophobicContact CD1-CB 3.78Å | ||
| 42 | R | 82 | Confident | 81.8 | Confident | 111 Ų | 111 | 63.6 Ų | 63.6 | 42% | 0.419 | 33% | 0.334 | S | S | . | . | trans | -124.5 | 157.4 | 177.2 | -59.4 | -66.2 | 176.8 | -102.2 | 2 | 109.3 | L19 G39 R40 G44 G45 | L19-R42 PolarHBondContact O-N 2.88Å; G39-R42 PolarHBondContact O-NH1 3.46Å; R40-R42 PolarHBondContact O-NH1 2.83Å; R42-G44 VanDerWaalsContact C-N 3.32Å; R42-G44 PolarHBondContact O-N 2.81Å; R42-G44 VanDerWaalsContact O-N 3.09Å; R42-G45 PolarHBondContact O-N 2.84Å | ||
| 43 | D | 80.4 | Confident | 80.6 | Confident | 111 Ų | 111 | 70.7 Ų | 70.7 | 59% | 0.594 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 43.3 | 165.4 | -53 | -37.9 | 0 | 0 | 0 | 115.9 | W98 | D43-W98 WeakPolarHBondContact OD1-CZ3 3.46Š|
| 44 | G | 78.9 | Confident | 79.4 | Confident | 55 Ų | 55 | 75.4 Ų | 75.4 | 57% | 0.567 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 24.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R42 | R42-G44 VanDerWaalsContact C-N 3.32Å; R42-G44 PolarHBondContact O-N 2.81Å; R42-G44 VanDerWaalsContact O-N 3.09Å |
| 45 | G | 84.9 | Confident | 78.1 | Confident | 12 Ų | 12 | 76.3 Ų | 76.3 | 12% | 0.124 | 40% | 0.396 | C | S | . | . | trans | -54.1 | 154 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | M20 R42 | M20-G45 CarbonylContact O-C 3.58Å; M20-G45 WeakPolarHBondContact O-CA 3.32Å; R42-G45 PolarHBondContact O-N 2.84Å | ||
| 46 | L | 86.7 | Confident | 76.6 | Confident | 82 Ų | 82 | 77.3 Ų | 77.3 | 43% | 0.429 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 132.6 | -172.9 | -61.4 | 174.8 | 0 | 0 | 0 | 111.1 | M20 M21 V22 Y48 | M20-L46 PolarHBondContact O-N 2.9Å; M21-L46 CarbonylContact C-O 3.59Å; M21-L46 VanDerWaalsContact CA-O 3.31Å; M21-L46 WeakPolarHBondContact CA-O 3.46Å; V22-L46 PolarHBondContact N-O 2.94Å; L46-Y48 HydrophobicContact CB-CD2 4.39Å; L46-Y48 HydrophobicContact CB-CE2 3.76Å; L46-Y48 HydrophobicContact CD1-CE2 4.17Å |
| 47 | C | 85.3 | Confident | 75.1 | Confident | 46 Ų | 46 | 74 Ų | 74 | 31% | 0.311 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 119.2 | 169.8 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | V22 V38 L41 | V22-C47 CarbonylContact O-C 3.55Å; V22-C47 WeakPolarHBondContact O-CA 3.35Å; V38-C47 HydrophobicContact CG2-CB 3.85Å; L41-C47 HydrophobicContact CD1-CB 3.78Å |
| 48 | Y | 85.1 | Confident | 73.9 | Confident | 106 Ų | 106 | 74.1 Ų | 74.1 | 42% | 0.416 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 128.3 | 170.9 | -64.6 | -82 | 0 | 0 | 0 | 109.3 | M21 V22 I23 M24 L46 | M21-Y48 HydrophobicContact CE-CE2 4.25Å; M21-Y48 HydrophobicContact CG-CD2 4.29Å; M21-Y48 HydrophobicContact CG-CE2 4.37Å; M21-Y48 HydrophobicContact SD-CD2 4.43Å; M21-Y48 HydrophobicContact SD-CE2 4.27Å; V22-Y48 PolarHBondContact O-N 2.99Å; I23-Y48 CarbonylContact C-O 3.42Å; I23-Y48 WeakPolarHBondContact CA-O 3.48Å; I23-Y48 HydrophobicContact CG1-CD2 4.25Å; M24-Y48 PolarHBondContact N-O 3.28Å; L46-Y48 HydrophobicContact CB-CD2 4.39Å; L46-Y48 HydrophobicContact CB-CE2 3.76Å; L46-Y48 HydrophobicContact CD1-CE2 4.17Å |
| 49 | L | 79.4 | Confident | 72.4 | Confident | 27 Ų | 27 | 82.8 Ų | 82.8 | 14% | 0.141 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 113.4 | 167.2 | -174.2 | 53 | 0 | 0 | 0 | 106.5 | M24 N27 L29 W56 I68 | M24-L49 HydrophobicContact CB-CD1 3.42Å; M24-L49 VanDerWaalsContact CB-CD1 3.42Å; M24-L49 HydrophobicContact CG-CD1 4.46Å; M24-L49 HydrophobicContact SD-CD1 4.27Å; N27-L49 HydrophobicContact CB-CD1 4.34Å; L29-L49 HydrophobicContact CD1-CD1 4.49Å; L49-W56 HydrophobicContact CB-CH2 3.62Å; L49-W56 HydrophobicContact CB-CZ3 3.62Å; L49-W56 HydrophobicContact CD1-CZ3 4.43Å; L49-W56 HydrophobicContact CD2-CE3 3.49Å; L49-W56 VanDerWaalsContact CD2-CE3 3.49Å; L49-W56 HydrophobicContact CD2-CH2 3.96Å; L49-W56 HydrophobicContact CD2-CZ3 3.07Å; L49-W56 HydrophobicContact CG-CE3 3.75Å; L49-W56 HydrophobicContact CG-CH2 3.45Å; L49-W56 VanDerWaalsContact CG-CH2 3.45Å; L49-W56 HydrophobicContact CG-CZ2 4.4Å; L49-W56 HydrophobicContact CG-CZ3 3.1Å; L49-W56 WeakPolarHBondContact O-CH2 3.18Å; L49-I68 HydrophobicContact CD2-CG2 4.28Å |
| 50 | L | 80.9 | Confident | 71 | Confident | 89 Ų | 89 | 82.7 Ų | 82.7 | 47% | 0.466 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 126.5 | -179 | -55.4 | 176.5 | 0 | 0 | 0 | 107.5 | I23 M24 L25 D26 | I23-L50 HydrophobicContact CG2-CD1 3.88Å; I23-L50 HydrophobicContact CG2-CG 4.36Å; M24-L50 PolarHBondContact O-N 3.24Å; L25-L50 CarbonylContact C-O 3.6Å; L25-L50 WeakPolarHBondContact CA-O 3.45Å; L25-L50 HydrophobicContact CD2-CB 3.81Å; L25-L50 HydrophobicContact CD2-CD1 3.74Å; L25-L50 HydrophobicContact CD2-CG 4.24Å; D26-L50 PolarHBondContact N-O 2.96Å |
| 51 | S | 73.7 | Confident | 69.8 | Low | 29 Ų | 29 | 91 Ų | 91 | 20% | 0.203 | 44% | 0.439 | C | S | . | . | trans | -143.7 | 143.1 | -178.3 | 146.5 | 0 | 0 | 0 | 0 | 109.5 | D26 S55 W56 | D26-S51 WeakPolarHBondContact OD1-CA 3.44Å; S51-S55 WeakPolarHBondContact CB-OG 3.49Å; S51-S55 PolarHBondContact OG-OG 3.21Å; S51-W56 VanDerWaalsContact OG-CD1 3.29Å; S51-W56 PolarHBondContact OG-NE1 3.41Å | ||
| 52 | R | 71.1 | Confident | 68.5 | Low | 186 Ų | 186 | 97.8 Ų | 97.8 | 70% | 0.702 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -63.4 | 137.6 | 168.2 | -72.4 | 179.3 | -76.7 | 177.6 | -4.4 | 109.1 | D26 N54 S55 | D26-R52 PolarHBondContact OD1-N 3.02Å; D26-R52 IonicContact OD1-NE 2.6Å; D26-R52 IonicContact OD2-CZ 3.71Å; D26-R52 IonicContact OD2-NE 2.86Å; D26-R52 PolarHBondContact OD2-NE 3.23Å; D26-R52 IonicContact OD2-NH2 2.66Å; D26-R52 PolarHBondContact OD2-NH2 3.37Å; R52-N54 PolarHBondContact O-N 3.14Å; R52-S55 WeakPolarHBondContact O-CB 3.39Å; R52-S55 PolarHBondContact O-N 3.42Å; R52-S55 PolarHBondContact O-OG 3.5Å |
| 53 | K | 60.4 | Low | 67.4 | Low | 204 Ų | 204 | 95.4 Ų | 95.4 | 89% | 0.887 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -32 | 121.8 | -177.1 | -74.9 | -176.9 | 174 | -178.3 | 0 | 111.7 | ||
| 54 | N | 56.1 | Low | 66.8 | Low | 147 Ų | 147 | 97.2 Ų | 97.2 | 79% | 0.786 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 7.8 | 178.1 | -53.4 | -20.1 | 0 | 0 | 0 | 118.1 | R52 | R52-N54 PolarHBondContact O-N 3.14Š|
| 55 | S | 54.9 | Low | 66.5 | Low | 25 Ų | 25 | 96.7 Ų | 96.7 | 18% | 0.175 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 0.9 | 179.9 | 92 | 0 | 0 | 0 | 0 | 115.5 | S51 R52 A57 | S51-S55 WeakPolarHBondContact CB-OG 3.49Å; S51-S55 PolarHBondContact OG-OG 3.21Å; R52-S55 WeakPolarHBondContact O-CB 3.39Å; R52-S55 PolarHBondContact O-N 3.42Å; R52-S55 PolarHBondContact O-OG 3.5Å; S55-A57 VanDerWaalsContact C-N 3.3Å; S55-A57 PolarHBondContact O-N 3.37Å |
| 56 | W | 54.4 | Low | 65.9 | Low | 62 Ų | 62 | 98.9 Ų | 98.9 | 24% | 0.235 | 48% | 0.478 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -28.9 | -178.2 | -62.9 | 84.2 | 0 | 0 | 0 | 114 | L49 S51 A58 I68 | L49-W56 HydrophobicContact CB-CH2 3.62Å; L49-W56 HydrophobicContact CB-CZ3 3.62Å; L49-W56 HydrophobicContact CD1-CZ3 4.43Å; L49-W56 HydrophobicContact CD2-CE3 3.49Å; L49-W56 VanDerWaalsContact CD2-CE3 3.49Å; L49-W56 HydrophobicContact CD2-CH2 3.96Å; L49-W56 HydrophobicContact CD2-CZ3 3.07Å; L49-W56 HydrophobicContact CG-CE3 3.75Å; L49-W56 HydrophobicContact CG-CH2 3.45Å; L49-W56 VanDerWaalsContact CG-CH2 3.45Å; L49-W56 HydrophobicContact CG-CZ2 4.4Å; L49-W56 HydrophobicContact CG-CZ3 3.1Å; L49-W56 WeakPolarHBondContact O-CH2 3.18Å; S51-W56 VanDerWaalsContact OG-CD1 3.29Å; S51-W56 PolarHBondContact OG-NE1 3.41Å; W56-A58 VanDerWaalsContact C-N 3.35Å; W56-A58 PolarHBondContact O-N 2.99Å; W56-I68 HydrophobicContact CE3-CG2 3.9Å; W56-I68 HydrophobicContact CZ3-CG2 4.24Å |
| 57 | A | 52.7 | Low | 65.4 | Low | 58 Ų | 58 | 96.6 Ų | 96.6 | 48% | 0.479 | 47% | 0.469 | S | S | . | . | trans | -70 | 94.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | S55 R59 | S55-A57 VanDerWaalsContact C-N 3.3Å; S55-A57 PolarHBondContact O-N 3.37Å; A57-R59 PolarHBondContact O-N 3.03Å | ||
| 58 | A | 54.3 | Low | 65 | Low | 12 Ų | 12 | 94.6 Ų | 94.6 | 10% | 0.099 | 45% | 0.454 | C | S | . | . | trans | -52.2 | 114.6 | 154 | 0 | 0 | 0 | 0 | 0 | 106.6 | R28 W56 N60 | R28-A58 HydrophobicContact CB-CB 3.91Å; R28-A58 WeakPolarHBondContact O-CB 3.4Å; W56-A58 VanDerWaalsContact C-N 3.35Å; W56-A58 PolarHBondContact O-N 2.99Å; A58-N60 PolarHBondContact O-N 3.28Å | ||
| 59 | R | 52.1 | Low | 64.6 | Low | 224 Ų | 224 | 95.3 Ų | 95.3 | 85% | 0.845 | 46% | 0.46 | S | S | * | . | trans | -60.6 | 96.7 | 160.5 | -91.5 | -173.8 | 168 | -178.5 | -3.4 | 104.6 | A57 R61 | A57-R59 PolarHBondContact O-N 3.03Å; R59-R61 PolarHBondContact O-N 3.22Å | ||
| 60 | N | 53.3 | Low | 64.3 | Low | 50 Ų | 50 | 102.5 Ų | 102.5 | 27% | 0.267 | 49% | 0.493 | S | S | . | . | trans | -50.7 | 116.3 | 168.3 | -69.9 | -45.7 | 0 | 0 | 0 | 105.9 | A58 K62 G63 L65 | A58-N60 PolarHBondContact O-N 3.28Å; N60-K62 PolarHBondContact O-N 3.02Å; N60-G63 VanDerWaalsContact CB-N 3.32Å; N60-L65 PolarHBondContact ND2-O 3.44Å; N60-L65 PolarHBondContact OD1-O 3.19Å | ||
| 61 | R | 53.9 | Low | 64.1 | Low | 251 Ų | 251 | 100.8 Ų | 100.8 | 95% | 0.947 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -59.9 | -10.6 | 178.1 | -83.8 | -177.1 | 170.6 | 173.5 | -3 | 111.8 | R59 | R59-R61 PolarHBondContact O-N 3.22Š|
| 62 | K | 58 | Low | 64.6 | Low | 167 Ų | 167 | 101.5 Ų | 101.5 | 73% | 0.726 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -148.4 | 15.2 | 178.4 | -67.6 | -170.4 | 175.6 | -179.6 | 0 | 116.8 | N60 E64 | N60-K62 PolarHBondContact O-N 3.02Å; K62-E64 HydrophobicContact CB-CG 3.92Å; K62-E64 WeakPolarHBondContact CD-OE1 3.09Å; K62-E64 PolarHBondContact O-N 2.9Å; K62-E64 VanDerWaalsContact O-N 3.15Å |
| 63 | G | 60 | Low | 65.1 | Low | 61 Ų | 61 | 95.4 Ų | 95.4 | 63% | 0.629 | 48% | 0.482 | S | S | * | . | S | Bend | trans | 66.7 | 8.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116 | N60 L65 | N60-G63 VanDerWaalsContact CB-N 3.32Å; G63-L65 PolarHBondContact O-N 2.98Å |
| 64 | E | 66.8 | Low | 66.2 | Low | 148 Ų | 148 | 88.7 Ų | 88.7 | 69% | 0.692 | 46% | 0.458 | S | S | * | . | trans | -72.3 | -26.7 | -168.7 | -72 | 169.6 | -173.8 | 0 | 0 | 114.9 | K62 | K62-E64 HydrophobicContact CB-CG 3.92Å; K62-E64 WeakPolarHBondContact CD-OE1 3.09Å; K62-E64 PolarHBondContact O-N 2.9Å; K62-E64 VanDerWaalsContact O-N 3.15Å | ||
| 65 | L | 72.3 | Confident | 67.6 | Low | 45 Ų | 45 | 85.2 Ų | 85.2 | 24% | 0.236 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -139.3 | 138.2 | -175.1 | -66.7 | 172.3 | 0 | 0 | 0 | 111.7 | N30 I32 N60 G63 F80 | N30-L65 HydrophobicContact CB-CB 3.96Å; N30-L65 HydrophobicContact CB-CD1 4.33Å; I32-L65 HydrophobicContact CB-CD1 4.4Å; I32-L65 HydrophobicContact CD1-CD1 3.64Å; I32-L65 HydrophobicContact CD1-CD2 3.53Å; I32-L65 HydrophobicContact CD1-CG 4.25Å; I32-L65 HydrophobicContact CG1-CD1 4.06Å; I32-L65 HydrophobicContact CG1-CD2 4.12Å; N60-L65 PolarHBondContact ND2-O 3.44Å; N60-L65 PolarHBondContact OD1-O 3.19Å; G63-L65 PolarHBondContact O-N 2.98Å; L65-F80 HydrophobicContact CD2-CE2 4.07Å; L65-F80 HydrophobicContact CD2-CZ 4.46Å |
| 66 | P | 73 | Confident | 69.1 | Low | 58 Ų | 58 | 85.2 Ų | 85.2 | 38% | 0.377 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -61 | 134.4 | -179.2 | 24.7 | -32.5 | 0 | 0 | 0 | 111.1 | I31 F80 | I31-P66 HydrophobicContact CG2-CG 3.94Å; I31-P66 PolarHBondContact N-O 2.63Å; P66-F80 HydrophobicContact CG-CD2 3.89Å |
| 67 | P | 75.4 | Confident | 70.6 | Confident | 34 Ų | 34 | 83.4 Ų | 83.4 | 22% | 0.221 | 43% | 0.43 | C | S | . | . | B | Isolated β-bridge | trans | -68.4 | 154.3 | 172.9 | 30.4 | -34 | 0 | 0 | 0 | 109.9 | K69 | P67-K69 PolarHBondContact O-N 3.25Å |
| 68 | I | 78.4 | Confident | 72.2 | Confident | 3 Ų | 3 | 85.8 Ų | 85.8 | 2% | 0.015 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 129.4 | 167.7 | -61.3 | -59.3 | 0 | 0 | 0 | 109 | I31 L34 L49 W56 I73 | I31-I68 HydrophobicContact CB-CD1 3.84Å; I31-I68 HydrophobicContact CD1-CD1 4.44Å; I31-I68 HydrophobicContact CG1-CD1 3.84Å; L34-I68 HydrophobicContact CB-CD1 4.3Å; L34-I68 HydrophobicContact CB-CG1 4.47Å; L34-I68 HydrophobicContact CD2-CD1 3.57Å; L34-I68 HydrophobicContact CD2-CG1 4.03Å; L49-I68 HydrophobicContact CD2-CG2 4.28Å; W56-I68 HydrophobicContact CE3-CG2 3.9Å; W56-I68 HydrophobicContact CZ3-CG2 4.24Å; I68-I73 HydrophobicContact CG2-CD1 3.57Å |
| 69 | K | 75.5 | Confident | 73.8 | Confident | 122 Ų | 122 | 92.2 Ų | 92.2 | 53% | 0.53 | 46% | 0.455 | S | S | . | . | trans | -105.8 | 160.7 | 177.1 | -60 | 173.7 | -171.1 | 167.9 | 0 | 109.7 | P67 G71 Q76 | P67-K69 PolarHBondContact O-N 3.25Å; K69-G71 PolarHBondContact O-N 3.4Å; K69-Q76 PolarHBondContact O-NE2 2.97Å | ||
| 70 | E | 73.3 | Confident | 75.4 | Confident | 177 Ų | 177 | 84.6 Ų | 84.6 | 83% | 0.827 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -61 | 133.4 | 166 | -172.8 | 172.5 | -172.7 | 0 | 0 | 109.6 | ||
| 71 | G | 77.5 | Confident | 77.1 | Confident | 54 Ų | 54 | 88.3 Ų | 88.3 | 56% | 0.557 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 132 | -170.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K69 I73 | K69-G71 PolarHBondContact O-N 3.4Å; G71-I73 PolarHBondContact O-N 2.88Å |
| 72 | C | 82.5 | Confident | 78.6 | Confident | 43 Ų | 43 | 79.5 Ų | 79.5 | 29% | 0.291 | 43% | 0.426 | S | S | . | . | trans | -67.5 | 115.7 | -177.5 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | T74 E75 Q76 | C72-T74 VanDerWaalsContact C-N 3.27Å; C72-T74 PolarHBondContact O-N 2.83Å; C72-E75 HydrophobicContact CB-CB 4.14Å; C72-E75 HydrophobicContact CB-CG 4Å; C72-E75 PolarHBondContact O-N 2.7Å; C72-Q76 WeakPolarHBondContact O-CG 3.48Å; C72-Q76 PolarHBondContact O-N 2.95Å | ||
| 73 | I | 82.3 | Confident | 80 | Confident | 59 Ų | 59 | 76.4 Ų | 76.4 | 30% | 0.303 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 175.8 | -63.3 | -56.5 | 0 | 0 | 0 | 111.1 | L34 I68 G71 E75 Q76 V77 | L34-I73 HydrophobicContact CD2-CD1 3.92Å; L34-I73 HydrophobicContact CD2-CG1 4.32Å; L34-I73 HydrophobicContact CD2-CG2 3.49Å; L34-I73 VanDerWaalsContact CD2-CG2 3.49Å; I68-I73 HydrophobicContact CG2-CD1 3.57Å; G71-I73 PolarHBondContact O-N 2.88Å; I73-E75 VanDerWaalsContact C-N 3.33Å; I73-E75 PolarHBondContact O-N 3.1Å; I73-Q76 PolarHBondContact O-N 2.6Å; I73-V77 HydrophobicContact CG2-CG2 4.15Å; I73-V77 WeakPolarHBondContact O-CG2 3.38Å; I73-V77 PolarHBondContact O-N 2.79Å |
| 74 | T | 83.9 | Confident | 80.4 | Confident | 63 Ų | 63 | 81.4 Ų | 81.4 | 39% | 0.387 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 179.5 | -52.6 | 0 | 0 | 0 | 0 | 112 | C72 V77 R78 | C72-T74 VanDerWaalsContact C-N 3.27Å; C72-T74 PolarHBondContact O-N 2.83Å; T74-V77 PolarHBondContact O-N 2.83Å; T74-R78 WeakPolarHBondContact O-CB 3.48Å; T74-R78 VanDerWaalsContact O-CG 3.32Å; T74-R78 WeakPolarHBondContact O-CG 3.44Å; T74-R78 PolarHBondContact O-N 2.85Å |
| 75 | E | 85.4 | Confident | 79.9 | Confident | 73 Ų | 73 | 77.9 Ų | 77.9 | 34% | 0.341 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 175.5 | -68.2 | -55.6 | 114.4 | 0 | 0 | 111.5 | C72 I73 V77 R78 E79 S85 | C72-E75 HydrophobicContact CB-CB 4.14Å; C72-E75 HydrophobicContact CB-CG 4Å; C72-E75 PolarHBondContact O-N 2.7Å; I73-E75 VanDerWaalsContact C-N 3.33Å; I73-E75 PolarHBondContact O-N 3.1Å; E75-V77 VanDerWaalsContact C-N 3.32Å; E75-V77 PolarHBondContact O-N 3.05Å; E75-R78 WeakPolarHBondContact O-CB 3.33Å; E75-R78 PolarHBondContact O-N 3Å; E75-R78 IonicContact OE1-CZ 3.2Å; E75-R78 IonicContact OE1-NH1 2.75Å; E75-R78 PolarHBondContact OE1-NH1 3.45Å; E75-E79 WeakPolarHBondContact O-CB 2.86Å; E75-E79 PolarHBondContact O-N 2.6Å; E75-S85 PolarHBondContact OE2-OG 3.05Å |
| 76 | Q | 85.4 | Confident | 79.1 | Confident | 25 Ų | 25 | 82.3 Ų | 82.3 | 12% | 0.117 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 175.2 | -68.4 | 177.1 | 64.3 | 0 | 0 | 111.9 | I31 K69 C72 I73 E79 F80 | I31-Q76 VanDerWaalsContact CD1-C 3.4Å; I31-Q76 HydrophobicContact CD1-CB 4.03Å; I31-Q76 WeakPolarHBondContact CD1-O 3.4Å; K69-Q76 PolarHBondContact O-NE2 2.97Å; C72-Q76 WeakPolarHBondContact O-CG 3.48Å; C72-Q76 PolarHBondContact O-N 2.95Å; I73-Q76 PolarHBondContact O-N 2.6Å; Q76-E79 PolarHBondContact O-N 3.47Å; Q76-F80 WeakPolarHBondContact O-CB 3.42Å; Q76-F80 PolarHBondContact O-N 2.75Å |
| 77 | V | 85.7 | Confident | 78 | Confident | 24 Ų | 24 | 89.1 Ų | 89.1 | 15% | 0.145 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -66.8 | -41 | 176.8 | 172 | 0 | 0 | 0 | 0 | 110.7 | I31 I35 I73 T74 E75 F80 Y81 | I31-V77 HydrophobicContact CD1-CB 4.4Å; I31-V77 HydrophobicContact CD1-CG2 3.94Å; I31-V77 HydrophobicContact CG1-CG2 4.1Å; I35-V77 HydrophobicContact CD1-CG1 4.11Å; I35-V77 HydrophobicContact CD1-CG2 4.18Å; I35-V77 HydrophobicContact CG1-CG1 4.32Å; I35-V77 HydrophobicContact CG1-CG2 3.96Å; I73-V77 HydrophobicContact CG2-CG2 4.15Å; I73-V77 WeakPolarHBondContact O-CG2 3.38Å; I73-V77 PolarHBondContact O-N 2.79Å; T74-V77 PolarHBondContact O-N 2.83Å; E75-V77 VanDerWaalsContact C-N 3.32Å; E75-V77 PolarHBondContact O-N 3.05Å; V77-F80 PolarHBondContact O-N 2.82Å; V77-Y81 HydrophobicContact CG1-CD2 3.79Å; V77-Y81 HydrophobicContact CG1-CE2 3.83Å; V77-Y81 VanDerWaalsContact O-CD2 3.24Å; V77-Y81 WeakPolarHBondContact O-CD2 3.36Å; V77-Y81 PolarHBondContact O-N 3.04Å; V77-Y81 VanDerWaalsContact O-N 3.1Å |
| 78 | R | 87.7 | Confident | 76.3 | Confident | 108 Ų | 108 | 90.6 Ų | 90.6 | 41% | 0.408 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.4 | -49.3 | 173.8 | -77.7 | 173.8 | 172.4 | 141.2 | 4.6 | 111.6 | T74 E75 F80 Y81 G82 L83 | T74-R78 WeakPolarHBondContact O-CB 3.48Å; T74-R78 VanDerWaalsContact O-CG 3.32Å; T74-R78 WeakPolarHBondContact O-CG 3.44Å; T74-R78 PolarHBondContact O-N 2.85Å; E75-R78 WeakPolarHBondContact O-CB 3.33Å; E75-R78 PolarHBondContact O-N 3Å; E75-R78 IonicContact OE1-CZ 3.2Å; E75-R78 IonicContact OE1-NH1 2.75Å; E75-R78 PolarHBondContact OE1-NH1 3.45Å; R78-F80 VanDerWaalsContact C-N 3.33Å; R78-F80 PolarHBondContact O-N 3.42Å; R78-Y81 CarbonylContact O-C 3.57Å; R78-Y81 PolarHBondContact O-N 3.22Å; R78-G82 PolarHBondContact O-N 2.86Å; R78-G82 VanDerWaalsContact O-N 3.12Å; R78-L83 HydrophobicContact CB-CB 4.17Å; R78-L83 HydrophobicContact CG-CB 4.35Å; R78-L83 HydrophobicContact CG-CD1 4.32Å; R78-L83 PolarHBondContact O-N 3.12Å |
| 79 | E | 86.6 | Confident | 74.4 | Confident | 148 Ų | 148 | 99.2 Ų | 99.2 | 69% | 0.692 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.6 | -45.3 | 178 | -173.9 | -178.2 | 176.5 | 0 | 0 | 111.3 | E75 Q76 Y81 G82 | E75-E79 WeakPolarHBondContact O-CB 2.86Å; E75-E79 PolarHBondContact O-N 2.6Å; Q76-E79 PolarHBondContact O-N 3.47Å; E79-Y81 VanDerWaalsContact C-N 3.31Å; E79-Y81 PolarHBondContact O-N 3.1Å; E79-G82 PolarHBondContact O-N 2.94Å |
| 80 | F | 87 | Confident | 72.5 | Confident | 63 Ų | 63 | 104.2 Ų | 104.2 | 28% | 0.276 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.2 | -37.8 | 177.8 | 174.3 | -103.8 | 0 | 0 | 0 | 113.6 | I31 I32 I35 L65 P66 Q76 V77 R78 G82 | I31-F80 HydrophobicContact CD1-CB 3.58Å; I31-F80 HydrophobicContact CD1-CG 4.09Å; I31-F80 HydrophobicContact CG1-CB 4.5Å; I31-F80 HydrophobicContact CG2-CB 4.17Å; I31-F80 HydrophobicContact CG2-CD1 3.99Å; I31-F80 HydrophobicContact CG2-CD2 3.32Å; I31-F80 HydrophobicContact CG2-CE1 4.23Å; I31-F80 HydrophobicContact CG2-CE2 3.58Å; I31-F80 HydrophobicContact CG2-CG 3.54Å; I31-F80 HydrophobicContact CG2-CZ 4.04Å; I32-F80 HydrophobicContact CD1-CZ 3.78Å; I32-F80 HydrophobicContact CG1-CE1 4.01Å; I32-F80 HydrophobicContact CG1-CE2 4.2Å; I32-F80 HydrophobicContact CG1-CZ 3.47Å; I32-F80 VanDerWaalsContact CG1-CZ 3.47Å; I35-F80 HydrophobicContact CD1-CD1 4.16Å; I35-F80 HydrophobicContact CD1-CE1 4.35Å; L65-F80 HydrophobicContact CD2-CE2 4.07Å; L65-F80 HydrophobicContact CD2-CZ 4.46Å; P66-F80 HydrophobicContact CG-CD2 3.89Å; Q76-F80 WeakPolarHBondContact O-CB 3.42Å; Q76-F80 PolarHBondContact O-N 2.75Å; V77-F80 PolarHBondContact O-N 2.82Å; R78-F80 VanDerWaalsContact C-N 3.33Å; R78-F80 PolarHBondContact O-N 3.42Å; F80-G82 VanDerWaalsContact C-N 3.28Å |
| 81 | Y | 87.7 | Confident | 70.9 | Confident | 129 Ų | 129 | 97.8 Ų | 97.8 | 51% | 0.506 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 3.6 | 175.4 | -75 | -67.1 | 0 | 0 | 0 | 113.8 | I35 V77 R78 E79 L83 | I35-Y81 HydrophobicContact CD1-CE2 3.69Å; V77-Y81 HydrophobicContact CG1-CD2 3.79Å; V77-Y81 HydrophobicContact CG1-CE2 3.83Å; V77-Y81 VanDerWaalsContact O-CD2 3.24Å; V77-Y81 WeakPolarHBondContact O-CD2 3.36Å; V77-Y81 PolarHBondContact O-N 3.04Å; V77-Y81 VanDerWaalsContact O-N 3.1Å; R78-Y81 CarbonylContact O-C 3.57Å; R78-Y81 PolarHBondContact O-N 3.22Å; E79-Y81 VanDerWaalsContact C-N 3.31Å; E79-Y81 PolarHBondContact O-N 3.1Å; Y81-L83 PolarHBondContact O-N 2.88Å |
| 82 | G | 86.8 | Confident | 69 | Low | 65 Ų | 65 | 101.1 Ų | 101.1 | 67% | 0.67 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 23.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | R78 E79 F80 E84 | R78-G82 PolarHBondContact O-N 2.86Å; R78-G82 VanDerWaalsContact O-N 3.12Å; E79-G82 PolarHBondContact O-N 2.94Å; F80-G82 VanDerWaalsContact C-N 3.28Å; G82-E84 PolarHBondContact O-N 3Å |
| 83 | L | 85.8 | Confident | 66.6 | Low | 102 Ų | 102 | 102.4 Ų | 102.4 | 53% | 0.534 | 54% | 0.543 | S | S | . | . | trans | -76.7 | 122.5 | 178.2 | -60.3 | 177.8 | 0 | 0 | 0 | 109.1 | R78 Y81 S85 | R78-L83 HydrophobicContact CB-CB 4.17Å; R78-L83 HydrophobicContact CG-CB 4.35Å; R78-L83 HydrophobicContact CG-CD1 4.32Å; R78-L83 PolarHBondContact O-N 3.12Å; Y81-L83 PolarHBondContact O-N 2.88Å; L83-S85 PolarHBondContact O-N 3.47Å | ||
| 84 | E | 68.6 | Low | 64.2 | Low | 167 Ų | 167 | 104.4 Ų | 104.4 | 78% | 0.78 | 56% | 0.561 | S | S | * | * | trans | -55.2 | 124.9 | 176.6 | -66.4 | -176.6 | 165.5 | 0 | 0 | 110.5 | G82 K86 | G82-E84 PolarHBondContact O-N 3Å; E84-K86 VanDerWaalsContact C-N 3.31Å; E84-K86 PolarHBondContact O-N 3.37Å | ||
| 85 | S | 57.7 | Low | 61.9 | Low | 73 Ų | 73 | 113 Ų | 113 | 51% | 0.51 | 59% | 0.587 | S | S | . | * | trans | -65.8 | 95.6 | 170.2 | -171.3 | 0 | 0 | 0 | 0 | 107.6 | E75 L83 K87 | E75-S85 PolarHBondContact OE2-OG 3.05Å; L83-S85 PolarHBondContact O-N 3.47Å; S85-K87 PolarHBondContact O-N 2.64Å | ||
| 86 | K | 55.9 | Low | 59.4 | Low | 138 Ų | 138 | 115.8 Ų | 115.8 | 60% | 0.6 | 60% | 0.601 | S | S | * | * | trans | -68.7 | 83.3 | 174.1 | -71.5 | -169.3 | 179 | 179.7 | 0 | 108.6 | E84 G88 | E84-K86 VanDerWaalsContact C-N 3.31Å; E84-K86 PolarHBondContact O-N 3.37Å; K86-G88 PolarHBondContact O-N 3Å | ||
| 87 | K | 48 | Very low | 56.9 | Low | 202 Ų | 202 | 120.1 Ų | 120.1 | 88% | 0.878 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -60.6 | 88.5 | 157.4 | -77.8 | -173.4 | 176.6 | 178.9 | 0 | 107.5 | S85 | S85-K87 PolarHBondContact O-N 2.64Š|
| 88 | G | 40.9 | Very low | 54.6 | Low | 64 Ų | 64 | 126.5 Ų | 126.5 | 66% | 0.66 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 75.6 | 86.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | K86 | K86-G88 PolarHBondContact O-N 3Š|
| 89 | K | 38.7 | Very low | 52.3 | Low | 185 Ų | 185 | 126.4 Ų | 126.4 | 80% | 0.804 | 65% | 0.653 | S | S | * | * | trans | 172.5 | 118.8 | 137.8 | -94.7 | 162.3 | -176.3 | -177.7 | 0 | 109.3 | G91 | K89-G91 PolarHBondContact O-N 3.2Š| ||
| 90 | K | 35.6 | Very low | 50 | Low | 227 Ų | 227 | 124.5 Ų | 124.5 | 99% | 0.987 | 64% | 0.644 | S | S | * | * | trans | -54.6 | 108.5 | 171.6 | -74.9 | 179.3 | 173.5 | 179.5 | 0 | 108.7 | ||||
| 91 | G | 38.9 | Very low | 47.4 | Very low | 41 Ų | 41 | 128.6 Ų | 128.6 | 42% | 0.423 | 67% | 0.669 | S | S | . | * | trans | -129.1 | 153.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | K89 | K89-G91 PolarHBondContact O-N 3.2Š| ||
| 92 | P | 37.2 | Very low | 45 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 81% | 0.812 | 68% | 0.684 | S | S | * | * | trans | -75.4 | 128 | -144.2 | 29 | -34.4 | 0 | 0 | 0 | 113.9 | ||||
| 93 | A | 32.5 | Very low | 42.6 | Very low | 69 Ų | 69 | 135.4 Ų | 135.4 | 57% | 0.57 | 69% | 0.69 | S | S | * | * | 23.4 | 95.2 | 127.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | L97 | A93-L97 VanDerWaalsContact CA-CD1 3.48Å; A93-L97 HydrophobicContact CB-CD1 3.25Å | |||
| 94 | C | 31.9 | Very low | 40.2 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 68% | 0.682 | 70% | 0.7 | S | S | * | * | trans | -178.1 | 113.7 | 152.3 | -128.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 95 | W | 36 | Very low | 38.7 | Very low | 243 Ų | 243 | 136.7 Ų | 136.7 | 92% | 0.92 | 72% | 0.718 | S | S | * | * | S | Bend | cis | -143.3 | 13 | 32.7 | -79.4 | 80.3 | 0 | 0 | 0 | 113.3 | ||
| 96 | M | 33.1 | Very low | 37.8 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | trans | -126.3 | 48.3 | -171.4 | -158.3 | 176.3 | -80.3 | 0 | 0 | 111.3 | W98 L99 | M96-W98 PolarHBondContact O-N 3.23Å; M96-W98 VanDerWaalsContact O-N 3.13Å; M96-L99 HydrophobicContact SD-CD1 4.18Å | ||
| 97 | L | 32.9 | Very low | 36.8 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 61% | 0.607 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 15 | 175.2 | -118.8 | 109.6 | 0 | 0 | 0 | 113.4 | A93 Q100 | A93-L97 VanDerWaalsContact CA-CD1 3.48Å; A93-L97 HydrophobicContact CB-CD1 3.25Å; L97-Q100 WeakPolarHBondContact O-CG 3.38Å |
| 98 | W | 36.4 | Very low | 36.2 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 60% | 0.598 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.4 | 27.2 | -171.9 | -110.2 | 73 | 0 | 0 | 0 | 114.1 | D43 M96 Q100 | D43-W98 WeakPolarHBondContact OD1-CZ3 3.46Å; M96-W98 PolarHBondContact O-N 3.23Å; M96-W98 VanDerWaalsContact O-N 3.13Å; W98-Q100 VanDerWaalsContact CD1-CD 3.49Å; W98-Q100 PolarHBondContact O-N 3.15Å |
| 99 | L | 39.8 | Very low | 35.9 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 56% | 0.56 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -86.9 | 49.5 | 139.5 | -81.8 | 168.2 | 0 | 0 | 0 | 107.5 | M96 D101 | M96-L99 HydrophobicContact SD-CD1 4.18Å; L99-D101 PolarHBondContact O-N 2.92Å |
| 100 | Q | 37.7 | Very low | 35.7 | Very low | 107 Ų | 107 | 138 Ų | 138 | 50% | 0.5 | 73% | 0.727 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.1 | 109.9 | -160.9 | -126.8 | 161.3 | 2.8 | 0 | 0 | 110.3 | L97 W98 | L97-Q100 WeakPolarHBondContact O-CG 3.38Å; W98-Q100 VanDerWaalsContact CD1-CD 3.49Å; W98-Q100 PolarHBondContact O-N 3.15Å |
| 101 | D | 33.1 | Very low | 35.7 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.3 | 41.3 | 159.3 | -61.6 | -29 | 0 | 0 | 0 | 120.3 | L99 | L99-D101 PolarHBondContact O-N 2.92Š|
| 102 | R | 37.6 | Very low | 35.5 | Very low | 214 Ų | 214 | 138.6 Ų | 138.6 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | trans | -141.2 | 129.1 | 149.2 | -69.6 | -157.2 | -142.8 | -138.9 | 13.4 | 115 | V104 | R102-V104 HydrophobicContact CB-CG2 4.46Å; R102-V104 PolarHBondContact O-N 2.96Å | ||
| 103 | P | 35.5 | Very low | 35.4 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 80% | 0.799 | 72% | 0.723 | S | S | * | * | trans | -70 | 113.5 | 154.3 | 30.6 | -26.4 | 0 | 0 | 0 | 107 | ||||
| 104 | V | 35.6 | Very low | 35.6 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 76% | 0.758 | 74% | 0.736 | S | S | * | * | trans | -93.3 | 95.8 | 162.8 | -167.1 | 0 | 0 | 0 | 0 | 105.8 | R102 | R102-V104 HydrophobicContact CB-CG2 4.46Å; R102-V104 PolarHBondContact O-N 2.96Å | ||
| 105 | C | 38 | Very low | 36 | Very low | 170 Ų | 170 | 149.5 Ų | 149.5 | 100% | 1.149 | 74% | 0.741 | S | S | * | * | trans | -131.4 | 0 | 162.1 | -70.5 | 0 | 0 | 0 | 0 | 106.2 |
Retrieved 105 of 105 residues in 42.4 ms
(Link to these results)