| 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 | 45.3 | Very low | 56.1 | Low | 238 Ų | 238 | 114.1 Ų | 114.1 | 100% | 1.172 | 58% | 0.583 | S | S | * | * | 0 | -26.6 | 0 | -85 | 170 | 147.1 | 0 | 0 | 115 | K3 | M1-K3 PolarHBondContact O-N 3.45Š| |||
| 2 | M | 51.3 | Low | 56.9 | Low | 151 Ų | 151 | 113.8 Ų | 113.8 | 74% | 0.744 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -70.8 | -17.7 | -179.5 | -90.2 | 144.4 | 51.7 | 0 | 0 | 117.2 | ||
| 3 | K | 48 | Very low | 57.7 | Low | 161 Ų | 161 | 112.2 Ų | 112.2 | 70% | 0.7 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -73.6 | -29.2 | -178.1 | -68 | -175.5 | 176.8 | -179.3 | 0 | 113.4 | M1 | M1-K3 PolarHBondContact O-N 3.45Å |
| 4 | G | 48.7 | Very low | 58.2 | Low | 30 Ų | 30 | 112.9 Ų | 112.9 | 31% | 0.309 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.9 | -49 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R6 I7 F8 | G4-R6 PolarHBondContact O-N 3.08Å; G4-R6 VanDerWaalsContact O-N 3.13Å; G4-I7 PolarHBondContact O-N 3.09Å; G4-F8 WeakPolarHBondContact O-CB 3.41Å; G4-F8 WeakPolarHBondContact O-CD2 3.34Å; G4-F8 PolarHBondContact O-N 3.25Å |
| 5 | L | 53.1 | Low | 58.6 | Low | 122 Ų | 122 | 111.8 Ų | 111.8 | 64% | 0.639 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -58.4 | -31.9 | -178 | -167.1 | 63.7 | 0 | 0 | 0 | 113.1 | I7 L9 | L5-I7 PolarHBondContact O-N 3.46Å; L5-L9 HydrophobicContact CD1-CD1 4.44Å; L5-L9 WeakPolarHBondContact O-CB 3.33Å; L5-L9 PolarHBondContact O-N 3.04Å; L5-L9 VanDerWaalsContact O-N 3.16Å |
| 6 | R | 57.7 | Low | 58.8 | Low | 90 Ų | 90 | 113.9 Ų | 113.9 | 34% | 0.34 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.5 | -25.7 | 177.9 | -68.8 | -168.6 | -176.6 | 172.5 | 6.4 | 114.6 | G4 P10 C111 C112 | G4-R6 PolarHBondContact O-N 3.08Å; G4-R6 VanDerWaalsContact O-N 3.13Å; R6-P10 WeakPolarHBondContact O-CD 3.33Å; R6-P10 VanDerWaalsContact O-CG 3.29Å; R6-P10 WeakPolarHBondContact O-CG 3.22Å; R6-C111 PolarHBondContact NH1-O 3.16Å; R6-C111 PolarHBondContact NH2-O 3.25Å; R6-C112 PolarHBondContact NH1-SG 3.29Å; R6-C112 VanDerWaalsContact NH1-SG 3.35Å |
| 7 | I | 59.2 | Low | 58.9 | Low | 120 Ų | 120 | 109.1 Ų | 109.1 | 62% | 0.615 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -97.6 | -36.2 | -179.9 | -60.4 | 168.7 | 0 | 0 | 0 | 110 | G4 L5 P10 A11 | G4-I7 PolarHBondContact O-N 3.09Å; L5-I7 PolarHBondContact O-N 3.46Å; I7-P10 VanDerWaalsContact O-CD 3.3Å; I7-P10 WeakPolarHBondContact O-CD 3.31Å; I7-P10 WeakPolarHBondContact O-CG 3.22Å; I7-A11 VanDerWaalsContact O-CB 3.31Å; I7-A11 WeakPolarHBondContact O-CB 3.29Å; I7-A11 PolarHBondContact O-N 3.02Å |
| 8 | F | 58.6 | Low | 58.8 | Low | 152 Ų | 152 | 110 Ų | 110 | 67% | 0.667 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.3 | -37.1 | 177.9 | -84.6 | -76 | 0 | 0 | 0 | 112.6 | G4 L12 | G4-F8 WeakPolarHBondContact O-CB 3.41Å; G4-F8 WeakPolarHBondContact O-CD2 3.34Å; G4-F8 PolarHBondContact O-N 3.25Å; F8-L12 WeakPolarHBondContact O-CB 3.42Å; F8-L12 PolarHBondContact O-N 3.31Å |
| 9 | L | 65.6 | Low | 58.6 | Low | 80 Ų | 80 | 107.6 Ų | 107.6 | 42% | 0.419 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.4 | -51.8 | 179.1 | -140.7 | 91.4 | 0 | 0 | 0 | 113.9 | L5 L12 L13 L104 | L5-L9 HydrophobicContact CD1-CD1 4.44Å; L5-L9 WeakPolarHBondContact O-CB 3.33Å; L5-L9 PolarHBondContact O-N 3.04Å; L5-L9 VanDerWaalsContact O-N 3.16Å; L9-L12 PolarHBondContact O-N 3.34Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 2.86Å; L9-L104 HydrophobicContact CD2-CD2 4.38Å |
| 10 | P | 63.5 | Low | 58.3 | Low | 64 Ų | 64 | 107.1 Ų | 107.1 | 42% | 0.416 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.7 | -33.7 | 178.2 | 26.2 | -34.2 | 0 | 0 | 0 | 112.4 | R6 I7 L13 L14 | R6-P10 WeakPolarHBondContact O-CD 3.33Å; R6-P10 VanDerWaalsContact O-CG 3.29Å; R6-P10 WeakPolarHBondContact O-CG 3.22Å; I7-P10 VanDerWaalsContact O-CD 3.3Å; I7-P10 WeakPolarHBondContact O-CD 3.31Å; I7-P10 WeakPolarHBondContact O-CG 3.22Å; P10-L13 PolarHBondContact O-N 3.34Å; P10-L14 WeakPolarHBondContact O-CB 3.44Å; P10-L14 PolarHBondContact O-N 3.41Å |
| 11 | A | 66 | Low | 58 | Low | 47 Ų | 47 | 107.8 Ų | 107.8 | 39% | 0.388 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.8 | -41.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I7 L14 V15 | I7-A11 VanDerWaalsContact O-CB 3.31Å; I7-A11 WeakPolarHBondContact O-CB 3.29Å; I7-A11 PolarHBondContact O-N 3.02Å; A11-L14 PolarHBondContact O-N 2.87Å; A11-V15 VanDerWaalsContact O-CG2 3.25Å; A11-V15 WeakPolarHBondContact O-CG2 3.31Å; A11-V15 PolarHBondContact O-N 3.27Å |
| 12 | L | 66.2 | Low | 57.9 | Low | 110 Ų | 110 | 103.4 Ų | 103.4 | 58% | 0.576 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.6 | -41.8 | 175.9 | -166.3 | 83.9 | 0 | 0 | 0 | 111.5 | F8 L9 V15 F16 | F8-L12 WeakPolarHBondContact O-CB 3.42Å; F8-L12 PolarHBondContact O-N 3.31Å; L9-L12 PolarHBondContact O-N 3.34Å; L12-V15 PolarHBondContact O-N 3.3Å; L12-F16 WeakPolarHBondContact O-CB 3.35Å; L12-F16 PolarHBondContact O-N 3.41Å |
| 13 | L | 67 | Low | 57.6 | Low | 94 Ų | 94 | 100.3 Ų | 100.3 | 49% | 0.492 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.3 | -38.3 | 176.4 | -72.6 | 171.1 | 0 | 0 | 0 | 112.5 | L9 P10 G17 | L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 2.86Å; P10-L13 PolarHBondContact O-N 3.34Å; L13-G17 PolarHBondContact O-N 3.4Å |
| 14 | L | 65 | Low | 57.4 | Low | 121 Ų | 121 | 101.1 Ų | 101.1 | 63% | 0.634 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.3 | -42.3 | 173.6 | -94.9 | 160.1 | 0 | 0 | 0 | 112 | P10 A11 G17 L18 | P10-L14 WeakPolarHBondContact O-CB 3.44Å; P10-L14 PolarHBondContact O-N 3.41Å; A11-L14 PolarHBondContact O-N 2.87Å; L14-G17 PolarHBondContact O-N 3.35Å; L14-L18 PolarHBondContact O-N 2.95Å |
| 15 | V | 64 | Low | 57.4 | Low | 97 Ų | 97 | 105.2 Ų | 105.2 | 59% | 0.588 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.8 | -42.4 | 177.2 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | A11 L12 L18 A19 | A11-V15 VanDerWaalsContact O-CG2 3.25Å; A11-V15 WeakPolarHBondContact O-CG2 3.31Å; A11-V15 PolarHBondContact O-N 3.27Å; L12-V15 PolarHBondContact O-N 3.3Å; V15-L18 PolarHBondContact O-N 3.18Å; V15-A19 PolarHBondContact O-N 3.4Å; V15-A19 VanDerWaalsContact O-N 3.13Å |
| 16 | F | 61.6 | Low | 57.5 | Low | 145 Ų | 145 | 101.6 Ų | 101.6 | 64% | 0.636 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.2 | -39.7 | 174.9 | -111.1 | -92.8 | 0 | 0 | 0 | 112.3 | L12 L18 A19 T20 | L12-F16 WeakPolarHBondContact O-CB 3.35Å; L12-F16 PolarHBondContact O-N 3.41Å; F16-L18 PolarHBondContact O-N 2.88Å; F16-A19 PolarHBondContact O-N 3.3Å; F16-T20 WeakPolarHBondContact O-CG2 3.41Å; F16-T20 PolarHBondContact O-N 2.82Å; F16-T20 VanDerWaalsContact O-N 3.11Å |
| 17 | G | 60 | Low | 57.2 | Low | 33 Ų | 33 | 102.4 Ų | 102.4 | 34% | 0.34 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.5 | -43.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L13 L14 A19 T20 | L13-G17 PolarHBondContact O-N 3.4Å; L14-G17 PolarHBondContact O-N 3.35Å; G17-A19 VanDerWaalsContact C-N 3.34Å; G17-A19 PolarHBondContact O-N 2.92Å; G17-T20 PolarHBondContact O-N 2.99Å; G17-T20 PolarHBondContact O-OG1 2.89Å |
| 18 | L | 57.2 | Low | 57 | Low | 125 Ų | 125 | 105 Ų | 105 | 65% | 0.654 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.8 | -36.7 | 174.7 | -83.5 | 155.8 | 0 | 0 | 0 | 112.7 | L14 V15 F16 T20 V21 | L14-L18 PolarHBondContact O-N 2.95Å; V15-L18 PolarHBondContact O-N 3.18Å; F16-L18 PolarHBondContact O-N 2.88Å; L18-T20 VanDerWaalsContact C-N 3.34Å; L18-T20 PolarHBondContact O-N 3.32Å; L18-V21 PolarHBondContact O-N 3.14Å |
| 19 | A | 56.1 | Low | 56.9 | Low | 65 Ų | 65 | 105.1 Ų | 105.1 | 54% | 0.537 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.8 | -32.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | V15 F16 G17 V21 L22 | V15-A19 PolarHBondContact O-N 3.4Å; V15-A19 VanDerWaalsContact O-N 3.13Å; F16-A19 PolarHBondContact O-N 3.3Å; G17-A19 VanDerWaalsContact C-N 3.34Å; G17-A19 PolarHBondContact O-N 2.92Å; A19-V21 VanDerWaalsContact C-N 3.32Å; A19-V21 PolarHBondContact O-N 3.46Å; A19-L22 PolarHBondContact O-N 2.96Å |
| 20 | T | 52.8 | Low | 57.2 | Low | 96 Ų | 96 | 104.9 Ų | 104.9 | 59% | 0.589 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.4 | -19.5 | 178.4 | 54.4 | 0 | 0 | 0 | 0 | 114.5 | F16 G17 L18 L22 | F16-T20 WeakPolarHBondContact O-CG2 3.41Å; F16-T20 PolarHBondContact O-N 2.82Å; F16-T20 VanDerWaalsContact O-N 3.11Å; G17-T20 PolarHBondContact O-N 2.99Å; G17-T20 PolarHBondContact O-OG1 2.89Å; L18-T20 VanDerWaalsContact C-N 3.34Å; L18-T20 PolarHBondContact O-N 3.32Å; T20-L22 PolarHBondContact O-N 3.37Å |
| 21 | V | 50.3 | Low | 58.2 | Low | 122 Ų | 122 | 102.1 Ų | 102.1 | 74% | 0.739 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -15.6 | 178.7 | 175.6 | 0 | 0 | 0 | 0 | 112 | L18 A19 A23 | L18-V21 PolarHBondContact O-N 3.14Å; A19-V21 VanDerWaalsContact C-N 3.32Å; A19-V21 PolarHBondContact O-N 3.46Å; V21-A23 VanDerWaalsContact C-N 3.34Å; V21-A23 PolarHBondContact O-N 2.75Å |
| 22 | L | 44.7 | Very low | 59.1 | Low | 146 Ų | 146 | 104 Ų | 104 | 76% | 0.764 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 18.5 | 178.2 | -65.2 | 172.3 | 0 | 0 | 0 | 113.8 | A19 T20 E24 | A19-L22 PolarHBondContact O-N 2.96Å; T20-L22 PolarHBondContact O-N 3.37Å; L22-E24 PolarHBondContact O-N 3.15Å |
| 23 | A | 43.9 | Very low | 60 | Low | 86 Ų | 86 | 103.4 Ų | 103.4 | 71% | 0.711 | 59% | 0.592 | S | S | * | * | trans | -67.1 | 101.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V21 S25 | V21-A23 VanDerWaalsContact C-N 3.34Å; V21-A23 PolarHBondContact O-N 2.75Å; A23-S25 PolarHBondContact O-N 3.01Å | ||
| 24 | E | 45 | Very low | 60.8 | Low | 178 Ų | 178 | 103.2 Ų | 103.2 | 83% | 0.832 | 59% | 0.587 | S | S | * | * | trans | -38.8 | 118.9 | 175 | -161.8 | 105.2 | 166.9 | 0 | 0 | 112.9 | L22 A26 | L22-E24 PolarHBondContact O-N 3.15Å; E24-A26 PolarHBondContact O-N 3.49Å; E24-A26 VanDerWaalsContact O-N 3.14Å | ||
| 25 | S | 48.3 | Very low | 61.9 | Low | 116 Ų | 116 | 100.9 Ų | 100.9 | 81% | 0.811 | 58% | 0.575 | S | S | * | * | trans | -72.3 | 101.7 | 169 | 53.4 | 0 | 0 | 0 | 0 | 109.4 | A23 | A23-S25 PolarHBondContact O-N 3.01Š| ||
| 26 | A | 54.9 | Low | 62.8 | Low | 47 Ų | 47 | 99.1 Ų | 99.1 | 39% | 0.388 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 146.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E24 | E24-A26 PolarHBondContact O-N 3.49Å; E24-A26 VanDerWaalsContact O-N 3.14Å |
| 27 | P | 51.8 | Low | 64.1 | Low | 106 Ų | 106 | 94.8 Ų | 94.8 | 69% | 0.688 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 146.7 | -162.8 | 29 | -35.2 | 0 | 0 | 0 | 113.1 | ||
| 28 | E | 54 | Low | 65.5 | Low | 175 Ų | 175 | 95.3 Ų | 95.3 | 82% | 0.818 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | 139.5 | 174.6 | -61.6 | -170.7 | 138.7 | 0 | 0 | 110.9 | ||
| 29 | H | 56.5 | Low | 67.1 | Low | 155 Ų | 155 | 89.9 Ų | 89.9 | 72% | 0.718 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.1 | 4.9 | 167 | -72.6 | -78.8 | 0 | 0 | 0 | 123 | ||
| 30 | V | 72.7 | Confident | 68.7 | Low | 74 Ų | 74 | 92.4 Ų | 92.4 | 45% | 0.448 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -93.8 | -25.1 | -176.1 | -167.7 | 0 | 0 | 0 | 0 | 115.3 | T33 | V30-T33 PolarHBondContact O-OG1 2.93Š|
| 31 | C | 83.5 | Confident | 70.4 | Confident | 7 Ų | 7 | 91 Ų | 91 | 5% | 0.047 | 52% | 0.523 | C | S | . | . | G | 310 helix | trans | -67.2 | -45.3 | -171.8 | -54 | 0 | 0 | 0 | 0 | 113.7 | T33 K34 C48 C57 | C31-T33 PolarHBondContact O-N 3.08Å; C31-T33 VanDerWaalsContact O-N 3.09Å; C31-K34 WeakPolarHBondContact O-CB 3.38Å; C31-K34 PolarHBondContact O-N 3.44Å; C31-C48 HydrophobicContact CB-CB 3.77Å; C31-C48 WeakPolarHBondContact CB-SG 3.46Å; C31-C48 WeakPolarHBondContact SG-CA 3.3Å; C31-C48 WeakPolarHBondContact SG-CB 3.44Å; C31-C48 CovalentContact SG-SG 2.02Å; C31-C48 PolarHBondContact SG-SG 3.14Å; C31-C57 CarbonylContact C-O 3.57Å; C31-C57 WeakPolarHBondContact O-CB 3.14Å; C31-C57 PolarHBondContact O-SG 3.38Å |
| 32 | E | 86.4 | Confident | 72.3 | Confident | 86 Ų | 86 | 85.3 Ų | 85.3 | 40% | 0.402 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -62.7 | -21.7 | -175.5 | -59.9 | -64.4 | 159.6 | 0 | 0 | 113.5 | K34 N35 C57 V58 T59 | E32-K34 PolarHBondContact O-N 3.49Å; E32-N35 WeakPolarHBondContact O-CB 3.36Å; E32-N35 VanDerWaalsContact O-CG 3.32Å; E32-N35 PolarHBondContact O-N 3.21Å; E32-N35 PolarHBondContact O-ND2 3.22Å; E32-N35 VanDerWaalsContact O-ND2 3.09Å; E32-N35 PolarHBondContact OE2-ND2 3.35Å; E32-C57 WeakPolarHBondContact CA-O 3.33Å; E32-C57 PolarHBondContact N-O 3.1Å; E32-V58 WeakPolarHBondContact OE1-CA 3.09Å; E32-V58 WeakPolarHBondContact OE1-CB 3.14Å; E32-V58 WeakPolarHBondContact OE1-CG1 3.49Å; E32-T59 PolarHBondContact OE1-N 3.39Å |
| 33 | T | 85.4 | Confident | 74.4 | Confident | 97 Ų | 97 | 79 Ų | 79 | 60% | 0.595 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -68.1 | -13.2 | 174.9 | 68.9 | 0 | 0 | 0 | 0 | 113.1 | V30 C31 | V30-T33 PolarHBondContact O-OG1 2.93Å; C31-T33 PolarHBondContact O-N 3.08Å; C31-T33 VanDerWaalsContact O-N 3.09Å |
| 34 | K | 83.1 | Confident | 76.5 | Confident | 91 Ų | 91 | 82.1 Ų | 82.1 | 40% | 0.396 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -104.9 | 18 | 178.8 | -53.7 | -57.7 | 176 | -174 | 0 | 112.2 | C31 E32 G36 T37 C57 | C31-K34 WeakPolarHBondContact O-CB 3.38Å; C31-K34 PolarHBondContact O-N 3.44Å; E32-K34 PolarHBondContact O-N 3.49Å; K34-G36 PolarHBondContact O-N 2.89Å; K34-T37 HydrophobicContact CB-CG2 4.34Å; K34-T37 HydrophobicContact CD-CG2 4.41Å; K34-T37 PolarHBondContact O-N 2.9Å; K34-T37 PolarHBondContact O-OG1 3.4Å; K34-C57 HydrophobicContact CB-CB 4.09Å |
| 35 | N | 87.3 | Confident | 78.3 | Confident | 71 Ų | 71 | 77.1 Ų | 77.1 | 38% | 0.38 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 131.9 | 168.7 | -80.6 | -31.6 | 0 | 0 | 0 | 110.5 | E32 T37 S56 C57 | E32-N35 WeakPolarHBondContact O-CB 3.36Å; E32-N35 VanDerWaalsContact O-CG 3.32Å; E32-N35 PolarHBondContact O-N 3.21Å; E32-N35 PolarHBondContact O-ND2 3.22Å; E32-N35 VanDerWaalsContact O-ND2 3.09Å; E32-N35 PolarHBondContact OE2-ND2 3.35Å; N35-T37 VanDerWaalsContact C-N 3.32Å; N35-T37 PolarHBondContact O-N 3.28Å; N35-S56 VanDerWaalsContact OD1-CA 3.22Å; N35-S56 WeakPolarHBondContact OD1-CA 3.3Å; N35-C57 PolarHBondContact OD1-N 3.17Å; N35-C57 PolarHBondContact OD1-O 3.12Å |
| 36 | G | 83.9 | Confident | 79.9 | Confident | 61 Ų | 61 | 76.4 Ų | 76.4 | 63% | 0.629 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 4.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | K34 K55 | K34-G36 PolarHBondContact O-N 2.89Å; G36-K55 WeakPolarHBondContact CA-O 3.41Å; G36-K55 PolarHBondContact N-O 3.45Å |
| 37 | T | 88.1 | Confident | 81.3 | Confident | 54 Ų | 54 | 76.2 Ų | 76.2 | 33% | 0.331 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -87.6 | -163.1 | 176.3 | 67.9 | 0 | 0 | 0 | 0 | 112.6 | K34 N35 W50 | K34-T37 HydrophobicContact CB-CG2 4.34Å; K34-T37 HydrophobicContact CD-CG2 4.41Å; K34-T37 PolarHBondContact O-N 2.9Å; K34-T37 PolarHBondContact O-OG1 3.4Å; N35-T37 VanDerWaalsContact C-N 3.32Å; N35-T37 PolarHBondContact O-N 3.28Å; T37-W50 WeakPolarHBondContact O-CH2 3.38Å; T37-W50 WeakPolarHBondContact O-CZ2 3.33Å |
| 38 | S | 90.1 | Very high | 83.1 | Confident | 43 Ų | 43 | 71.2 Ų | 71.2 | 30% | 0.301 | 39% | 0.386 | S | S | . | . | trans | -75.7 | 157.7 | 169.1 | 77.7 | 0 | 0 | 0 | 0 | 111.4 | E40 D41 C42 | S38-E40 VanDerWaalsContact C-N 3.32Å; S38-E40 WeakPolarHBondContact CB-OE2 3.48Å; S38-D41 PolarHBondContact O-N 3.01Å; S38-D41 WeakPolarHBondContact OG-CB 3.42Å; S38-D41 PolarHBondContact OG-N 3.24Å; S38-D41 VanDerWaalsContact OG-N 3.13Å; S38-D41 PolarHBondContact OG-OD2 3.38Å; S38-C42 PolarHBondContact O-N 3.37Å | ||
| 39 | C | 90.2 | Very high | 84.8 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 7% | 0.074 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68 | -36.3 | 178.2 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | D41 C42 L43 W50 C82 | C39-D41 VanDerWaalsContact C-N 3.33Å; C39-D41 PolarHBondContact O-N 3.18Å; C39-C42 PolarHBondContact O-N 2.98Å; C39-L43 WeakPolarHBondContact O-CB 3.31Å; C39-L43 VanDerWaalsContact O-CG 3.31Å; C39-L43 WeakPolarHBondContact O-CG 3.21Å; C39-L43 PolarHBondContact O-N 3.45Å; C39-W50 HydrophobicContact CB-CD2 4.42Å; C39-W50 HydrophobicContact CB-CG 4.12Å; C39-C82 HydrophobicContact CB-CB 4.01Å; C39-C82 WeakPolarHBondContact CB-SG 3.37Å; C39-C82 WeakPolarHBondContact SG-CA 3.36Å; C39-C82 WeakPolarHBondContact SG-CB 3.21Å; C39-C82 CovalentContact SG-SG 2.02Å; C39-C82 PolarHBondContact SG-SG 3.33Å |
| 40 | E | 90.4 | Very high | 86.5 | Confident | 118 Ų | 118 | 55.9 Ų | 55.9 | 55% | 0.551 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.1 | -38.7 | 177.2 | -61.5 | 72.6 | -160.3 | 0 | 0 | 111.2 | S38 K44 | S38-E40 VanDerWaalsContact C-N 3.32Å; S38-E40 WeakPolarHBondContact CB-OE2 3.48Å; E40-K44 WeakPolarHBondContact O-CG 3.41Å |
| 41 | D | 88.8 | Confident | 87.4 | Confident | 67 Ų | 67 | 52.4 Ų | 52.4 | 36% | 0.358 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -71.4 | -35.9 | 177.4 | -73 | -47.5 | 0 | 0 | 0 | 112.9 | S38 C39 K44 | S38-D41 PolarHBondContact O-N 3.01Å; S38-D41 WeakPolarHBondContact OG-CB 3.42Å; S38-D41 PolarHBondContact OG-N 3.24Å; S38-D41 VanDerWaalsContact OG-N 3.13Å; S38-D41 PolarHBondContact OG-OD2 3.38Å; C39-D41 VanDerWaalsContact C-N 3.33Å; C39-D41 PolarHBondContact O-N 3.18Å; D41-K44 WeakPolarHBondContact OD1-CE 3.43Å; D41-K44 IonicContact OD1-NZ 2.74Å; D41-K44 PolarHBondContact OD1-NZ 2.97Å |
| 42 | C | 89.4 | Confident | 87.7 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.014 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.8 | -44.7 | 175.7 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | S38 C39 K44 C48 W50 C57 | S38-C42 PolarHBondContact O-N 3.37Å; C39-C42 PolarHBondContact O-N 2.98Å; C42-K44 VanDerWaalsContact C-N 3.25Å; C42-K44 PolarHBondContact O-N 3.27Å; C42-C48 WeakPolarHBondContact O-CB 3.41Å; C42-W50 HydrophobicContact CB-CB 4.3Å; C42-W50 HydrophobicContact CB-CD2 4.21Å; C42-W50 HydrophobicContact CB-CE3 3.57Å; C42-W50 HydrophobicContact CB-CZ3 4.24Å; C42-C57 VanDerWaalsContact CA-SG 3.53Å; C42-C57 HydrophobicContact CB-CB 3.71Å; C42-C57 WeakPolarHBondContact CB-SG 3.48Å; C42-C57 VanDerWaalsContact SG-CA 3.5Å; C42-C57 WeakPolarHBondContact SG-CB 3.44Å; C42-C57 CovalentContact SG-SG 2.02Å; C42-C57 PolarHBondContact SG-SG 3.26Å |
| 43 | L | 88.7 | Confident | 87.9 | Confident | 15 Ų | 15 | 57.9 Ų | 57.9 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 12.7 | -172.5 | -61.6 | 178.1 | 0 | 0 | 0 | 114.2 | C39 N45 C48 W50 R78 C82 | C39-L43 WeakPolarHBondContact O-CB 3.31Å; C39-L43 VanDerWaalsContact O-CG 3.31Å; C39-L43 WeakPolarHBondContact O-CG 3.21Å; C39-L43 PolarHBondContact O-N 3.45Å; L43-N45 PolarHBondContact O-N 3.37Å; L43-C48 WeakPolarHBondContact CD2-O 3.34Å; L43-W50 HydrophobicContact CD1-CB 4.45Å; L43-W50 HydrophobicContact CD2-CB 4.11Å; L43-W50 HydrophobicContact CG-CB 4.2Å; L43-R78 HydrophobicContact CD1-CB 3.84Å; L43-C82 HydrophobicContact CD1-CB 4.24Å |
| 44 | K | 87.1 | Confident | 88.1 | Confident | 151 Ų | 151 | 57.2 Ų | 57.2 | 66% | 0.657 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -31.2 | 169 | -74.9 | 176.9 | 178.9 | 161.7 | 0 | 112.1 | E40 D41 C42 | E40-K44 WeakPolarHBondContact O-CG 3.41Å; D41-K44 WeakPolarHBondContact OD1-CE 3.43Å; D41-K44 IonicContact OD1-NZ 2.74Å; D41-K44 PolarHBondContact OD1-NZ 2.97Å; C42-K44 VanDerWaalsContact C-N 3.25Å; C42-K44 PolarHBondContact O-N 3.27Å |
| 45 | N | 83.6 | Confident | 88.5 | Confident | 72 Ų | 72 | 58.2 Ų | 58.2 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -106.8 | 131.6 | 174.3 | -60 | -61.4 | 0 | 0 | 0 | 109.7 | L43 S47 C48 | L43-N45 PolarHBondContact O-N 3.37Å; N45-S47 PolarHBondContact O-N 3.14Å; N45-C48 PolarHBondContact O-N 3.45Å; N45-C48 VanDerWaalsContact O-N 3.16Å |
| 46 | V | 82.3 | Confident | 88.6 | Confident | 102 Ų | 102 | 56.1 Ų | 56.1 | 62% | 0.618 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -14.7 | 178.6 | -65.5 | 0 | 0 | 0 | 0 | 113.7 | C48 W79 | V46-C48 VanDerWaalsContact C-N 3.31Å; V46-W79 PolarHBondContact O-NE1 3.48Å |
| 47 | S | 85.1 | Confident | 88.9 | Confident | 42 Ų | 42 | 53.2 Ų | 53.2 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -8.9 | 175.2 | -47.3 | 0 | 0 | 0 | 0 | 113.4 | N45 Y60 | N45-S47 PolarHBondContact O-N 3.14Å; S47-Y60 PolarHBondContact O-N 3.23Å |
| 48 | C | 88.4 | Confident | 88.9 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 148.4 | 179.2 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | C31 C42 L43 N45 V46 V58 | C31-C48 HydrophobicContact CB-CB 3.77Å; C31-C48 WeakPolarHBondContact CB-SG 3.46Å; C31-C48 WeakPolarHBondContact SG-CA 3.3Å; C31-C48 WeakPolarHBondContact SG-CB 3.44Å; C31-C48 CovalentContact SG-SG 2.02Å; C31-C48 PolarHBondContact SG-SG 3.14Å; C42-C48 WeakPolarHBondContact O-CB 3.41Å; L43-C48 WeakPolarHBondContact CD2-O 3.34Å; N45-C48 PolarHBondContact O-N 3.45Å; N45-C48 VanDerWaalsContact O-N 3.16Å; V46-C48 VanDerWaalsContact C-N 3.31Å; C48-V58 WeakPolarHBondContact CA-O 3.36Å |
| 49 | L | 89.6 | Confident | 88.8 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 134.3 | 172.7 | 178.3 | 136.8 | 0 | 0 | 0 | 109.9 | C57 V58 Y60 P67 A77 | L49-C57 WeakPolarHBondContact O-CA 3.09Å; L49-V58 HydrophobicContact CB-CG2 4.28Å; L49-V58 HydrophobicContact CD2-CG2 3.93Å; L49-V58 PolarHBondContact N-O 2.88Å; L49-V58 PolarHBondContact O-N 2.88Å; L49-Y60 HydrophobicContact CB-CD2 4.37Å; L49-Y60 HydrophobicContact CB-CG 4.17Å; L49-Y60 HydrophobicContact CD1-CD2 3.86Å; L49-Y60 HydrophobicContact CD1-CE2 4.29Å; L49-Y60 HydrophobicContact CD1-CG 4.1Å; L49-P67 HydrophobicContact CD1-CG 4.17Å; L49-A77 HydrophobicContact CD1-CB 4.49Å |
| 50 | W | 91.5 | Very high | 88.2 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.5 | 179.4 | 178.7 | -103.6 | 0 | 0 | 0 | 110.6 | T37 C39 C42 L43 K55 C57 R78 | T37-W50 WeakPolarHBondContact O-CH2 3.38Å; T37-W50 WeakPolarHBondContact O-CZ2 3.33Å; C39-W50 HydrophobicContact CB-CD2 4.42Å; C39-W50 HydrophobicContact CB-CG 4.12Å; C42-W50 HydrophobicContact CB-CB 4.3Å; C42-W50 HydrophobicContact CB-CD2 4.21Å; C42-W50 HydrophobicContact CB-CE3 3.57Å; C42-W50 HydrophobicContact CB-CZ3 4.24Å; L43-W50 HydrophobicContact CD1-CB 4.45Å; L43-W50 HydrophobicContact CD2-CB 4.11Å; L43-W50 HydrophobicContact CG-CB 4.2Å; W50-K55 VanDerWaalsContact CH2-C 3.48Å; W50-K55 HydrophobicContact CH2-CB 4.08Å; W50-K55 VanDerWaalsContact CH2-O 3.23Å; W50-K55 WeakPolarHBondContact CH2-O 3.16Å; W50-K55 HydrophobicContact CZ2-CB 4.1Å; W50-K55 HydrophobicContact CZ2-CD 3.8Å; W50-K55 WeakPolarHBondContact CZ3-O 3.34Å; W50-C57 HydrophobicContact CE3-CB 3.7Å; W50-C57 HydrophobicContact CZ3-CB 3.86Å; W50-R78 HydrophobicContact CB-CB 4.27Å; W50-R78 PolarHBondContact N-O 3.05Å; W50-R78 PolarHBondContact O-N 2.97Å |
| 51 | C | 92.3 | Very high | 87.2 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.2 | 172.1 | -171.1 | 0 | 0 | 0 | 0 | 110.9 | T54 K55 S56 C72 | C51-T54 VanDerWaalsContact CB-OG1 3.32Å; C51-T54 WeakPolarHBondContact CB-OG1 3.45Å; C51-T54 PolarHBondContact SG-OG1 3.28Å; C51-K55 WeakPolarHBondContact O-CA 3.44Å; C51-K55 PolarHBondContact O-N 2.91Å; C51-S56 PolarHBondContact N-O 2.86Å; C51-S56 PolarHBondContact O-N 3.06Å; C51-C72 VanDerWaalsContact CA-SG 3.52Å; C51-C72 HydrophobicContact CB-CB 3.7Å; C51-C72 WeakPolarHBondContact CB-SG 3.2Å; C51-C72 WeakPolarHBondContact SG-CB 3.42Å; C51-C72 CovalentContact SG-SG 2.04Å; C51-C72 PolarHBondContact SG-SG 3.33Å |
| 52 | I | 90.9 | Very high | 85.9 | Confident | 52 Ų | 52 | 54.6 Ų | 54.6 | 27% | 0.267 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -39.1 | -178.7 | -67.7 | 174.8 | 0 | 0 | 0 | 111.9 | K55 D76 R78 | I52-K55 WeakPolarHBondContact O-CD 3.34Å; I52-K55 VanDerWaalsContact O-CE 3.27Å; I52-K55 WeakPolarHBondContact O-CE 3.31Å; I52-D76 HydrophobicContact CB-CB 4.19Å; I52-D76 WeakPolarHBondContact CG1-O 3.27Å; I52-D76 PolarHBondContact N-O 3.09Å; I52-D76 VanDerWaalsContact N-O 3.08Å; I52-R78 HydrophobicContact CD1-CG 4.02Å; I52-R78 HydrophobicContact CG1-CG 4.24Å |
| 53 | K | 90.3 | Very high | 84.8 | Confident | 155 Ų | 155 | 63.5 Ų | 63.5 | 67% | 0.674 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -45.9 | -175 | -171.9 | 175.2 | -177.5 | -179.4 | 0 | 112.8 | P73 D76 | K53-P73 HydrophobicContact CD-CG 4.26Å; K53-D76 HydrophobicContact CB-CB 4.43Å |
| 54 | T | 89.6 | Confident | 83.8 | Confident | 83 Ų | 83 | 65.9 Ų | 65.9 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -8.5 | -178.1 | 51.8 | 0 | 0 | 0 | 0 | 113.3 | C51 S56 | C51-T54 VanDerWaalsContact CB-OG1 3.32Å; C51-T54 WeakPolarHBondContact CB-OG1 3.45Å; C51-T54 PolarHBondContact SG-OG1 3.28Å; T54-S56 PolarHBondContact O-N 3.17Å; T54-S56 PolarHBondContact OG1-OG 3.5Å |
| 55 | K | 90.5 | Very high | 83.1 | Confident | 112 Ų | 112 | 65.5 Ų | 65.5 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 35.9 | -174.7 | -56.4 | -68 | -178.7 | 177.3 | 0 | 112.7 | G36 W50 C51 I52 | G36-K55 WeakPolarHBondContact CA-O 3.41Å; G36-K55 PolarHBondContact N-O 3.45Å; W50-K55 VanDerWaalsContact CH2-C 3.48Å; W50-K55 HydrophobicContact CH2-CB 4.08Å; W50-K55 VanDerWaalsContact CH2-O 3.23Å; W50-K55 WeakPolarHBondContact CH2-O 3.16Å; W50-K55 HydrophobicContact CZ2-CB 4.1Å; W50-K55 HydrophobicContact CZ2-CD 3.8Å; W50-K55 WeakPolarHBondContact CZ3-O 3.34Å; C51-K55 WeakPolarHBondContact O-CA 3.44Å; C51-K55 PolarHBondContact O-N 2.91Å; I52-K55 WeakPolarHBondContact O-CD 3.34Å; I52-K55 VanDerWaalsContact O-CE 3.27Å; I52-K55 WeakPolarHBondContact O-CE 3.31Å |
| 56 | S | 90.1 | Very high | 82.8 | Confident | 28 Ų | 28 | 66.1 Ų | 66.1 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 134.7 | 179.2 | 58.3 | 0 | 0 | 0 | 0 | 111.4 | N35 C51 T54 | N35-S56 VanDerWaalsContact OD1-CA 3.22Å; N35-S56 WeakPolarHBondContact OD1-CA 3.3Å; C51-S56 PolarHBondContact N-O 2.86Å; C51-S56 PolarHBondContact O-N 3.06Å; T54-S56 PolarHBondContact O-N 3.17Å; T54-S56 PolarHBondContact OG1-OG 3.5Å |
| 57 | C | 90.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 104.5 | 169.6 | -170.9 | 0 | 0 | 0 | 0 | 109 | C31 E32 K34 N35 C42 L49 W50 | C31-C57 CarbonylContact C-O 3.57Å; C31-C57 WeakPolarHBondContact O-CB 3.14Å; C31-C57 PolarHBondContact O-SG 3.38Å; E32-C57 WeakPolarHBondContact CA-O 3.33Å; E32-C57 PolarHBondContact N-O 3.1Å; K34-C57 HydrophobicContact CB-CB 4.09Å; N35-C57 PolarHBondContact OD1-N 3.17Å; N35-C57 PolarHBondContact OD1-O 3.12Å; C42-C57 VanDerWaalsContact CA-SG 3.53Å; C42-C57 HydrophobicContact CB-CB 3.71Å; C42-C57 WeakPolarHBondContact CB-SG 3.48Å; C42-C57 VanDerWaalsContact SG-CA 3.5Å; C42-C57 WeakPolarHBondContact SG-CB 3.44Å; C42-C57 CovalentContact SG-SG 2.02Å; C42-C57 PolarHBondContact SG-SG 3.26Å; L49-C57 WeakPolarHBondContact O-CA 3.09Å; W50-C57 HydrophobicContact CE3-CB 3.7Å; W50-C57 HydrophobicContact CZ3-CB 3.86Å |
| 58 | V | 88.3 | Confident | 82.3 | Confident | 31 Ų | 31 | 62.4 Ų | 62.4 | 19% | 0.188 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 146.7 | -177.4 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | E32 C48 L49 Y60 | E32-V58 WeakPolarHBondContact OE1-CA 3.09Å; E32-V58 WeakPolarHBondContact OE1-CB 3.14Å; E32-V58 WeakPolarHBondContact OE1-CG1 3.49Å; C48-V58 WeakPolarHBondContact CA-O 3.36Å; L49-V58 HydrophobicContact CB-CG2 4.28Å; L49-V58 HydrophobicContact CD2-CG2 3.93Å; L49-V58 PolarHBondContact N-O 2.88Å; L49-V58 PolarHBondContact O-N 2.88Å; V58-Y60 PolarHBondContact O-N 3.48Å |
| 59 | T | 87.8 | Confident | 81.8 | Confident | 57 Ų | 57 | 69.1 Ų | 69.1 | 35% | 0.35 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 116.7 | 168.6 | -51.6 | 0 | 0 | 0 | 0 | 107.2 | E32 P61 | E32-T59 PolarHBondContact OE1-N 3.39Å; T59-P61 VanDerWaalsContact O-CD 3.23Å; T59-P61 WeakPolarHBondContact O-CD 3.38Å |
| 60 | Y | 77.1 | Confident | 81.3 | Confident | 29 Ų | 29 | 74.2 Ų | 74.2 | 11% | 0.114 | 40% | 0.4 | C | S | . | . | trans | -88.6 | 110.4 | -178.4 | -176.6 | -110 | 0 | 0 | 0 | 109.4 | S47 L49 V58 V62 T64 I65 L66 P67 | S47-Y60 PolarHBondContact O-N 3.23Å; L49-Y60 HydrophobicContact CB-CD2 4.37Å; L49-Y60 HydrophobicContact CB-CG 4.17Å; L49-Y60 HydrophobicContact CD1-CD2 3.86Å; L49-Y60 HydrophobicContact CD1-CE2 4.29Å; L49-Y60 HydrophobicContact CD1-CG 4.1Å; V58-Y60 PolarHBondContact O-N 3.48Å; Y60-V62 PolarHBondContact O-N 3.03Å; Y60-T64 PolarHBondContact OH-O 2.87Å; Y60-I65 PolarHBondContact OH-O 2.85Å; Y60-I65 VanDerWaalsContact OH-O 3.06Å; Y60-L66 WeakPolarHBondContact OH-CA 3.15Å; Y60-L66 PolarHBondContact OH-N 2.76Å; Y60-P67 HydrophobicContact CD2-CB 4.29Å; Y60-P67 HydrophobicContact CE2-CB 3.59Å; Y60-P67 HydrophobicContact CE2-CG 4.02Å; Y60-P67 VanDerWaalsContact OH-CD 3.23Å; Y60-P67 WeakPolarHBondContact OH-CD 3.32Å | ||
| 61 | P | 69.2 | Low | 80.8 | Confident | 67 Ų | 67 | 79.2 Ų | 79.2 | 44% | 0.435 | 43% | 0.427 | S | S | . | . | trans | -68.6 | 128.1 | -179.9 | 27.9 | -32.8 | 0 | 0 | 0 | 109.8 | T59 Q63 T64 | T59-P61 VanDerWaalsContact O-CD 3.23Å; T59-P61 WeakPolarHBondContact O-CD 3.38Å; P61-Q63 PolarHBondContact O-N 2.9Å; P61-T64 PolarHBondContact O-N 3.29Å | ||
| 62 | V | 61.8 | Low | 80.5 | Confident | 138 Ų | 138 | 79.2 Ų | 79.2 | 84% | 0.836 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -6.8 | 175.4 | -124.5 | 0 | 0 | 0 | 0 | 113.3 | Y60 T64 | Y60-V62 PolarHBondContact O-N 3.03Å; V62-T64 VanDerWaalsContact C-N 3.34Å |
| 63 | Q | 66.4 | Low | 80.4 | Confident | 188 Ų | 188 | 78.6 Ų | 78.6 | 88% | 0.879 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -26.8 | -179.7 | -59.5 | -161.2 | 45.9 | 0 | 0 | 112.8 | P61 | P61-Q63 PolarHBondContact O-N 2.9Š|
| 64 | T | 67.1 | Low | 80.1 | Confident | 65 Ų | 65 | 72.3 Ų | 72.3 | 40% | 0.399 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -108.5 | 125.9 | 176.2 | 51.4 | 0 | 0 | 0 | 0 | 109.9 | Y60 P61 V62 L66 | Y60-T64 PolarHBondContact OH-O 2.87Å; P61-T64 PolarHBondContact O-N 3.29Å; V62-T64 VanDerWaalsContact C-N 3.34Å; T64-L66 VanDerWaalsContact C-N 3.31Å; T64-L66 PolarHBondContact O-N 3.1Å |
| 65 | I | 71.8 | Confident | 80.1 | Confident | 144 Ų | 144 | 72.2 Ų | 72.2 | 74% | 0.738 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -65.4 | -35 | -176.9 | -56.1 | -63.8 | 0 | 0 | 0 | 111.6 | Y60 | Y60-I65 PolarHBondContact OH-O 2.85Å; Y60-I65 VanDerWaalsContact OH-O 3.06Å |
| 66 | L | 77.3 | Confident | 80 | Confident | 84 Ų | 84 | 69.4 Ų | 69.4 | 44% | 0.44 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -124.7 | 140.2 | 176.5 | -88.5 | 66.5 | 0 | 0 | 0 | 111.4 | Y60 T64 L74 I90 | Y60-L66 WeakPolarHBondContact OH-CA 3.15Å; Y60-L66 PolarHBondContact OH-N 2.76Å; T64-L66 VanDerWaalsContact C-N 3.31Å; T64-L66 PolarHBondContact O-N 3.1Å; L66-L74 HydrophobicContact CD2-CD2 4.33Å; L66-I90 HydrophobicContact CD1-CD1 4.24Å; L66-I90 HydrophobicContact CG-CD1 4.33Å |
| 67 | P | 77.3 | Confident | 80.1 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 3% | 0.032 | 38% | 0.377 | C | S | . | . | trans | -64.2 | 135.7 | 169.7 | 24.2 | -27.5 | 0 | 0 | 0 | 109 | L49 Y60 L74 F86 | L49-P67 HydrophobicContact CD1-CG 4.17Å; Y60-P67 HydrophobicContact CD2-CB 4.29Å; Y60-P67 HydrophobicContact CE2-CB 3.59Å; Y60-P67 HydrophobicContact CE2-CG 4.02Å; Y60-P67 VanDerWaalsContact OH-CD 3.23Å; Y60-P67 WeakPolarHBondContact OH-CD 3.32Å; P67-L74 HydrophobicContact CG-CD1 3.97Å; P67-F86 HydrophobicContact CG-CD1 4.11Å; P67-F86 HydrophobicContact CG-CE1 4.11Å | ||
| 68 | P | 79.7 | Confident | 80.2 | Confident | 61 Ų | 61 | 69.3 Ų | 69.3 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | trans | -62 | 140.5 | 173.8 | 26.1 | -34.8 | 0 | 0 | 0 | 110.6 | S70 L71 | P68-S70 PolarHBondContact O-N 2.92Å; P68-L71 HydrophobicContact CG-CB 4.44Å; P68-L71 HydrophobicContact CG-CD1 3.63Å; P68-L71 HydrophobicContact CG-CG 3.88Å; P68-L71 PolarHBondContact O-N 2.64Å | ||
| 69 | H | 79.6 | Confident | 80.2 | Confident | 142 Ų | 142 | 72.4 Ų | 72.4 | 66% | 0.657 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -21.5 | 179.9 | -74.2 | -80.2 | 0 | 0 | 0 | 114.1 | L71 | H69-L71 VanDerWaalsContact C-N 3.32Š|
| 70 | S | 79.2 | Confident | 80.2 | Confident | 113 Ų | 113 | 71.1 Ų | 71.1 | 79% | 0.79 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -27.7 | 175.9 | 56 | 0 | 0 | 0 | 0 | 113.3 | P68 | P68-S70 PolarHBondContact O-N 2.92Š|
| 71 | L | 79.9 | Confident | 80.7 | Confident | 108 Ų | 108 | 73.7 Ų | 73.7 | 57% | 0.565 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -50.9 | 177.1 | -70.2 | 176 | 0 | 0 | 0 | 111 | P68 H69 | P68-L71 HydrophobicContact CG-CB 4.44Å; P68-L71 HydrophobicContact CG-CD1 3.63Å; P68-L71 HydrophobicContact CG-CG 3.88Å; P68-L71 PolarHBondContact O-N 2.64Å; H69-L71 VanDerWaalsContact C-N 3.32Å |
| 72 | C | 86.1 | Confident | 81.7 | Confident | 2 Ų | 2 | 72.1 Ų | 72.1 | 1% | 0.014 | 39% | 0.394 | C | S | . | . | trans | -155.3 | 138.2 | 176 | -164.5 | 0 | 0 | 0 | 0 | 110.2 | C51 A77 | C51-C72 VanDerWaalsContact CA-SG 3.52Å; C51-C72 HydrophobicContact CB-CB 3.7Å; C51-C72 WeakPolarHBondContact CB-SG 3.2Å; C51-C72 WeakPolarHBondContact SG-CB 3.42Å; C51-C72 CovalentContact SG-SG 2.04Å; C51-C72 PolarHBondContact SG-SG 3.33Å; C72-A77 HydrophobicContact CB-CB 4.43Å | ||
| 73 | P | 88.1 | Confident | 82.9 | Confident | 39 Ų | 39 | 74.6 Ų | 74.6 | 25% | 0.253 | 39% | 0.388 | S | S | . | . | trans | -62.9 | 140.7 | 168.6 | 24.8 | -29.8 | 0 | 0 | 0 | 110.3 | K53 D75 D76 A77 | K53-P73 HydrophobicContact CD-CG 4.26Å; P73-D75 PolarHBondContact O-N 2.95Å; P73-D75 VanDerWaalsContact O-N 3.09Å; P73-D76 HydrophobicContact CG-CB 4.03Å; P73-D76 WeakPolarHBondContact CG-OD2 3.21Å; P73-D76 PolarHBondContact O-N 2.8Å; P73-A77 PolarHBondContact O-N 3.2Å; P73-A77 VanDerWaalsContact O-N 3.07Å | ||
| 74 | L | 85.3 | Confident | 84 | Confident | 22 Ų | 22 | 68.5 Ų | 68.5 | 12% | 0.115 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26.8 | -173.3 | -133.7 | 71.7 | 0 | 0 | 0 | 113.5 | L66 P67 F86 Q87 | L66-L74 HydrophobicContact CD2-CD2 4.33Å; P67-L74 HydrophobicContact CG-CD1 3.97Å; L74-F86 HydrophobicContact CD1-CD1 4.13Å; L74-F86 HydrophobicContact CG-CD1 4.34Å; L74-Q87 HydrophobicContact CB-CB 4.5Å; L74-Q87 HydrophobicContact CD2-CB 4.25Å; L74-Q87 HydrophobicContact CD2-CG 4.38Å; L74-Q87 HydrophobicContact CG-CB 4.44Å |
| 75 | D | 88.1 | Confident | 85.1 | Confident | 82 Ų | 82 | 67.4 Ų | 67.4 | 44% | 0.439 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -28 | 179.1 | -58.8 | -22.4 | 0 | 0 | 0 | 112.6 | P73 R78 N85 Q87 | P73-D75 PolarHBondContact O-N 2.95Å; P73-D75 VanDerWaalsContact O-N 3.09Å; D75-R78 PolarHBondContact O-NH1 2.76Å; D75-N85 PolarHBondContact O-ND2 3.02Å; D75-N85 VanDerWaalsContact O-ND2 3.08Å; D75-N85 PolarHBondContact O-OD1 2.98Å; D75-Q87 PolarHBondContact OD1-OE1 2.78Å |
| 76 | D | 90.3 | Very high | 85.9 | Confident | 53 Ų | 53 | 61 Ų | 61 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -11.2 | 179.9 | -67.2 | -31.8 | 0 | 0 | 0 | 112.8 | I52 K53 P73 | I52-D76 HydrophobicContact CB-CB 4.19Å; I52-D76 WeakPolarHBondContact CG1-O 3.27Å; I52-D76 PolarHBondContact N-O 3.09Å; I52-D76 VanDerWaalsContact N-O 3.08Å; K53-D76 HydrophobicContact CB-CB 4.43Å; P73-D76 HydrophobicContact CG-CB 4.03Å; P73-D76 WeakPolarHBondContact CG-OD2 3.21Å; P73-D76 PolarHBondContact O-N 2.8Å |
| 77 | A | 91.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 138.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L49 C72 P73 F86 | L49-A77 HydrophobicContact CD1-CB 4.49Å; C72-A77 HydrophobicContact CB-CB 4.43Å; P73-A77 PolarHBondContact O-N 3.2Å; P73-A77 VanDerWaalsContact O-N 3.07Å; A77-F86 HydrophobicContact CB-CB 4.01Å; A77-F86 PolarHBondContact O-N 3.15Å |
| 78 | R | 92.1 | Very high | 87.1 | Confident | 26 Ų | 26 | 63.2 Ų | 63.2 | 10% | 0.098 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 136.6 | 177.4 | -59 | -65.6 | -178 | -89.3 | 0.6 | 109.4 | L43 W50 I52 D75 C82 M84 N85 | L43-R78 HydrophobicContact CD1-CB 3.84Å; W50-R78 HydrophobicContact CB-CB 4.27Å; W50-R78 PolarHBondContact N-O 3.05Å; W50-R78 PolarHBondContact O-N 2.97Å; I52-R78 HydrophobicContact CD1-CG 4.02Å; I52-R78 HydrophobicContact CG1-CG 4.24Å; D75-R78 PolarHBondContact O-NH1 2.76Å; R78-C82 VanDerWaalsContact CD-O 3.23Å; R78-C82 WeakPolarHBondContact CD-O 3.22Å; R78-C82 PolarHBondContact NE-O 3.08Å; R78-C82 VanDerWaalsContact NE-O 3.1Å; R78-M84 WeakPolarHBondContact CD-O 3.42Å; R78-N85 VanDerWaalsContact NH1-CG 3.34Å; R78-N85 PolarHBondContact NH1-OD1 3.32Å; R78-N85 PolarHBondContact NH2-OD1 3.15Å |
| 79 | W | 89 | Confident | 87.5 | Confident | 95 Ų | 95 | 61.8 Ų | 61.8 | 36% | 0.36 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 125.3 | -178.4 | 175.8 | 58.7 | 0 | 0 | 0 | 110 | V46 L81 F86 L89 | V46-W79 PolarHBondContact O-NE1 3.48Å; W79-L81 PolarHBondContact O-N 3.47Å; W79-F86 HydrophobicContact CB-CD2 3.67Å; W79-F86 HydrophobicContact CB-CE2 4.04Å; W79-F86 HydrophobicContact CD2-CD2 4.37Å; W79-F86 AromaticContact CD2-CE2 3.94Å; W79-F86 HydrophobicContact CD2-CE2 3.94Å; W79-F86 AromaticContact CE3-CD2 4Å; W79-F86 HydrophobicContact CE3-CD2 4Å; W79-F86 AromaticContact CE3-CE2 3.54Å; W79-F86 HydrophobicContact CE3-CE2 3.54Å; W79-F86 HydrophobicContact CG-CD2 4.29Å; W79-F86 HydrophobicContact CG-CE2 4.18Å; W79-F86 HydrophobicContact CZ3-CE2 4.27Å; W79-L89 HydrophobicContact CE3-CD1 4.25Å; W79-L89 VanDerWaalsContact O-CD1 3.29Å; W79-L89 WeakPolarHBondContact O-CD1 3.28Å |
| 80 | G | 86.7 | Confident | 87.9 | Confident | 31 Ų | 31 | 57.6 Ų | 57.6 | 32% | 0.32 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 65.2 | -32.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 81 | L | 88.8 | Confident | 88.5 | Confident | 83 Ų | 83 | 56.5 Ų | 56.5 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | trans | -135 | 131 | -173.1 | -71.1 | 167.5 | 0 | 0 | 0 | 109.9 | W79 L89 | W79-L81 PolarHBondContact O-N 3.47Å; L81-L89 HydrophobicContact CD1-CD2 4.19Å | ||
| 82 | C | 90.6 | Very high | 89 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 22% | 0.223 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -83.5 | -34 | -177.1 | -168.1 | 0 | 0 | 0 | 0 | 114.5 | C39 L43 R78 M84 | C39-C82 HydrophobicContact CB-CB 4.01Å; C39-C82 WeakPolarHBondContact CB-SG 3.37Å; C39-C82 WeakPolarHBondContact SG-CA 3.36Å; C39-C82 WeakPolarHBondContact SG-CB 3.21Å; C39-C82 CovalentContact SG-SG 2.02Å; C39-C82 PolarHBondContact SG-SG 3.33Å; L43-C82 HydrophobicContact CD1-CB 4.24Å; R78-C82 VanDerWaalsContact CD-O 3.23Å; R78-C82 WeakPolarHBondContact CD-O 3.22Å; R78-C82 PolarHBondContact NE-O 3.08Å; R78-C82 VanDerWaalsContact NE-O 3.1Å; C82-M84 PolarHBondContact O-N 2.57Å |
| 83 | W | 87.1 | Confident | 89.2 | Confident | 190 Ų | 190 | 59.7 Ų | 59.7 | 72% | 0.72 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -67.8 | -18.2 | -178 | 68.2 | -44.9 | 0 | 0 | 0 | 114.4 | ||
| 84 | M | 88.4 | Confident | 89.4 | Confident | 60 Ų | 60 | 61.2 Ų | 61.2 | 30% | 0.296 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -126.5 | 138.6 | -171.9 | -64.7 | -66.4 | 168.8 | 0 | 0 | 112.5 | R78 C82 L89 | R78-M84 WeakPolarHBondContact CD-O 3.42Å; C82-M84 PolarHBondContact O-N 2.57Å; M84-L89 HydrophobicContact CB-CD2 4.46Å |
| 85 | N | 89.5 | Confident | 89.9 | Confident | 42 Ų | 42 | 63.9 Ų | 63.9 | 23% | 0.225 | 33% | 0.334 | C | S | . | . | trans | -69.7 | 150.8 | 179.2 | -52.6 | -1.8 | 0 | 0 | 0 | 111.6 | D75 R78 Q87 T88 L89 | D75-N85 PolarHBondContact O-ND2 3.02Å; D75-N85 VanDerWaalsContact O-ND2 3.08Å; D75-N85 PolarHBondContact O-OD1 2.98Å; R78-N85 VanDerWaalsContact NH1-CG 3.34Å; R78-N85 PolarHBondContact NH1-OD1 3.32Å; R78-N85 PolarHBondContact NH2-OD1 3.15Å; N85-Q87 VanDerWaalsContact C-N 3.26Å; N85-Q87 PolarHBondContact O-N 2.82Å; N85-T88 PolarHBondContact O-N 2.92Å; N85-T88 VanDerWaalsContact O-N 3.12Å; N85-L89 PolarHBondContact O-N 3.42Å; N85-L89 VanDerWaalsContact O-N 3.14Å | ||
| 86 | F | 88.5 | Confident | 90.2 | Very high | 11 Ų | 11 | 65.2 Ų | 65.2 | 5% | 0.048 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.5 | -37.6 | 174.9 | -170.5 | -127.3 | 0 | 0 | 0 | 112.1 | P67 L74 A77 W79 T88 L89 I90 | P67-F86 HydrophobicContact CG-CD1 4.11Å; P67-F86 HydrophobicContact CG-CE1 4.11Å; L74-F86 HydrophobicContact CD1-CD1 4.13Å; L74-F86 HydrophobicContact CG-CD1 4.34Å; A77-F86 HydrophobicContact CB-CB 4.01Å; A77-F86 PolarHBondContact O-N 3.15Å; W79-F86 HydrophobicContact CB-CD2 3.67Å; W79-F86 HydrophobicContact CB-CE2 4.04Å; W79-F86 HydrophobicContact CD2-CD2 4.37Å; W79-F86 AromaticContact CD2-CE2 3.94Å; W79-F86 HydrophobicContact CD2-CE2 3.94Å; W79-F86 AromaticContact CE3-CD2 4Å; W79-F86 HydrophobicContact CE3-CD2 4Å; W79-F86 AromaticContact CE3-CE2 3.54Å; W79-F86 HydrophobicContact CE3-CE2 3.54Å; W79-F86 HydrophobicContact CG-CD2 4.29Å; W79-F86 HydrophobicContact CG-CE2 4.18Å; W79-F86 HydrophobicContact CZ3-CE2 4.27Å; F86-T88 VanDerWaalsContact C-N 3.35Å; F86-T88 PolarHBondContact O-N 2.76Å; F86-L89 HydrophobicContact CD2-CD1 4.46Å; F86-L89 PolarHBondContact O-N 3.45Å; F86-I90 HydrophobicContact CD1-CD1 3.97Å; F86-I90 HydrophobicContact CE1-CD1 3.68Å; F86-I90 HydrophobicContact CE1-CG1 4.47Å; F86-I90 HydrophobicContact CE2-CG1 4.48Å; F86-I90 HydrophobicContact CG-CD1 4.49Å; F86-I90 HydrophobicContact CZ-CD1 3.99Å; F86-I90 HydrophobicContact CZ-CG1 4.35Å; F86-I90 WeakPolarHBondContact O-CG1 3.25Å; F86-I90 PolarHBondContact O-N 3.47Å; F86-I90 VanDerWaalsContact O-N 3.11Å |
| 87 | Q | 89.4 | Confident | 90.3 | Very high | 81 Ų | 81 | 64 Ų | 64 | 38% | 0.379 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.3 | -47 | 173.2 | -170.6 | -169.7 | 44 | 0 | 0 | 112.2 | L74 D75 N85 L89 I90 I91 | L74-Q87 HydrophobicContact CB-CB 4.5Å; L74-Q87 HydrophobicContact CD2-CB 4.25Å; L74-Q87 HydrophobicContact CD2-CG 4.38Å; L74-Q87 HydrophobicContact CG-CB 4.44Å; D75-Q87 PolarHBondContact OD1-OE1 2.78Å; N85-Q87 VanDerWaalsContact C-N 3.26Å; N85-Q87 PolarHBondContact O-N 2.82Å; Q87-L89 VanDerWaalsContact C-N 3.32Å; Q87-L89 PolarHBondContact O-N 3.2Å; Q87-I90 PolarHBondContact O-N 3.37Å; Q87-I91 HydrophobicContact CG-CD1 4.05Å; Q87-I91 WeakPolarHBondContact O-CG1 3.49Å; Q87-I91 PolarHBondContact O-N 2.98Å |
| 88 | T | 90.9 | Very high | 90.4 | Very high | 54 Ų | 54 | 66.1 Ų | 66.1 | 33% | 0.331 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.8 | -40 | 179.5 | -51.7 | 0 | 0 | 0 | 0 | 111.3 | N85 F86 I90 I91 T92 | N85-T88 PolarHBondContact O-N 2.92Å; N85-T88 VanDerWaalsContact O-N 3.12Å; F86-T88 VanDerWaalsContact C-N 3.35Å; F86-T88 PolarHBondContact O-N 2.76Å; T88-I90 VanDerWaalsContact C-N 3.35Å; T88-I90 PolarHBondContact O-N 3.28Å; T88-I91 PolarHBondContact O-N 3.34Å; T88-T92 HydrophobicContact CG2-CG2 4.36Å; T88-T92 VanDerWaalsContact O-CG2 3.29Å; T88-T92 WeakPolarHBondContact O-CG2 3.25Å; T88-T92 PolarHBondContact O-N 3.38Å; T88-T92 PolarHBondContact O-OG1 2.85Å |
| 89 | L | 87.7 | Confident | 90.4 | Very high | 30 Ų | 30 | 69 Ų | 69 | 16% | 0.157 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 176.8 | -65.1 | 174.5 | 0 | 0 | 0 | 112.2 | W79 L81 M84 N85 F86 Q87 T92 L93 | W79-L89 HydrophobicContact CE3-CD1 4.25Å; W79-L89 VanDerWaalsContact O-CD1 3.29Å; W79-L89 WeakPolarHBondContact O-CD1 3.28Å; L81-L89 HydrophobicContact CD1-CD2 4.19Å; M84-L89 HydrophobicContact CB-CD2 4.46Å; N85-L89 PolarHBondContact O-N 3.42Å; N85-L89 VanDerWaalsContact O-N 3.14Å; F86-L89 HydrophobicContact CD2-CD1 4.46Å; F86-L89 PolarHBondContact O-N 3.45Å; Q87-L89 VanDerWaalsContact C-N 3.32Å; Q87-L89 PolarHBondContact O-N 3.2Å; L89-T92 PolarHBondContact O-OG1 3.23Å; L89-L93 VanDerWaalsContact O-CG 3.3Å; L89-L93 WeakPolarHBondContact O-CG 3.31Å; L89-L93 PolarHBondContact O-N 3.29Å; L89-L93 VanDerWaalsContact O-N 3.1Å |
| 90 | I | 88.6 | Confident | 90.4 | Very high | 54 Ų | 54 | 69.6 Ų | 69.6 | 28% | 0.277 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 177.6 | -65.4 | 168.3 | 0 | 0 | 0 | 110.8 | L66 F86 Q87 T88 T92 L93 S94 | L66-I90 HydrophobicContact CD1-CD1 4.24Å; L66-I90 HydrophobicContact CG-CD1 4.33Å; F86-I90 HydrophobicContact CD1-CD1 3.97Å; F86-I90 HydrophobicContact CE1-CD1 3.68Å; F86-I90 HydrophobicContact CE1-CG1 4.47Å; F86-I90 HydrophobicContact CE2-CG1 4.48Å; F86-I90 HydrophobicContact CG-CD1 4.49Å; F86-I90 HydrophobicContact CZ-CD1 3.99Å; F86-I90 HydrophobicContact CZ-CG1 4.35Å; F86-I90 WeakPolarHBondContact O-CG1 3.25Å; F86-I90 PolarHBondContact O-N 3.47Å; F86-I90 VanDerWaalsContact O-N 3.11Å; Q87-I90 PolarHBondContact O-N 3.37Å; T88-I90 VanDerWaalsContact C-N 3.35Å; T88-I90 PolarHBondContact O-N 3.28Å; I90-T92 PolarHBondContact O-N 3.46Å; I90-L93 PolarHBondContact O-N 3.46Å; I90-S94 WeakPolarHBondContact O-CB 3.34Å; I90-S94 PolarHBondContact O-N 2.84Å; I90-S94 PolarHBondContact O-OG 3.42Å |
| 91 | I | 91.5 | Very high | 90.5 | Very high | 91 Ų | 91 | 73.2 Ų | 73.2 | 47% | 0.467 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 179.2 | -66.7 | 167.7 | 0 | 0 | 0 | 110.3 | Q87 T88 L93 S94 V95 | Q87-I91 HydrophobicContact CG-CD1 4.05Å; Q87-I91 WeakPolarHBondContact O-CG1 3.49Å; Q87-I91 PolarHBondContact O-N 2.98Å; T88-I91 PolarHBondContact O-N 3.34Å; I91-L93 PolarHBondContact O-N 3.24Å; I91-S94 PolarHBondContact O-N 2.86Å; I91-V95 HydrophobicContact CG2-CG2 4.28Å; I91-V95 VanDerWaalsContact O-CG2 3.31Å; I91-V95 WeakPolarHBondContact O-CG2 3.31Å; I91-V95 PolarHBondContact O-N 2.95Å |
| 92 | T | 91.3 | Very high | 90.5 | Very high | 63 Ų | 63 | 74.3 Ų | 74.3 | 39% | 0.387 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | -178.9 | 56.4 | 0 | 0 | 0 | 0 | 112 | T88 L89 I90 S94 V95 L96 | T88-T92 HydrophobicContact CG2-CG2 4.36Å; T88-T92 VanDerWaalsContact O-CG2 3.29Å; T88-T92 WeakPolarHBondContact O-CG2 3.25Å; T88-T92 PolarHBondContact O-N 3.38Å; T88-T92 PolarHBondContact O-OG1 2.85Å; L89-T92 PolarHBondContact O-OG1 3.23Å; I90-T92 PolarHBondContact O-N 3.46Å; T92-S94 VanDerWaalsContact C-N 3.32Å; T92-S94 PolarHBondContact O-N 2.84Å; T92-V95 PolarHBondContact O-N 2.89Å; T92-L96 WeakPolarHBondContact O-CB 3.49Å; T92-L96 VanDerWaalsContact O-CG 3.26Å; T92-L96 WeakPolarHBondContact O-CG 3.06Å; T92-L96 PolarHBondContact O-N 3.48Å |
| 93 | L | 90 | Very high | 90 | Very high | 113 Ų | 113 | 75.4 Ų | 75.4 | 59% | 0.592 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.7 | -40.4 | 175.3 | -70.7 | 175 | 0 | 0 | 0 | 112.1 | L89 I90 I91 G97 | L89-L93 VanDerWaalsContact O-CG 3.3Å; L89-L93 WeakPolarHBondContact O-CG 3.31Å; L89-L93 PolarHBondContact O-N 3.29Å; L89-L93 VanDerWaalsContact O-N 3.1Å; I90-L93 PolarHBondContact O-N 3.46Å; I91-L93 PolarHBondContact O-N 3.24Å; L93-G97 PolarHBondContact O-N 3.27Å |
| 94 | S | 92.8 | Very high | 89.8 | Confident | 71 Ų | 71 | 70.3 Ų | 70.3 | 50% | 0.497 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.9 | -45.8 | 178 | -58 | 0 | 0 | 0 | 0 | 111.7 | I90 I91 T92 G97 A98 | I90-S94 WeakPolarHBondContact O-CB 3.34Å; I90-S94 PolarHBondContact O-N 2.84Å; I90-S94 PolarHBondContact O-OG 3.42Å; I91-S94 PolarHBondContact O-N 2.86Å; T92-S94 VanDerWaalsContact C-N 3.32Å; T92-S94 PolarHBondContact O-N 2.84Å; S94-G97 PolarHBondContact O-N 3.28Å; S94-A98 WeakPolarHBondContact O-CB 3.29Å; S94-A98 PolarHBondContact O-N 3.4Å |
| 95 | V | 95.7 | Very high | 89.4 | Confident | 79 Ų | 79 | 72.1 Ų | 72.1 | 48% | 0.479 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.6 | -45.6 | 178.7 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | I91 T92 G97 A98 V99 | I91-V95 HydrophobicContact CG2-CG2 4.28Å; I91-V95 VanDerWaalsContact O-CG2 3.31Å; I91-V95 WeakPolarHBondContact O-CG2 3.31Å; I91-V95 PolarHBondContact O-N 2.95Å; T92-V95 PolarHBondContact O-N 2.89Å; V95-G97 VanDerWaalsContact C-N 3.35Å; V95-G97 PolarHBondContact O-N 3.35Å; V95-A98 PolarHBondContact O-N 2.9Å; V95-V99 HydrophobicContact CG1-CG2 4.32Å; V95-V99 WeakPolarHBondContact O-CB 3.34Å; V95-V99 VanDerWaalsContact O-CG2 3.28Å; V95-V99 WeakPolarHBondContact O-CG2 3.25Å; V95-V99 PolarHBondContact O-N 3.38Å |
| 96 | L | 93.7 | Very high | 89 | Confident | 110 Ų | 110 | 73.9 Ų | 73.9 | 58% | 0.576 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.7 | -45.2 | 176.6 | -72.4 | 172.7 | 0 | 0 | 0 | 111.3 | T92 A98 V99 L100 | T92-L96 WeakPolarHBondContact O-CB 3.49Å; T92-L96 VanDerWaalsContact O-CG 3.26Å; T92-L96 WeakPolarHBondContact O-CG 3.06Å; T92-L96 PolarHBondContact O-N 3.48Å; L96-A98 PolarHBondContact O-N 2.73Å; L96-V99 PolarHBondContact O-N 2.95Å; L96-L100 WeakPolarHBondContact O-CB 3.29Å; L96-L100 VanDerWaalsContact O-CG 3.28Å; L96-L100 WeakPolarHBondContact O-CG 3.28Å; L96-L100 PolarHBondContact O-N 3.44Å |
| 97 | G | 92.6 | Very high | 88.3 | Confident | 28 Ų | 28 | 75.6 Ų | 75.6 | 29% | 0.289 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L93 S94 V95 L100 I101 | L93-G97 PolarHBondContact O-N 3.27Å; S94-G97 PolarHBondContact O-N 3.28Å; V95-G97 VanDerWaalsContact C-N 3.35Å; V95-G97 PolarHBondContact O-N 3.35Å; G97-L100 PolarHBondContact O-N 2.88Å; G97-I101 VanDerWaalsContact O-CG1 3.25Å; G97-I101 WeakPolarHBondContact O-CG1 3.3Å; G97-I101 PolarHBondContact O-N 3.45Å |
| 98 | A | 93.5 | Very high | 87.3 | Confident | 44 Ų | 44 | 77.1 Ų | 77.1 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S94 V95 L96 L100 I101 I102 | S94-A98 WeakPolarHBondContact O-CB 3.29Å; S94-A98 PolarHBondContact O-N 3.4Å; V95-A98 PolarHBondContact O-N 2.9Å; L96-A98 PolarHBondContact O-N 2.73Å; A98-L100 VanDerWaalsContact C-N 3.34Å; A98-L100 PolarHBondContact O-N 2.88Å; A98-I101 PolarHBondContact O-N 3.49Å; A98-I102 WeakPolarHBondContact O-CB 3.26Å; A98-I102 WeakPolarHBondContact O-CG1 3.38Å; A98-I102 PolarHBondContact O-N 3.39Å |
| 99 | V | 92.3 | Very high | 86.1 | Confident | 85 Ų | 85 | 80 Ų | 80 | 52% | 0.515 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 177.8 | 171 | 0 | 0 | 0 | 0 | 110.9 | V95 L96 I102 A103 | V95-V99 HydrophobicContact CG1-CG2 4.32Å; V95-V99 WeakPolarHBondContact O-CB 3.34Å; V95-V99 VanDerWaalsContact O-CG2 3.28Å; V95-V99 WeakPolarHBondContact O-CG2 3.25Å; V95-V99 PolarHBondContact O-N 3.38Å; L96-V99 PolarHBondContact O-N 2.95Å; V99-I102 PolarHBondContact O-N 3.35Å; V99-A103 VanDerWaalsContact O-CB 3.25Å; V99-A103 WeakPolarHBondContact O-CB 3.37Å; V99-A103 PolarHBondContact O-N 3.04Å |
| 100 | L | 88.8 | Confident | 85 | Confident | 108 Ų | 108 | 81.9 Ų | 81.9 | 57% | 0.565 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.8 | -45.2 | 176 | -71.2 | 173 | 0 | 0 | 0 | 111.7 | L96 G97 A98 A103 L104 | L96-L100 WeakPolarHBondContact O-CB 3.29Å; L96-L100 VanDerWaalsContact O-CG 3.28Å; L96-L100 WeakPolarHBondContact O-CG 3.28Å; L96-L100 PolarHBondContact O-N 3.44Å; G97-L100 PolarHBondContact O-N 2.88Å; A98-L100 VanDerWaalsContact C-N 3.34Å; A98-L100 PolarHBondContact O-N 2.88Å; L100-A103 PolarHBondContact O-N 2.98Å; L100-L104 VanDerWaalsContact O-CG 3.31Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 3.26Å |
| 101 | I | 88.3 | Confident | 83.8 | Confident | 108 Ų | 108 | 82 Ų | 82 | 55% | 0.554 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.5 | -47 | 177.5 | -67.5 | 164.5 | 0 | 0 | 0 | 110.5 | G97 A98 A103 L104 M105 | G97-I101 VanDerWaalsContact O-CG1 3.25Å; G97-I101 WeakPolarHBondContact O-CG1 3.3Å; G97-I101 PolarHBondContact O-N 3.45Å; A98-I101 PolarHBondContact O-N 3.49Å; I101-A103 VanDerWaalsContact C-N 3.35Å; I101-A103 PolarHBondContact O-N 3.06Å; I101-L104 PolarHBondContact O-N 3Å; I101-M105 HydrophobicContact CG2-CG 4.25Å; I101-M105 WeakPolarHBondContact O-CB 3.16Å; I101-M105 WeakPolarHBondContact O-CG 3.2Å; I101-M105 PolarHBondContact O-N 3.13Å |
| 102 | I | 88.6 | Confident | 82.2 | Confident | 106 Ų | 106 | 79.9 Ų | 79.9 | 54% | 0.544 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 178.6 | -67.7 | 165 | 0 | 0 | 0 | 110.4 | A98 V99 L104 M105 V106 | A98-I102 WeakPolarHBondContact O-CB 3.26Å; A98-I102 WeakPolarHBondContact O-CG1 3.38Å; A98-I102 PolarHBondContact O-N 3.39Å; V99-I102 PolarHBondContact O-N 3.35Å; I102-L104 VanDerWaalsContact C-N 3.32Å; I102-L104 PolarHBondContact O-N 3.43Å; I102-M105 PolarHBondContact O-N 3.47Å; I102-V106 HydrophobicContact CG2-CG2 4.27Å; I102-V106 WeakPolarHBondContact O-CB 3.48Å; I102-V106 WeakPolarHBondContact O-CG2 3.31Å; I102-V106 PolarHBondContact O-N 2.92Å |
| 103 | A | 81.9 | Confident | 80.3 | Confident | 56 Ų | 56 | 83.2 Ų | 83.2 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | V99 L100 I101 C107 | V99-A103 VanDerWaalsContact O-CB 3.25Å; V99-A103 WeakPolarHBondContact O-CB 3.37Å; V99-A103 PolarHBondContact O-N 3.04Å; L100-A103 PolarHBondContact O-N 2.98Å; I101-A103 VanDerWaalsContact C-N 3.35Å; I101-A103 PolarHBondContact O-N 3.06Å; A103-C107 VanDerWaalsContact O-CB 3.25Å; A103-C107 WeakPolarHBondContact O-CB 3.42Å; A103-C107 PolarHBondContact O-N 3.34Å |
| 104 | L | 81.9 | Confident | 78.1 | Confident | 82 Ų | 82 | 81.6 Ų | 81.6 | 43% | 0.429 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.4 | -45 | 174.4 | -71.8 | 176.2 | 0 | 0 | 0 | 111.8 | L9 L100 I101 I102 C107 M108 | L9-L104 HydrophobicContact CD2-CD2 4.38Å; L100-L104 VanDerWaalsContact O-CG 3.31Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 3.26Å; I101-L104 PolarHBondContact O-N 3Å; I102-L104 VanDerWaalsContact C-N 3.32Å; I102-L104 PolarHBondContact O-N 3.43Å; L104-C107 PolarHBondContact O-N 3.5Å; L104-M108 WeakPolarHBondContact O-CB 3.19Å; L104-M108 VanDerWaalsContact O-CG 3.22Å; L104-M108 WeakPolarHBondContact O-CG 3.31Å; L104-M108 PolarHBondContact O-N 3.1Å |
| 105 | M | 80.1 | Confident | 76.1 | Confident | 99 Ų | 99 | 83.9 Ų | 83.9 | 49% | 0.488 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.4 | -50 | 177 | -68 | -66.6 | -82.1 | 0 | 0 | 110.2 | I101 I102 C107 M108 F109 | I101-M105 HydrophobicContact CG2-CG 4.25Å; I101-M105 WeakPolarHBondContact O-CB 3.16Å; I101-M105 WeakPolarHBondContact O-CG 3.2Å; I101-M105 PolarHBondContact O-N 3.13Å; I102-M105 PolarHBondContact O-N 3.47Å; M105-C107 VanDerWaalsContact C-N 3.33Å; M105-C107 PolarHBondContact O-N 2.96Å; M105-M108 PolarHBondContact O-N 3.49Å; M105-F109 HydrophobicContact CB-CD2 4.26Å; M105-F109 HydrophobicContact CE-CD2 4.1Å; M105-F109 HydrophobicContact CE-CE2 3.34Å; M105-F109 HydrophobicContact CE-CZ 4.16Å; M105-F109 WeakPolarHBondContact O-CB 3.23Å; M105-F109 WeakPolarHBondContact O-CD2 3.25Å; M105-F109 PolarHBondContact O-N 3.26Å; M105-F109 HydrophobicContact SD-CD2 4.32Å; M105-F109 HydrophobicContact SD-CE2 3.73Å |
| 106 | V | 81.2 | Confident | 73.8 | Confident | 78 Ų | 78 | 85.6 Ų | 85.6 | 47% | 0.473 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 176.2 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | I102 M108 C110 | I102-V106 HydrophobicContact CG2-CG2 4.27Å; I102-V106 WeakPolarHBondContact O-CB 3.48Å; I102-V106 WeakPolarHBondContact O-CG2 3.31Å; I102-V106 PolarHBondContact O-N 2.92Å; V106-M108 PolarHBondContact O-N 3.44Å; V106-C110 HydrophobicContact CG1-CB 4.32Å; V106-C110 WeakPolarHBondContact O-CA 3.43Å; V106-C110 WeakPolarHBondContact O-CB 3.01Å; V106-C110 PolarHBondContact O-N 2.91Å |
| 107 | C | 73.2 | Confident | 71.7 | Confident | 48 Ų | 48 | 89.3 Ų | 89.3 | 32% | 0.324 | 49% | 0.492 | S | S | . | . | I | π-helix | trans | -61.4 | -44.1 | 176.4 | -173.7 | 0 | 0 | 0 | 0 | 112.1 | A103 L104 M105 C111 C112 | A103-C107 VanDerWaalsContact O-CB 3.25Å; A103-C107 WeakPolarHBondContact O-CB 3.42Å; A103-C107 PolarHBondContact O-N 3.34Å; L104-C107 PolarHBondContact O-N 3.5Å; M105-C107 VanDerWaalsContact C-N 3.33Å; M105-C107 PolarHBondContact O-N 2.96Å; C107-C111 VanDerWaalsContact O-CA 3.32Å; C107-C111 WeakPolarHBondContact O-CA 3.39Å; C107-C111 WeakPolarHBondContact O-CB 3.47Å; C107-C111 PolarHBondContact O-N 3.49Å; C107-C112 PolarHBondContact O-N 2.95Å |
| 108 | M | 68.9 | Low | 69.9 | Low | 113 Ų | 113 | 90.2 Ų | 90.2 | 56% | 0.557 | 50% | 0.501 | S | S | * | . | I | π-helix | trans | -70.8 | -42.8 | 179.9 | -68.9 | -61.5 | -71.7 | 0 | 0 | 112.3 | L104 M105 V106 C112 K113 | L104-M108 WeakPolarHBondContact O-CB 3.19Å; L104-M108 VanDerWaalsContact O-CG 3.22Å; L104-M108 WeakPolarHBondContact O-CG 3.31Å; L104-M108 PolarHBondContact O-N 3.1Å; M105-M108 PolarHBondContact O-N 3.49Å; V106-M108 PolarHBondContact O-N 3.44Å; M108-C112 WeakPolarHBondContact O-CB 3.3Å; M108-C112 PolarHBondContact O-N 3.41Å; M108-K113 PolarHBondContact O-N 3.46Å |
| 109 | F | 64.6 | Low | 68.4 | Low | 115 Ų | 115 | 90 Ų | 90 | 50% | 0.504 | 50% | 0.497 | S | S | . | . | I | π-helix | trans | -81.6 | -36.3 | -177.7 | -74.3 | -77.8 | 0 | 0 | 0 | 112.8 | M105 K113 | M105-F109 HydrophobicContact CB-CD2 4.26Å; M105-F109 HydrophobicContact CE-CD2 4.1Å; M105-F109 HydrophobicContact CE-CE2 3.34Å; M105-F109 HydrophobicContact CE-CZ 4.16Å; M105-F109 WeakPolarHBondContact O-CB 3.23Å; M105-F109 WeakPolarHBondContact O-CD2 3.25Å; M105-F109 PolarHBondContact O-N 3.26Å; M105-F109 HydrophobicContact SD-CD2 4.32Å; M105-F109 HydrophobicContact SD-CE2 3.73Å; F109-K113 HydrophobicContact CD1-CD 4.45Å; F109-K113 WeakPolarHBondContact O-CB 3.48Å |
| 110 | C | 64.7 | Low | 67.1 | Low | 69 Ų | 69 | 91.5 Ų | 91.5 | 47% | 0.466 | 50% | 0.498 | S | S | . | . | I | π-helix | trans | -94 | -25 | -178.3 | -56.6 | 0 | 0 | 0 | 0 | 113.6 | V106 C114 | V106-C110 HydrophobicContact CG1-CB 4.32Å; V106-C110 WeakPolarHBondContact O-CA 3.43Å; V106-C110 WeakPolarHBondContact O-CB 3.01Å; V106-C110 PolarHBondContact O-N 2.91Å; C110-C114 WeakPolarHBondContact O-CB 3.02Å; C110-C114 PolarHBondContact O-SG 2.85Å |
| 111 | C | 63.9 | Low | 66.2 | Low | 55 Ų | 55 | 95.3 Ų | 95.3 | 37% | 0.372 | 51% | 0.505 | S | S | . | . | I | π-helix | trans | -112.1 | -15.1 | -178.2 | -45.5 | 0 | 0 | 0 | 0 | 114.6 | R6 C107 | R6-C111 PolarHBondContact NH1-O 3.16Å; R6-C111 PolarHBondContact NH2-O 3.25Å; C107-C111 VanDerWaalsContact O-CA 3.32Å; C107-C111 WeakPolarHBondContact O-CA 3.39Å; C107-C111 WeakPolarHBondContact O-CB 3.47Å; C107-C111 PolarHBondContact O-N 3.49Å |
| 112 | C | 58.6 | Low | 65.5 | Low | 47 Ų | 47 | 96.4 Ų | 96.4 | 32% | 0.318 | 51% | 0.506 | S | S | . | . | I | π-helix | trans | -104 | -24.1 | 171.5 | -53.8 | 0 | 0 | 0 | 0 | 113.1 | R6 C107 M108 | R6-C112 PolarHBondContact NH1-SG 3.29Å; R6-C112 VanDerWaalsContact NH1-SG 3.35Å; C107-C112 PolarHBondContact O-N 2.95Å; M108-C112 WeakPolarHBondContact O-CB 3.3Å; M108-C112 PolarHBondContact O-N 3.41Å |
| 113 | K | 50 | Low | 65.1 | Low | 134 Ų | 134 | 96.6 Ų | 96.6 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -92 | -29.2 | 176.7 | -145.1 | -178.8 | 174.5 | 82.6 | 0 | 113.5 | M108 F109 E115 N116 F117 | M108-K113 PolarHBondContact O-N 3.46Å; F109-K113 HydrophobicContact CD1-CD 4.45Å; F109-K113 WeakPolarHBondContact O-CB 3.48Å; K113-E115 VanDerWaalsContact C-N 3.34Å; K113-E115 PolarHBondContact O-N 2.93Å; K113-N116 PolarHBondContact O-N 3Å; K113-F117 PolarHBondContact O-N 3.26Å |
| 114 | C | 44.5 | Very low | 65.2 | Low | 79 Ų | 79 | 96 Ų | 96 | 53% | 0.534 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -76.2 | -17.2 | 179.6 | -62.1 | 0 | 0 | 0 | 0 | 114.2 | C110 N116 | C110-C114 WeakPolarHBondContact O-CB 3.02Å; C110-C114 PolarHBondContact O-SG 2.85Å; C114-N116 VanDerWaalsContact C-N 3.25Å; C114-N116 PolarHBondContact O-N 3.39Å |
| 115 | E | 51 | Low | 65.4 | Low | 118 Ų | 118 | 97.7 Ų | 97.7 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.2 | -25.3 | 172.1 | -160.1 | 171.4 | 152.8 | 0 | 0 | 111.4 | K113 S119 | K113-E115 VanDerWaalsContact C-N 3.34Å; K113-E115 PolarHBondContact O-N 2.93Å; E115-S119 WeakPolarHBondContact O-CB 2.97Å; E115-S119 PolarHBondContact O-OG 3.4Å |
| 116 | N | 48.1 | Very low | 65.7 | Low | 116 Ų | 116 | 98.1 Ų | 98.1 | 62% | 0.62 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -99.4 | -22.7 | -178.8 | -82 | -28.5 | 0 | 0 | 0 | 114.7 | K113 C114 | K113-N116 PolarHBondContact O-N 3Å; C114-N116 VanDerWaalsContact C-N 3.25Å; C114-N116 PolarHBondContact O-N 3.39Å |
| 117 | F | 49.2 | Very low | 66.1 | Low | 188 Ų | 188 | 100.5 Ų | 100.5 | 83% | 0.825 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -88.6 | -19.2 | -170.4 | -151.4 | -101.5 | 0 | 0 | 0 | 114.5 | K113 | K113-F117 PolarHBondContact O-N 3.26Å |
| 118 | G | 54.3 | Low | 66.9 | Low | 46 Ų | 46 | 107 Ų | 107 | 47% | 0.474 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -122.5 | -31.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 119 | S | 61.8 | Low | 67.9 | Low | 39 Ų | 39 | 108 Ų | 108 | 27% | 0.273 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.5 | -47.6 | -175.4 | 61.2 | 0 | 0 | 0 | 0 | 111.9 | E115 R121 F122 E123 | E115-S119 WeakPolarHBondContact O-CB 2.97Å; E115-S119 PolarHBondContact O-OG 3.4Å; S119-R121 VanDerWaalsContact C-N 3.31Å; S119-R121 PolarHBondContact O-N 2.93Å; S119-F122 CarbonylContact O-C 3.4Å; S119-F122 PolarHBondContact O-N 3.37Å; S119-E123 WeakPolarHBondContact O-CB 3.32Å; S119-E123 WeakPolarHBondContact O-CG 3.5Å; S119-E123 PolarHBondContact O-N 2.74Å |
| 120 | Q | 64.8 | Low | 69.3 | Low | 117 Ų | 117 | 105.1 Ų | 105.1 | 55% | 0.547 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -55.1 | -43 | -174.9 | -71.3 | -78.3 | 12.9 | 0 | 0 | 112.7 | A124 | Q120-A124 WeakPolarHBondContact O-CB 3.29Å; Q120-A124 PolarHBondContact O-N 3Å |
| 121 | R | 70.6 | Confident | 70.6 | Confident | 189 Ų | 189 | 106 Ų | 106 | 71% | 0.713 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -71.9 | -34.5 | 179.3 | -168.4 | 178.1 | -172.7 | -167.8 | 3.1 | 112.1 | S119 K125 | S119-R121 VanDerWaalsContact C-N 3.31Å; S119-R121 PolarHBondContact O-N 2.93Å; R121-K125 VanDerWaalsContact O-CG 3.3Å; R121-K125 WeakPolarHBondContact O-CG 3.27Å; R121-K125 PolarHBondContact O-N 3.08Å |
| 122 | F | 74.3 | Confident | 72.1 | Confident | 131 Ų | 131 | 110.2 Ų | 110.2 | 58% | 0.575 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74.7 | -45.2 | 177.8 | -179.4 | -99.6 | 0 | 0 | 0 | 111.4 | S119 K125 M126 | S119-F122 CarbonylContact O-C 3.4Å; S119-F122 PolarHBondContact O-N 3.37Å; F122-K125 WeakPolarHBondContact O-CB 3.23Å; F122-K125 PolarHBondContact O-N 3.09Å; F122-M126 HydrophobicContact CE1-CE 3.79Å; F122-M126 HydrophobicContact CZ-CE 3.99Å; F122-M126 PolarHBondContact O-N 2.92Å |
| 123 | E | 79.5 | Confident | 73.6 | Confident | 110 Ų | 110 | 111.6 Ų | 111.6 | 51% | 0.514 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 174.6 | -73.8 | -177.6 | 168.6 | 0 | 0 | 111.4 | S119 K125 M126 Q127 | S119-E123 WeakPolarHBondContact O-CB 3.32Å; S119-E123 WeakPolarHBondContact O-CG 3.5Å; S119-E123 PolarHBondContact O-N 2.74Å; E123-K125 VanDerWaalsContact C-N 3.26Å; E123-K125 PolarHBondContact O-N 3.07Å; E123-M126 PolarHBondContact O-N 3.11Å; E123-M126 VanDerWaalsContact O-N 3.14Å; E123-Q127 WeakPolarHBondContact O-CB 3.36Å; E123-Q127 PolarHBondContact O-N 3.47Å |
| 124 | A | 83.9 | Confident | 75.8 | Confident | 43 Ų | 43 | 111 Ų | 111 | 36% | 0.355 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.7 | -35.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q120 R128 | Q120-A124 WeakPolarHBondContact O-CB 3.29Å; Q120-A124 PolarHBondContact O-N 3Å; A124-R128 WeakPolarHBondContact O-CB 2.83Å; A124-R128 VanDerWaalsContact O-CG 3.22Å; A124-R128 WeakPolarHBondContact O-CG 3.23Å; A124-R128 PolarHBondContact O-N 3.14Å; A124-R128 VanDerWaalsContact O-N 3.14Å |
| 125 | K | 85.3 | Confident | 78.2 | Confident | 118 Ų | 118 | 110.8 Ų | 110.8 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.8 | -45.2 | 173.8 | -79 | 177.9 | 178.2 | -176.2 | 0 | 111.6 | R121 F122 E123 R128 Q129 | R121-K125 VanDerWaalsContact O-CG 3.3Å; R121-K125 WeakPolarHBondContact O-CG 3.27Å; R121-K125 PolarHBondContact O-N 3.08Å; F122-K125 WeakPolarHBondContact O-CB 3.23Å; F122-K125 PolarHBondContact O-N 3.09Å; E123-K125 VanDerWaalsContact C-N 3.26Å; E123-K125 PolarHBondContact O-N 3.07Å; K125-R128 PolarHBondContact O-N 3.42Å; K125-Q129 PolarHBondContact O-N 3.34Å |
| 126 | M | 87.4 | Confident | 80.3 | Confident | 108 Ų | 108 | 111.4 Ų | 111.4 | 53% | 0.532 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 178.6 | -176.1 | 179.8 | -87.6 | 0 | 0 | 111.2 | F122 E123 R128 Q129 A130 | F122-M126 HydrophobicContact CE1-CE 3.79Å; F122-M126 HydrophobicContact CZ-CE 3.99Å; F122-M126 PolarHBondContact O-N 2.92Å; E123-M126 PolarHBondContact O-N 3.11Å; E123-M126 VanDerWaalsContact O-N 3.14Å; M126-R128 PolarHBondContact O-N 3.12Å; M126-Q129 PolarHBondContact O-N 3.21Å; M126-Q129 VanDerWaalsContact O-N 3.17Å; M126-A130 WeakPolarHBondContact O-CB 3.44Å; M126-A130 PolarHBondContact O-N 3.39Å |
| 127 | Q | 89.1 | Confident | 82.5 | Confident | 128 Ų | 128 | 110.9 Ų | 110.9 | 60% | 0.598 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.2 | -38.5 | 178.6 | -159.4 | 174.3 | 15.8 | 0 | 0 | 111.7 | E123 Q129 A130 N131 | E123-Q127 WeakPolarHBondContact O-CB 3.36Å; E123-Q127 PolarHBondContact O-N 3.47Å; Q127-Q129 PolarHBondContact O-N 2.96Å; Q127-A130 PolarHBondContact O-N 3.41Å; Q127-N131 WeakPolarHBondContact O-CB 2.94Å; Q127-N131 PolarHBondContact O-N 3.05Å; Q127-N131 PolarHBondContact O-ND2 3.24Å |
| 128 | R | 89.8 | Confident | 84.7 | Confident | 184 Ų | 184 | 105.8 Ų | 105.8 | 69% | 0.694 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.4 | -40.7 | 172.1 | -77.2 | 173.8 | -177.8 | -164.1 | 1.2 | 112.4 | A124 K125 M126 K132 | A124-R128 WeakPolarHBondContact O-CB 2.83Å; A124-R128 VanDerWaalsContact O-CG 3.22Å; A124-R128 WeakPolarHBondContact O-CG 3.23Å; A124-R128 PolarHBondContact O-N 3.14Å; A124-R128 VanDerWaalsContact O-N 3.14Å; K125-R128 PolarHBondContact O-N 3.42Å; M126-R128 PolarHBondContact O-N 3.12Å; R128-K132 WeakPolarHBondContact O-CG 3.48Å; R128-K132 PolarHBondContact O-N 2.93Å; R128-K132 VanDerWaalsContact O-N 3.1Å |
| 129 | Q | 91.1 | Very high | 86.6 | Confident | 134 Ų | 134 | 109.8 Ų | 109.8 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.5 | -44.3 | 176.9 | -74.4 | 176.5 | -25.2 | 0 | 0 | 111.7 | K125 M126 Q127 N131 K132 T133 | K125-Q129 PolarHBondContact O-N 3.34Å; M126-Q129 PolarHBondContact O-N 3.21Å; M126-Q129 VanDerWaalsContact O-N 3.17Å; Q127-Q129 PolarHBondContact O-N 2.96Å; Q129-N131 VanDerWaalsContact C-N 3.34Å; Q129-N131 PolarHBondContact O-N 3.02Å; Q129-K132 PolarHBondContact O-N 2.82Å; Q129-T133 PolarHBondContact O-N 3.06Å; Q129-T133 PolarHBondContact O-OG1 2.92Å |
| 130 | A | 93.1 | Very high | 88.2 | Confident | 55 Ų | 55 | 115 Ų | 115 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M126 Q127 K132 T133 K134 | M126-A130 WeakPolarHBondContact O-CB 3.44Å; M126-A130 PolarHBondContact O-N 3.39Å; Q127-A130 PolarHBondContact O-N 3.41Å; A130-K132 PolarHBondContact O-N 3.49Å; A130-T133 PolarHBondContact O-N 3.05Å; A130-K134 WeakPolarHBondContact O-CB 3.48Å; A130-K134 PolarHBondContact O-N 2.89Å |
| 131 | N | 92.9 | Very high | 89.6 | Confident | 88 Ų | 88 | 117 Ų | 117 | 47% | 0.471 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 176.3 | -73 | -15.5 | 0 | 0 | 0 | 111.8 | Q127 Q129 T133 K134 T135 | Q127-N131 WeakPolarHBondContact O-CB 2.94Å; Q127-N131 PolarHBondContact O-N 3.05Å; Q127-N131 PolarHBondContact O-ND2 3.24Å; Q129-N131 VanDerWaalsContact C-N 3.34Å; Q129-N131 PolarHBondContact O-N 3.02Å; N131-T133 VanDerWaalsContact C-N 3.31Å; N131-T133 PolarHBondContact O-N 3.3Å; N131-K134 PolarHBondContact O-N 3.11Å; N131-T135 WeakPolarHBondContact O-CG2 3.22Å; N131-T135 PolarHBondContact O-N 2.75Å; N131-T135 PolarHBondContact O-OG1 2.93Å |
| 132 | K | 93.9 | Very high | 90.7 | Very high | 143 Ų | 143 | 110.9 Ų | 110.9 | 62% | 0.622 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.2 | -37.6 | 175.8 | -75.6 | 179.2 | 179.9 | -170.4 | 0 | 113 | R128 Q129 A130 T135 K136 | R128-K132 WeakPolarHBondContact O-CG 3.48Å; R128-K132 PolarHBondContact O-N 2.93Å; R128-K132 VanDerWaalsContact O-N 3.1Å; Q129-K132 PolarHBondContact O-N 2.82Å; A130-K132 PolarHBondContact O-N 3.49Å; K132-T135 PolarHBondContact O-OG1 3.1Å; K132-K136 WeakPolarHBondContact O-CG 3.45Å; K132-K136 PolarHBondContact O-N 3.42Å |
| 133 | T | 91.8 | Very high | 91.8 | Very high | 75 Ų | 75 | 110.2 Ų | 110.2 | 46% | 0.46 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.1 | -41.7 | 177.1 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | Q129 A130 N131 K136 Q137 | Q129-T133 PolarHBondContact O-N 3.06Å; Q129-T133 PolarHBondContact O-OG1 2.92Å; A130-T133 PolarHBondContact O-N 3.05Å; N131-T133 VanDerWaalsContact C-N 3.31Å; N131-T133 PolarHBondContact O-N 3.3Å; T133-K136 PolarHBondContact O-N 3.46Å; T133-Q137 WeakPolarHBondContact O-CG 3.14Å; T133-Q137 PolarHBondContact O-N 3.42Å |
| 134 | K | 95.6 | Very high | 92.4 | Very high | 123 Ų | 123 | 110.2 Ų | 110.2 | 54% | 0.535 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 178 | -172.2 | 175.5 | 178.6 | -179.4 | 0 | 111.6 | A130 N131 K136 Q137 D138 | A130-K134 WeakPolarHBondContact O-CB 3.48Å; A130-K134 PolarHBondContact O-N 2.89Å; N131-K134 PolarHBondContact O-N 3.11Å; K134-K136 VanDerWaalsContact C-N 3.31Å; K134-K136 PolarHBondContact O-N 3.29Å; K134-Q137 WeakPolarHBondContact O-CB 3.35Å; K134-Q137 PolarHBondContact O-N 3.29Å; K134-D138 PolarHBondContact O-N 2.84Å |
| 135 | T | 94.4 | Very high | 92.7 | Very high | 73 Ų | 73 | 112.2 Ų | 112.2 | 45% | 0.448 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.1 | -43 | 176.9 | 56.4 | 0 | 0 | 0 | 0 | 111.6 | N131 K132 Q137 D138 E139 | N131-T135 WeakPolarHBondContact O-CG2 3.22Å; N131-T135 PolarHBondContact O-N 2.75Å; N131-T135 PolarHBondContact O-OG1 2.93Å; K132-T135 PolarHBondContact O-OG1 3.1Å; T135-Q137 VanDerWaalsContact C-N 3.32Å; T135-Q137 PolarHBondContact O-N 3.22Å; T135-D138 PolarHBondContact O-N 3Å; T135-E139 WeakPolarHBondContact O-CB 3.22Å; T135-E139 VanDerWaalsContact O-CG 3.31Å; T135-E139 WeakPolarHBondContact O-CG 3.46Å; T135-E139 PolarHBondContact O-N 2.72Å |
| 136 | K | 95.3 | Very high | 93 | Very high | 132 Ų | 132 | 112.8 Ų | 112.8 | 57% | 0.574 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.9 | -30.4 | 175.2 | -72.9 | -177.9 | 178 | -169.2 | 0 | 113.6 | K132 T133 K134 R140 | K132-K136 WeakPolarHBondContact O-CG 3.45Å; K132-K136 PolarHBondContact O-N 3.42Å; T133-K136 PolarHBondContact O-N 3.46Å; K134-K136 VanDerWaalsContact C-N 3.31Å; K134-K136 PolarHBondContact O-N 3.29Å; K136-R140 WeakPolarHBondContact O-CG 3.46Å; K136-R140 PolarHBondContact O-N 3.08Å; K136-R140 PolarHBondContact O-NE 2.04Å; K136-R140 VanDerWaalsContact O-NE 3.09Å |
| 137 | Q | 94.8 | Very high | 93.3 | Very high | 105 Ų | 105 | 114.5 Ų | 114.5 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72.5 | -43.6 | 173.9 | -77.4 | 176.8 | -16.5 | 0 | 0 | 110.9 | T133 K134 T135 R140 R141 | T133-Q137 WeakPolarHBondContact O-CG 3.14Å; T133-Q137 PolarHBondContact O-N 3.42Å; K134-Q137 WeakPolarHBondContact O-CB 3.35Å; K134-Q137 PolarHBondContact O-N 3.29Å; T135-Q137 VanDerWaalsContact C-N 3.32Å; T135-Q137 PolarHBondContact O-N 3.22Å; Q137-R140 PolarHBondContact O-N 3.43Å; Q137-R141 WeakPolarHBondContact O-CB 3.39Å; Q137-R141 PolarHBondContact O-N 3.5Å |
| 138 | D | 94.8 | Very high | 93.4 | Very high | 81 Ų | 81 | 113.7 Ų | 113.7 | 43% | 0.433 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 178.5 | -67.9 | -23.5 | 0 | 0 | 0 | 111.3 | K134 T135 R141 A142 | K134-D138 PolarHBondContact O-N 2.84Å; T135-D138 PolarHBondContact O-N 3Å; D138-R141 PolarHBondContact O-N 2.99Å; D138-A142 VanDerWaalsContact O-CB 3.31Å; D138-A142 WeakPolarHBondContact O-CB 3.49Å; D138-A142 PolarHBondContact O-N 2.78Å |
| 139 | E | 95.3 | Very high | 93.3 | Very high | 129 Ų | 129 | 110.7 Ų | 110.7 | 60% | 0.603 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.3 | -49.2 | 172.6 | -78.3 | 171.2 | -179.5 | 0 | 0 | 111.8 | T135 R141 A142 E143 | T135-E139 WeakPolarHBondContact O-CB 3.22Å; T135-E139 VanDerWaalsContact O-CG 3.31Å; T135-E139 WeakPolarHBondContact O-CG 3.46Å; T135-E139 PolarHBondContact O-N 2.72Å; E139-R141 VanDerWaalsContact C-N 3.31Å; E139-R141 PolarHBondContact O-N 3.33Å; E139-A142 PolarHBondContact O-N 3.38Å; E139-E143 WeakPolarHBondContact O-CB 3.08Å; E139-E143 PolarHBondContact O-N 3.46Å |
| 140 | R | 95.6 | Very high | 93.3 | Very high | 149 Ų | 149 | 108.1 Ų | 108.1 | 56% | 0.562 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62 | -39 | 176.6 | -75.4 | -177.6 | -70.3 | -167.6 | 3 | 112.1 | K136 Q137 M144 | K136-R140 WeakPolarHBondContact O-CG 3.46Å; K136-R140 PolarHBondContact O-N 3.08Å; K136-R140 PolarHBondContact O-NE 2.04Å; K136-R140 VanDerWaalsContact O-NE 3.09Å; Q137-R140 PolarHBondContact O-N 3.43Å; R140-M144 WeakPolarHBondContact O-CB 3.23Å; R140-M144 WeakPolarHBondContact O-CG 3.32Å; R140-M144 PolarHBondContact O-N 2.93Å |
| 141 | R | 93.4 | Very high | 93.2 | Very high | 160 Ų | 160 | 110.1 Ų | 110.1 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.4 | -41.4 | 176.9 | -169.3 | 175.3 | -175.4 | 178.2 | -0.4 | 111.4 | Q137 D138 E139 N145 | Q137-R141 WeakPolarHBondContact O-CB 3.39Å; Q137-R141 PolarHBondContact O-N 3.5Å; D138-R141 PolarHBondContact O-N 2.99Å; E139-R141 VanDerWaalsContact C-N 3.31Å; E139-R141 PolarHBondContact O-N 3.33Å; R141-N145 WeakPolarHBondContact O-CB 3.44Å; R141-N145 PolarHBondContact O-N 3.49Å |
| 142 | A | 94.5 | Very high | 93 | Very high | 60 Ų | 60 | 109 Ų | 109 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D138 E139 N145 K146 | D138-A142 VanDerWaalsContact O-CB 3.31Å; D138-A142 WeakPolarHBondContact O-CB 3.49Å; D138-A142 PolarHBondContact O-N 2.78Å; E139-A142 PolarHBondContact O-N 3.38Å; A142-N145 PolarHBondContact O-N 2.77Å; A142-K146 WeakPolarHBondContact O-CB 3.49Å; A142-K146 PolarHBondContact O-N 3.49Å |
| 143 | E | 95.4 | Very high | 92.8 | Very high | 117 Ų | 117 | 108.5 Ų | 108.5 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -49.5 | 175 | -175.9 | -179.5 | -179.5 | 0 | 0 | 111.1 | E139 N145 K146 R147 | E139-E143 WeakPolarHBondContact O-CB 3.08Å; E139-E143 PolarHBondContact O-N 3.46Å; E143-N145 VanDerWaalsContact C-N 3.33Å; E143-N145 PolarHBondContact O-N 2.83Å; E143-K146 PolarHBondContact O-N 3.13Å; E143-R147 WeakPolarHBondContact O-CG 3.31Å; E143-R147 PolarHBondContact O-N 2.02Å |
| 144 | M | 93.1 | Very high | 92.8 | Very high | 109 Ų | 109 | 112.7 Ų | 112.7 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.1 | -46.1 | 175.8 | -76.6 | -68.4 | -71.9 | 0 | 0 | 111.4 | R140 K146 R147 H148 | R140-M144 WeakPolarHBondContact O-CB 3.23Å; R140-M144 WeakPolarHBondContact O-CG 3.32Å; R140-M144 PolarHBondContact O-N 2.93Å; M144-K146 VanDerWaalsContact C-N 3.34Å; M144-K146 PolarHBondContact O-N 2.68Å; M144-R147 PolarHBondContact O-N 3.35Å; M144-H148 PolarHBondContact O-N 2.97Å; M144-H148 PolarHBondContact O-ND1 3.29Å |
| 145 | N | 89.7 | Confident | 92.5 | Very high | 85 Ų | 85 | 114.2 Ų | 114.2 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 177.7 | -76.1 | -9.1 | 0 | 0 | 0 | 112 | R141 A142 E143 H148 Q149 | R141-N145 WeakPolarHBondContact O-CB 3.44Å; R141-N145 PolarHBondContact O-N 3.49Å; A142-N145 PolarHBondContact O-N 2.77Å; E143-N145 VanDerWaalsContact C-N 3.33Å; E143-N145 PolarHBondContact O-N 2.83Å; N145-H148 PolarHBondContact O-N 2.83Å; N145-Q149 WeakPolarHBondContact O-CG 3.49Å; N145-Q149 PolarHBondContact O-N 3.23Å |
| 146 | K | 92.9 | Very high | 92.1 | Very high | 131 Ų | 131 | 113.4 Ų | 113.4 | 57% | 0.57 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.8 | -47.1 | 177.2 | -171.7 | -175.8 | 176.8 | -173.3 | 0 | 111.3 | A142 E143 M144 H148 Q149 E150 | A142-K146 WeakPolarHBondContact O-CB 3.49Å; A142-K146 PolarHBondContact O-N 3.49Å; E143-K146 PolarHBondContact O-N 3.13Å; M144-K146 VanDerWaalsContact C-N 3.34Å; M144-K146 PolarHBondContact O-N 2.68Å; K146-H148 VanDerWaalsContact C-N 3.31Å; K146-H148 PolarHBondContact O-N 3.16Å; K146-Q149 PolarHBondContact O-N 2.92Å; K146-Q149 VanDerWaalsContact O-N 3.14Å; K146-E150 VanDerWaalsContact CE-OE1 3.29Å; K146-E150 WeakPolarHBondContact CE-OE1 3.42Å; K146-E150 WeakPolarHBondContact O-CG 3.01Å; K146-E150 PolarHBondContact O-N 2.86Å |
| 147 | R | 93.7 | Very high | 91.6 | Very high | 143 Ų | 143 | 111.8 Ų | 111.8 | 54% | 0.54 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.2 | -42.8 | 174.5 | -68.5 | -61.8 | -166.9 | 179.6 | 6.6 | 112.1 | E143 M144 Q149 E150 I151 | E143-R147 WeakPolarHBondContact O-CG 3.31Å; E143-R147 PolarHBondContact O-N 2.02Å; M144-R147 PolarHBondContact O-N 3.35Å; R147-Q149 VanDerWaalsContact C-N 3.35Å; R147-Q149 PolarHBondContact O-N 3.14Å; R147-E150 IonicContact NH1-OE2 3.45Å; R147-E150 PolarHBondContact NH1-OE2 2.84Å; R147-E150 PolarHBondContact O-N 3.21Å; R147-I151 WeakPolarHBondContact O-CG1 3.4Å; R147-I151 PolarHBondContact O-N 3.5Å; R147-I151 VanDerWaalsContact O-N 3.08Å |
| 148 | H | 89.6 | Confident | 90.7 | Very high | 112 Ų | 112 | 112.7 Ų | 112.7 | 52% | 0.519 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 176 | -80.2 | 81.9 | 0 | 0 | 0 | 112 | M144 N145 K146 I151 R152 | M144-H148 PolarHBondContact O-N 2.97Å; M144-H148 PolarHBondContact O-ND1 3.29Å; N145-H148 PolarHBondContact O-N 2.83Å; K146-H148 VanDerWaalsContact C-N 3.31Å; K146-H148 PolarHBondContact O-N 3.16Å; H148-I151 PolarHBondContact O-N 3.43Å; H148-R152 VanDerWaalsContact O-CB 3.31Å; H148-R152 WeakPolarHBondContact O-CB 3.43Å; H148-R152 PolarHBondContact O-N 3.27Å |
| 149 | Q | 89 | Confident | 90.1 | Very high | 121 Ų | 121 | 111 Ų | 111 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.9 | -41.9 | 176.9 | -73 | 177.3 | 0.3 | 0 | 0 | 112.2 | N145 K146 R147 I151 R152 Q153 | N145-Q149 WeakPolarHBondContact O-CG 3.49Å; N145-Q149 PolarHBondContact O-N 3.23Å; K146-Q149 PolarHBondContact O-N 2.92Å; K146-Q149 VanDerWaalsContact O-N 3.14Å; R147-Q149 VanDerWaalsContact C-N 3.35Å; R147-Q149 PolarHBondContact O-N 3.14Å; Q149-I151 VanDerWaalsContact C-N 3.33Å; Q149-I151 PolarHBondContact O-N 3.13Å; Q149-R152 WeakPolarHBondContact O-CB 2.98Å; Q149-R152 PolarHBondContact O-N 3.41Å; Q149-R152 VanDerWaalsContact O-N 3.15Å; Q149-Q153 WeakPolarHBondContact O-CG 3.4Å; Q149-Q153 PolarHBondContact O-N 3.36Å |
| 150 | E | 91.4 | Very high | 89.2 | Confident | 79 Ų | 79 | 110.8 Ų | 110.8 | 37% | 0.369 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -57.5 | -45.1 | 175.2 | -73.8 | 170.7 | -173.6 | 0 | 0 | 111.4 | K146 R147 Q153 K154 | K146-E150 VanDerWaalsContact CE-OE1 3.29Å; K146-E150 WeakPolarHBondContact CE-OE1 3.42Å; K146-E150 WeakPolarHBondContact O-CG 3.01Å; K146-E150 PolarHBondContact O-N 2.86Å; R147-E150 IonicContact NH1-OE2 3.45Å; R147-E150 PolarHBondContact NH1-OE2 2.84Å; R147-E150 PolarHBondContact O-N 3.21Å; E150-Q153 PolarHBondContact O-N 2.93Å; E150-K154 PolarHBondContact O-N 3.49Å |
| 151 | I | 90.6 | Very high | 88.4 | Confident | 98 Ų | 98 | 107.5 Ų | 107.5 | 50% | 0.503 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 174.6 | -69 | 168.6 | 0 | 0 | 0 | 110.3 | R147 H148 Q149 Q153 K154 Y155 | R147-I151 WeakPolarHBondContact O-CG1 3.4Å; R147-I151 PolarHBondContact O-N 3.5Å; R147-I151 VanDerWaalsContact O-N 3.08Å; H148-I151 PolarHBondContact O-N 3.43Å; Q149-I151 VanDerWaalsContact C-N 3.33Å; Q149-I151 PolarHBondContact O-N 3.13Å; I151-Q153 VanDerWaalsContact C-N 3.29Å; I151-Q153 PolarHBondContact O-N 3.36Å; I151-K154 WeakPolarHBondContact O-CB 3.33Å; I151-K154 PolarHBondContact O-N 3Å; I151-K154 VanDerWaalsContact O-N 3.12Å; I151-Y155 HydrophobicContact CG2-CD2 3.91Å; I151-Y155 HydrophobicContact CG2-CE2 3.97Å; I151-Y155 WeakPolarHBondContact O-CD2 3.05Å; I151-Y155 PolarHBondContact O-N 3.27Å |
| 152 | R | 89.1 | Confident | 87.8 | Confident | 65 Ų | 65 | 104.6 Ų | 104.6 | 25% | 0.245 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -61.2 | -39 | -177.1 | -160.1 | 178.6 | 157.6 | 107.8 | 6 | 111.7 | H148 Q149 G156 L157 G159 P160 | H148-R152 VanDerWaalsContact O-CB 3.31Å; H148-R152 WeakPolarHBondContact O-CB 3.43Å; H148-R152 PolarHBondContact O-N 3.27Å; Q149-R152 WeakPolarHBondContact O-CB 2.98Å; Q149-R152 PolarHBondContact O-N 3.41Å; Q149-R152 VanDerWaalsContact O-N 3.15Å; R152-G156 PolarHBondContact O-N 3.17Å; R152-L157 HydrophobicContact CB-CB 4.44Å; R152-L157 HydrophobicContact CG-CB 3.39Å; R152-L157 HydrophobicContact CG-CD1 4.44Å; R152-L157 VanDerWaalsContact CG-O 3.27Å; R152-L157 WeakPolarHBondContact CG-O 3.44Å; R152-L157 PolarHBondContact NE-O 3.47Å; R152-L157 PolarHBondContact NH2-O 3.21Å; R152-L157 WeakPolarHBondContact O-CB 3.02Å; R152-L157 PolarHBondContact O-N 2.88Å; R152-G159 PolarHBondContact NH2-O 3.24Å; R152-P160 PolarHBondContact NH2-O 2.86Å |
| 153 | Q | 88.3 | Confident | 86.8 | Confident | 132 Ų | 132 | 109.8 Ų | 109.8 | 62% | 0.617 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66 | -43.2 | 173 | -72.7 | 178.4 | 0.2 | 0 | 0 | 112.4 | Q149 E150 I151 Y155 G156 | Q149-Q153 WeakPolarHBondContact O-CG 3.4Å; Q149-Q153 PolarHBondContact O-N 3.36Å; E150-Q153 PolarHBondContact O-N 2.93Å; I151-Q153 VanDerWaalsContact C-N 3.29Å; I151-Q153 PolarHBondContact O-N 3.36Å; Q153-Y155 PolarHBondContact O-N 3.26Å; Q153-G156 PolarHBondContact O-N 2.02Å; Q153-G156 VanDerWaalsContact O-N 3.08Å |
| 154 | K | 92.5 | Very high | 85.8 | Confident | 163 Ų | 163 | 106.9 Ų | 106.9 | 71% | 0.709 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -57.2 | -34.8 | 178.9 | -174.8 | -178.5 | 178.6 | -174.7 | 0 | 113 | E150 I151 | E150-K154 PolarHBondContact O-N 3.49Å; I151-K154 WeakPolarHBondContact O-CB 3.33Å; I151-K154 PolarHBondContact O-N 3Å; I151-K154 VanDerWaalsContact O-N 3.12Å |
| 155 | Y | 89.2 | Confident | 85.2 | Confident | 154 Ų | 154 | 111.5 Ų | 111.5 | 60% | 0.604 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 14.6 | -179.8 | -63.5 | -77 | 0 | 0 | 0 | 113.7 | I151 Q153 L157 | I151-Y155 HydrophobicContact CG2-CD2 3.91Å; I151-Y155 HydrophobicContact CG2-CE2 3.97Å; I151-Y155 WeakPolarHBondContact O-CD2 3.05Å; I151-Y155 PolarHBondContact O-N 3.27Å; Q153-Y155 PolarHBondContact O-N 3.26Å; Y155-L157 VanDerWaalsContact C-N 3.26Å; Y155-L157 PolarHBondContact O-N 3.09Å |
| 156 | G | 85.8 | Confident | 84.6 | Confident | 56 Ų | 56 | 114 Ų | 114 | 58% | 0.577 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.2 | 15.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R152 Q153 N158 | R152-G156 PolarHBondContact O-N 3.17Å; Q153-G156 PolarHBondContact O-N 2.02Å; Q153-G156 VanDerWaalsContact O-N 3.08Å; G156-N158 PolarHBondContact O-N 3.26Å |
| 157 | L | 84.9 | Confident | 83.2 | Confident | 99 Ų | 99 | 114.7 Ų | 114.7 | 52% | 0.518 | 59% | 0.585 | S | S | . | * | trans | -82.2 | 46.2 | -178.6 | -72 | 158.8 | 0 | 0 | 0 | 111.8 | R152 Y155 G159 | R152-L157 HydrophobicContact CB-CB 4.44Å; R152-L157 HydrophobicContact CG-CB 3.39Å; R152-L157 HydrophobicContact CG-CD1 4.44Å; R152-L157 VanDerWaalsContact CG-O 3.27Å; R152-L157 WeakPolarHBondContact CG-O 3.44Å; R152-L157 PolarHBondContact NE-O 3.47Å; R152-L157 PolarHBondContact NH2-O 3.21Å; R152-L157 WeakPolarHBondContact O-CB 3.02Å; R152-L157 PolarHBondContact O-N 2.88Å; Y155-L157 VanDerWaalsContact C-N 3.26Å; Y155-L157 PolarHBondContact O-N 3.09Å; L157-G159 PolarHBondContact O-N 2.94Å; L157-G159 VanDerWaalsContact O-N 3.1Å | ||
| 158 | N | 76.8 | Confident | 82.7 | Confident | 124 Ų | 124 | 113.3 Ų | 113.3 | 66% | 0.663 | 59% | 0.588 | S | S | * | * | trans | -73.3 | -2 | -169.7 | -64.9 | -17.4 | 0 | 0 | 0 | 115.1 | G156 | G156-N158 PolarHBondContact O-N 3.26Š| ||
| 159 | G | 80.8 | Confident | 82.3 | Confident | 45 Ų | 45 | 113.3 Ų | 113.3 | 46% | 0.464 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -74.6 | -179.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R152 L157 | R152-G159 PolarHBondContact NH2-O 3.24Å; L157-G159 PolarHBondContact O-N 2.94Å; L157-G159 VanDerWaalsContact O-N 3.1Å |
| 160 | P | 77.4 | Confident | 81.9 | Confident | 124 Ų | 124 | 112.9 Ų | 112.9 | 81% | 0.805 | 59% | 0.593 | S | S | * | * | trans | -60.1 | 144.1 | 171.5 | -18.9 | 30.7 | 0 | 0 | 0 | 111.7 | R152 P162 | R152-P160 PolarHBondContact NH2-O 2.86Å; P160-P162 VanDerWaalsContact O-CD 3.3Å; P160-P162 WeakPolarHBondContact O-CD 3.35Å | ||
| 161 | N | 78.5 | Confident | 81.4 | Confident | 81 Ų | 81 | 114.9 Ų | 114.9 | 43% | 0.433 | 61% | 0.606 | S | S | . | * | trans | -72.1 | 118.5 | 172 | -177.9 | -1 | 0 | 0 | 0 | 109.1 | Y163 A164 | N161-Y163 PolarHBondContact O-N 3.09Å; N161-Y163 PolarHBondContact OD1-N 3.3Å; N161-Y163 VanDerWaalsContact OD1-N 3.09Å; N161-A164 HydrophobicContact CB-CB 4.17Å; N161-A164 VanDerWaalsContact O-CB 3.31Å; N161-A164 WeakPolarHBondContact O-CB 3.45Å; N161-A164 PolarHBondContact O-N 2.02Å | ||
| 162 | P | 80 | Confident | 80.8 | Confident | 98 Ų | 98 | 115.9 Ų | 115.9 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -57.2 | -25.6 | -179.9 | -23.6 | 34.1 | 0 | 0 | 0 | 113.3 | P160 | P160-P162 VanDerWaalsContact O-CD 3.3Å; P160-P162 WeakPolarHBondContact O-CD 3.35Å |
| 163 | Y | 74.4 | Confident | 80.2 | Confident | 170 Ų | 170 | 119.3 Ų | 119.3 | 67% | 0.667 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -90.5 | -3.9 | -179.8 | -64.5 | -80.5 | 0 | 0 | 0 | 114.3 | N161 R165 F166 | N161-Y163 PolarHBondContact O-N 3.09Å; N161-Y163 PolarHBondContact OD1-N 3.3Å; N161-Y163 VanDerWaalsContact OD1-N 3.09Å; Y163-R165 PolarHBondContact O-N 3.45Å; Y163-R165 VanDerWaalsContact O-N 3.15Å; Y163-F166 HydrophobicContact CD1-CD2 4.18Å; Y163-F166 HydrophobicContact CD1-CE2 4.31Å; Y163-F166 PolarHBondContact O-N 2.67Å; Y163-F166 VanDerWaalsContact O-N 3.15Å |
| 164 | A | 75 | Confident | 79.7 | Confident | 56 Ų | 56 | 118.4 Ų | 118.4 | 46% | 0.463 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -64 | -17.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N161 F166 S167 | N161-A164 HydrophobicContact CB-CB 4.17Å; N161-A164 VanDerWaalsContact O-CB 3.31Å; N161-A164 WeakPolarHBondContact O-CB 3.45Å; N161-A164 PolarHBondContact O-N 2.02Å; A164-F166 PolarHBondContact O-N 2.74Å; A164-S167 PolarHBondContact O-OG 2.73Å |
| 165 | R | 80.1 | Confident | 78.7 | Confident | 205 Ų | 205 | 115 Ų | 115 | 77% | 0.774 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -70.8 | -14.1 | 175.8 | 83.8 | 176.8 | -154.1 | 177.3 | 4.5 | 114 | Y163 | Y163-R165 PolarHBondContact O-N 3.45Å; Y163-R165 VanDerWaalsContact O-N 3.15Å |
| 166 | F | 76.9 | Confident | 77.8 | Confident | 138 Ų | 138 | 111.8 Ų | 111.8 | 61% | 0.605 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -109.3 | 2.4 | -174.5 | -58 | -73.1 | 0 | 0 | 0 | 113.2 | Y163 A164 | Y163-F166 HydrophobicContact CD1-CD2 4.18Å; Y163-F166 HydrophobicContact CD1-CE2 4.31Å; Y163-F166 PolarHBondContact O-N 2.67Å; Y163-F166 VanDerWaalsContact O-N 3.15Å; A164-F166 PolarHBondContact O-N 2.74Å |
| 167 | S | 63 | Low | 77.1 | Confident | 145 Ų | 145 | 116.8 Ų | 116.8 | 100% | 1.014 | 64% | 0.64 | S | S | * | * | trans | -99.1 | 0 | -176.8 | 63.8 | 0 | 0 | 0 | 0 | 113.5 | A164 | A164-S167 PolarHBondContact O-OG 2.73Š|
Retrieved 167 of 167 residues in 162.2 ms
(Link to these results)