| 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 | 65.4 | Low | 85.7 | Confident | 129 Ų | 129 | 118.4 Ų | 118.4 | 64% | 0.635 | 59% | 0.59 | S | S | * | * | 0 | 129.1 | 0 | -105.8 | 170.8 | 82 | 0 | 0 | 109.6 | Q5 R6 L9 | M1-Q5 VanDerWaalsContact CE-C 3.49Å; M1-Q5 HydrophobicContact CE-CB 3.72Å; M1-Q5 HydrophobicContact CG-CB 4.19Å; M1-R6 HydrophobicContact CB-CG 4.17Å; M1-R6 HydrophobicContact CE-CB 4.27Å; M1-R6 HydrophobicContact CE-CG 3.66Å; M1-L9 HydrophobicContact CE-CD1 3.8Å | |||
| 2 | K | 84.8 | Confident | 86.3 | Confident | 170 Ų | 170 | 116.3 Ų | 116.3 | 74% | 0.739 | 58% | 0.581 | S | S | * | * | trans | -68.4 | 147.7 | 174.2 | -69.2 | 178.6 | 177.9 | 176.1 | 0 | 109.3 | K4 Q5 R6 | K2-K4 PolarHBondContact O-N 3.17Å; K2-K4 VanDerWaalsContact O-N 3.09Å; K2-Q5 WeakPolarHBondContact O-CB 3.18Å; K2-Q5 PolarHBondContact O-N 3.39Å; K2-R6 PolarHBondContact O-N 3.32Å | ||
| 3 | L | 85.3 | Confident | 86.8 | Confident | 132 Ų | 132 | 115.2 Ų | 115.2 | 69% | 0.691 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -49.5 | -40.5 | -177.4 | -175 | 65.2 | 0 | 0 | 0 | 112.5 | Q5 R6 V7 | L3-Q5 VanDerWaalsContact C-N 3.32Å; L3-Q5 PolarHBondContact O-N 3.28Å; L3-R6 PolarHBondContact O-N 3.13Å; L3-R6 VanDerWaalsContact O-N 3.09Å; L3-V7 WeakPolarHBondContact O-CG2 3.16Å; L3-V7 PolarHBondContact O-N 2.71Å; L3-V7 VanDerWaalsContact O-N 3.1Å |
| 4 | K | 82 | Confident | 87.1 | Confident | 179 Ų | 179 | 114.5 Ų | 114.5 | 78% | 0.778 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -57.6 | -39.2 | 176.4 | -63.3 | -175.5 | 178 | -173.8 | 0 | 113.3 | K2 V8 | K2-K4 PolarHBondContact O-N 3.17Å; K2-K4 VanDerWaalsContact O-N 3.09Å; K4-V8 WeakPolarHBondContact O-CG2 3.41Å; K4-V8 PolarHBondContact O-N 2.87Å |
| 5 | Q | 86.9 | Confident | 87.4 | Confident | 111 Ų | 111 | 111.8 Ų | 111.8 | 52% | 0.519 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.7 | -34.4 | 176.8 | -72.7 | 174.7 | -48.7 | 0 | 0 | 112.1 | M1 K2 L3 L9 | M1-Q5 VanDerWaalsContact CE-C 3.49Å; M1-Q5 HydrophobicContact CE-CB 3.72Å; M1-Q5 HydrophobicContact CG-CB 4.19Å; K2-Q5 WeakPolarHBondContact O-CB 3.18Å; K2-Q5 PolarHBondContact O-N 3.39Å; L3-Q5 VanDerWaalsContact C-N 3.32Å; L3-Q5 PolarHBondContact O-N 3.28Å; Q5-L9 WeakPolarHBondContact O-CB 3.08Å; Q5-L9 PolarHBondContact O-N 2.86Å; Q5-L9 VanDerWaalsContact O-N 3.1Å |
| 6 | R | 87.3 | Confident | 87.6 | Confident | 145 Ų | 145 | 110.6 Ų | 110.6 | 55% | 0.547 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68 | -40.4 | 177.6 | -66.4 | -179.5 | 175.2 | 168.7 | -1.8 | 111.4 | M1 K2 L3 L9 L10 | M1-R6 HydrophobicContact CB-CG 4.17Å; M1-R6 HydrophobicContact CE-CB 4.27Å; M1-R6 HydrophobicContact CE-CG 3.66Å; K2-R6 PolarHBondContact O-N 3.32Å; L3-R6 PolarHBondContact O-N 3.13Å; L3-R6 VanDerWaalsContact O-N 3.09Å; R6-L9 PolarHBondContact O-N 2.83Å; R6-L10 WeakPolarHBondContact O-CB 3.36Å; R6-L10 PolarHBondContact O-N 2.86Å |
| 7 | V | 88.6 | Confident | 87.6 | Confident | 90 Ų | 90 | 111.5 Ų | 111.5 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.5 | -43.3 | 177.2 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | L3 L9 L10 A11 | L3-V7 WeakPolarHBondContact O-CG2 3.16Å; L3-V7 PolarHBondContact O-N 2.71Å; L3-V7 VanDerWaalsContact O-N 3.1Å; V7-L9 PolarHBondContact O-N 2.94Å; V7-L10 PolarHBondContact O-N 2.84Å; V7-A11 PolarHBondContact O-N 2.87Å |
| 8 | V | 90.1 | Very high | 87.5 | Confident | 86 Ų | 86 | 110.2 Ų | 110.2 | 52% | 0.521 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.1 | -42.7 | 176.8 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | K4 L10 A11 I12 | K4-V8 WeakPolarHBondContact O-CG2 3.41Å; K4-V8 PolarHBondContact O-N 2.87Å; V8-L10 PolarHBondContact O-N 3.35Å; V8-A11 PolarHBondContact O-N 2.8Å; V8-I12 HydrophobicContact CG1-CD1 3.88Å; V8-I12 WeakPolarHBondContact O-CG1 2.94Å; V8-I12 PolarHBondContact O-N 3.36Å |
| 9 | L | 90.9 | Very high | 87.3 | Confident | 91 Ų | 91 | 111.9 Ų | 111.9 | 48% | 0.476 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.7 | -39.6 | 179.5 | -135.9 | 147.3 | 0 | 0 | 0 | 111.7 | M1 Q5 R6 V7 I12 L13 | M1-L9 HydrophobicContact CE-CD1 3.8Å; Q5-L9 WeakPolarHBondContact O-CB 3.08Å; Q5-L9 PolarHBondContact O-N 2.86Å; Q5-L9 VanDerWaalsContact O-N 3.1Å; R6-L9 PolarHBondContact O-N 2.83Å; V7-L9 PolarHBondContact O-N 2.94Å; L9-I12 PolarHBondContact O-N 3.41Å; L9-L13 HydrophobicContact CD2-CD1 3.94Å; L9-L13 HydrophobicContact CD2-CG 4.34Å; L9-L13 WeakPolarHBondContact O-CG 3.39Å; L9-L13 PolarHBondContact O-N 3.41Å |
| 10 | L | 90.8 | Very high | 87 | Confident | 117 Ų | 117 | 109.4 Ų | 109.4 | 61% | 0.613 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.4 | -42.9 | 172.7 | -102.5 | 150.4 | 0 | 0 | 0 | 112.4 | R6 V7 V8 L13 L14 | R6-L10 WeakPolarHBondContact O-CB 3.36Å; R6-L10 PolarHBondContact O-N 2.86Å; V7-L10 PolarHBondContact O-N 2.84Å; V8-L10 PolarHBondContact O-N 3.35Å; L10-L13 PolarHBondContact O-N 2.9Å; L10-L14 WeakPolarHBondContact O-CB 3.2Å; L10-L14 PolarHBondContact O-N 3.36Å |
| 11 | A | 90.9 | Very high | 86.5 | Confident | 52 Ų | 52 | 109 Ų | 109 | 43% | 0.43 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V7 V8 L14 V15 | V7-A11 PolarHBondContact O-N 2.87Å; V8-A11 PolarHBondContact O-N 2.8Å; A11-L14 PolarHBondContact O-N 2.81Å; A11-V15 VanDerWaalsContact O-CG2 3.25Å; A11-V15 WeakPolarHBondContact O-CG2 3.4Å; A11-V15 PolarHBondContact O-N 2.89Å |
| 12 | I | 92.9 | Very high | 87 | Confident | 94 Ų | 94 | 106.6 Ų | 106.6 | 48% | 0.482 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 176.9 | -67.4 | 167.1 | 0 | 0 | 0 | 110.7 | V8 L9 L14 V15 I16 | V8-I12 HydrophobicContact CG1-CD1 3.88Å; V8-I12 WeakPolarHBondContact O-CG1 2.94Å; V8-I12 PolarHBondContact O-N 3.36Å; L9-I12 PolarHBondContact O-N 3.41Å; I12-L14 VanDerWaalsContact C-N 3.32Å; I12-L14 PolarHBondContact O-N 3.22Å; I12-V15 PolarHBondContact O-N 3.3Å; I12-I16 HydrophobicContact CG2-CD1 3.84Å; I12-I16 VanDerWaalsContact O-CG1 3.31Å; I12-I16 WeakPolarHBondContact O-CG1 3.37Å; I12-I16 PolarHBondContact O-N 3.43Å |
| 13 | L | 92.3 | Very high | 86.4 | Confident | 101 Ų | 101 | 105.7 Ų | 105.7 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.5 | -38 | 177.6 | -73.2 | 172.9 | 0 | 0 | 0 | 112.3 | L9 L10 I16 F17 | L9-L13 HydrophobicContact CD2-CD1 3.94Å; L9-L13 HydrophobicContact CD2-CG 4.34Å; L9-L13 WeakPolarHBondContact O-CG 3.39Å; L9-L13 PolarHBondContact O-N 3.41Å; L10-L13 PolarHBondContact O-N 2.9Å; L13-I16 PolarHBondContact O-N 2.81Å; L13-F17 WeakPolarHBondContact O-CB 3.39Å; L13-F17 PolarHBondContact O-N 2.83Å |
| 14 | L | 91.8 | Very high | 85.4 | Confident | 106 Ų | 106 | 104.9 Ų | 104.9 | 56% | 0.555 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.2 | -43 | 176.8 | -161.3 | 105.7 | 0 | 0 | 0 | 111.4 | L10 A11 I12 F17 I18 | L10-L14 WeakPolarHBondContact O-CB 3.2Å; L10-L14 PolarHBondContact O-N 3.36Å; A11-L14 PolarHBondContact O-N 2.81Å; I12-L14 VanDerWaalsContact C-N 3.32Å; I12-L14 PolarHBondContact O-N 3.22Å; L14-F17 PolarHBondContact O-N 3.21Å; L14-I18 HydrophobicContact CD2-CD1 3.89Å; L14-I18 HydrophobicContact CG-CD1 4.26Å; L14-I18 VanDerWaalsContact O-CG1 3.27Å; L14-I18 WeakPolarHBondContact O-CG1 3.41Å; L14-I18 PolarHBondContact O-N 3.27Å |
| 15 | V | 90.9 | Very high | 84.4 | Confident | 74 Ų | 74 | 99.3 Ų | 99.3 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 176.1 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | A11 I12 F17 I18 F19 | A11-V15 VanDerWaalsContact O-CG2 3.25Å; A11-V15 WeakPolarHBondContact O-CG2 3.4Å; A11-V15 PolarHBondContact O-N 2.89Å; I12-V15 PolarHBondContact O-N 3.3Å; V15-F17 VanDerWaalsContact C-N 3.29Å; V15-F17 PolarHBondContact O-N 3.07Å; V15-I18 PolarHBondContact O-N 3.08Å; V15-F19 HydrophobicContact CG1-CD2 3.7Å; V15-F19 HydrophobicContact CG1-CE2 3.83Å; V15-F19 WeakPolarHBondContact O-CD2 3.22Å; V15-F19 PolarHBondContact O-N 3.5Å |
| 16 | I | 90.5 | Very high | 83.1 | Confident | 92 Ų | 92 | 98.7 Ų | 98.7 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 176.1 | -67.5 | 167.2 | 0 | 0 | 0 | 110.5 | I12 L13 I18 F19 T20 | I12-I16 HydrophobicContact CG2-CD1 3.84Å; I12-I16 VanDerWaalsContact O-CG1 3.31Å; I12-I16 WeakPolarHBondContact O-CG1 3.37Å; I12-I16 PolarHBondContact O-N 3.43Å; L13-I16 PolarHBondContact O-N 2.81Å; I16-I18 PolarHBondContact O-N 3.47Å; I16-F19 PolarHBondContact O-N 2.96Å; I16-T20 HydrophobicContact CG2-CG2 4.3Å; I16-T20 WeakPolarHBondContact O-CG2 3.4Å; I16-T20 PolarHBondContact O-N 3.4Å; I16-T20 PolarHBondContact O-OG1 2.87Å; I16-T20 VanDerWaalsContact O-OG1 3.09Å |
| 17 | F | 88 | Confident | 81.7 | Confident | 126 Ų | 126 | 96.3 Ų | 96.3 | 55% | 0.553 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.2 | -39 | 178.5 | -175.9 | -98.1 | 0 | 0 | 0 | 112.9 | L13 L14 V15 T20 K21 | L13-F17 WeakPolarHBondContact O-CB 3.39Å; L13-F17 PolarHBondContact O-N 2.83Å; L14-F17 PolarHBondContact O-N 3.21Å; V15-F17 VanDerWaalsContact C-N 3.29Å; V15-F17 PolarHBondContact O-N 3.07Å; F17-T20 WeakPolarHBondContact CA-OG1 3.42Å; F17-T20 PolarHBondContact O-OG1 3.03Å; F17-K21 HydrophobicContact CD1-CG 4.31Å; F17-K21 HydrophobicContact CE1-CG 3.9Å; F17-K21 HydrophobicContact CZ-CG 4.05Å; F17-K21 VanDerWaalsContact O-CB 3.27Å; F17-K21 WeakPolarHBondContact O-CB 3.36Å; F17-K21 WeakPolarHBondContact O-CG 3.49Å; F17-K21 PolarHBondContact O-N 3.39Å |
| 18 | I | 85.6 | Confident | 80 | Confident | 89 Ų | 89 | 98.3 Ų | 98.3 | 46% | 0.456 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -46.1 | 175 | -68.4 | 164.2 | 0 | 0 | 0 | 110 | L14 V15 I16 T20 K21 V22 | L14-I18 HydrophobicContact CD2-CD1 3.89Å; L14-I18 HydrophobicContact CG-CD1 4.26Å; L14-I18 VanDerWaalsContact O-CG1 3.27Å; L14-I18 WeakPolarHBondContact O-CG1 3.41Å; L14-I18 PolarHBondContact O-N 3.27Å; V15-I18 PolarHBondContact O-N 3.08Å; I16-I18 PolarHBondContact O-N 3.47Å; I18-T20 PolarHBondContact O-N 3.26Å; I18-K21 PolarHBondContact O-N 3.08Å; I18-V22 HydrophobicContact CG2-CG2 4.34Å; I18-V22 WeakPolarHBondContact O-CG2 3.12Å; I18-V22 PolarHBondContact O-N 3.27Å |
| 19 | F | 83.6 | Confident | 78.2 | Confident | 142 Ų | 142 | 99.8 Ų | 99.8 | 62% | 0.623 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.2 | -41.2 | 178 | -90.9 | -77.6 | 0 | 0 | 0 | 112.4 | V15 I16 F23 | V15-F19 HydrophobicContact CG1-CD2 3.7Å; V15-F19 HydrophobicContact CG1-CE2 3.83Å; V15-F19 WeakPolarHBondContact O-CD2 3.22Å; V15-F19 PolarHBondContact O-N 3.5Å; I16-F19 PolarHBondContact O-N 2.96Å; F19-F23 WeakPolarHBondContact O-CB 3.43Å; F19-F23 PolarHBondContact O-N 3.45Å |
| 20 | T | 80.5 | Confident | 76.6 | Confident | 61 Ų | 61 | 98.7 Ų | 98.7 | 37% | 0.374 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 175.5 | 54.7 | 0 | 0 | 0 | 0 | 111.3 | I16 F17 I18 L24 | I16-T20 HydrophobicContact CG2-CG2 4.3Å; I16-T20 WeakPolarHBondContact O-CG2 3.4Å; I16-T20 PolarHBondContact O-N 3.4Å; I16-T20 PolarHBondContact O-OG1 2.87Å; I16-T20 VanDerWaalsContact O-OG1 3.09Å; F17-T20 WeakPolarHBondContact CA-OG1 3.42Å; F17-T20 PolarHBondContact O-OG1 3.03Å; I18-T20 PolarHBondContact O-N 3.26Å; T20-L24 HydrophobicContact CG2-CD1 4.46Å; T20-L24 WeakPolarHBondContact O-CB 3.41Å; T20-L24 PolarHBondContact O-N 3.33Å |
| 21 | K | 78.3 | Confident | 75.2 | Confident | 103 Ų | 103 | 95.5 Ų | 95.5 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59 | -52.8 | 174.2 | -89.3 | -83 | 171.7 | 172.7 | 0 | 112.2 | F17 I18 I25 | F17-K21 HydrophobicContact CD1-CG 4.31Å; F17-K21 HydrophobicContact CE1-CG 3.9Å; F17-K21 HydrophobicContact CZ-CG 4.05Å; F17-K21 VanDerWaalsContact O-CB 3.27Å; F17-K21 WeakPolarHBondContact O-CB 3.36Å; F17-K21 WeakPolarHBondContact O-CG 3.49Å; F17-K21 PolarHBondContact O-N 3.39Å; I18-K21 PolarHBondContact O-N 3.08Å; K21-I25 HydrophobicContact CD-CD1 3.43Å; K21-I25 VanDerWaalsContact CD-CD1 3.43Å; K21-I25 HydrophobicContact CD-CG1 4.22Å; K21-I25 WeakPolarHBondContact O-CB 3.48Å; K21-I25 WeakPolarHBondContact O-CG1 3.28Å; K21-I25 PolarHBondContact O-N 3.4Å |
| 22 | V | 75.4 | Confident | 73.8 | Confident | 77 Ų | 77 | 96.4 Ų | 96.4 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 179.7 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | I18 D26 | I18-V22 HydrophobicContact CG2-CG2 4.34Å; I18-V22 WeakPolarHBondContact O-CG2 3.12Å; I18-V22 PolarHBondContact O-N 3.27Å; V22-D26 VanDerWaalsContact O-CB 3.23Å; V22-D26 WeakPolarHBondContact O-CB 3.41Å; V22-D26 PolarHBondContact O-N 3.41Å |
| 23 | F | 70.9 | Confident | 72.3 | Confident | 152 Ų | 152 | 94.7 Ų | 94.7 | 67% | 0.667 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -79.5 | -31.5 | -172 | -151.6 | -90.4 | 0 | 0 | 0 | 114.3 | F19 N27 | F19-F23 WeakPolarHBondContact O-CB 3.43Å; F19-F23 PolarHBondContact O-N 3.45Å; F23-N27 PolarHBondContact O-ND2 3.39Å; F23-N27 VanDerWaalsContact O-ND2 3.16Å |
| 24 | L | 64.9 | Low | 71.2 | Confident | 114 Ų | 114 | 93.5 Ų | 93.5 | 60% | 0.597 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -88.5 | -36.8 | 178.1 | -81.5 | 137.8 | 0 | 0 | 0 | 113.3 | T20 L28 | T20-L24 HydrophobicContact CG2-CD1 4.46Å; T20-L24 WeakPolarHBondContact O-CB 3.41Å; T20-L24 PolarHBondContact O-N 3.33Å; L24-L28 WeakPolarHBondContact O-CB 3.22Å; L24-L28 PolarHBondContact O-N 3.11Å |
| 25 | I | 60.6 | Low | 70.2 | Confident | 62 Ų | 62 | 95 Ų | 95 | 32% | 0.318 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -87.8 | -41.2 | -173.6 | -54.9 | -162.2 | 0 | 0 | 0 | 111.7 | K21 N27 L28 D29 | K21-I25 HydrophobicContact CD-CD1 3.43Å; K21-I25 VanDerWaalsContact CD-CD1 3.43Å; K21-I25 HydrophobicContact CD-CG1 4.22Å; K21-I25 WeakPolarHBondContact O-CB 3.48Å; K21-I25 WeakPolarHBondContact O-CG1 3.28Å; K21-I25 PolarHBondContact O-N 3.4Å; I25-N27 PolarHBondContact O-N 3.45Å; I25-L28 WeakPolarHBondContact O-CA 3.34Å; I25-L28 WeakPolarHBondContact O-CB 2.86Å; I25-L28 PolarHBondContact O-N 2.99Å; I25-D29 PolarHBondContact O-N 3.45Å |
| 26 | D | 59.7 | Low | 69.5 | Low | 98 Ų | 98 | 97.5 Ų | 97.5 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -26.8 | 178.6 | -62.5 | -17.4 | 0 | 0 | 0 | 111.9 | V22 | V22-D26 VanDerWaalsContact O-CB 3.23Å; V22-D26 WeakPolarHBondContact O-CB 3.41Å; V22-D26 PolarHBondContact O-N 3.41Å |
| 27 | N | 57.9 | Low | 69 | Low | 96 Ų | 96 | 98.4 Ų | 98.4 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -17.7 | 170.7 | -88.8 | -35.8 | 0 | 0 | 0 | 113.9 | F23 I25 | F23-N27 PolarHBondContact O-ND2 3.39Å; F23-N27 VanDerWaalsContact O-ND2 3.16Å; I25-N27 PolarHBondContact O-N 3.45Å |
| 28 | L | 54.1 | Low | 68.7 | Low | 131 Ų | 131 | 97.7 Ų | 97.7 | 69% | 0.686 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -29.8 | 176.8 | -139.8 | 76.2 | 0 | 0 | 0 | 111.8 | L24 I25 T30 S31 | L24-L28 WeakPolarHBondContact O-CB 3.22Å; L24-L28 PolarHBondContact O-N 3.11Å; I25-L28 WeakPolarHBondContact O-CA 3.34Å; I25-L28 WeakPolarHBondContact O-CB 2.86Å; I25-L28 PolarHBondContact O-N 2.99Å; L28-T30 CarbonylContact O-C 3.51Å; L28-T30 PolarHBondContact O-N 3.48Å; L28-S31 PolarHBondContact O-N 2.91Å |
| 29 | D | 52.4 | Low | 68.6 | Low | 118 Ų | 118 | 101.4 Ų | 101.4 | 63% | 0.631 | 52% | 0.521 | S | S | * | . | trans | -69.3 | -6.3 | 177.7 | -74.9 | -21.1 | 0 | 0 | 0 | 113.4 | I25 S31 | I25-D29 PolarHBondContact O-N 3.45Å; D29-S31 PolarHBondContact O-N 2.95Å | ||
| 30 | T | 55.7 | Low | 68.6 | Low | 67 Ų | 67 | 96.8 Ų | 96.8 | 41% | 0.411 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -73.3 | 69.1 | 153.4 | -37.3 | 0 | 0 | 0 | 0 | 108.5 | L28 R35 | L28-T30 CarbonylContact O-C 3.51Å; L28-T30 PolarHBondContact O-N 3.48Å; T30-R35 PolarHBondContact O-NE 2.67Å |
| 31 | S | 61.8 | Low | 68.8 | Low | 50 Ų | 50 | 99.4 Ų | 99.4 | 35% | 0.35 | 52% | 0.515 | S | S | . | . | trans | -51.4 | 148.2 | -163.5 | 73.6 | 0 | 0 | 0 | 0 | 113.3 | L28 D29 A33 N34 R35 | L28-S31 PolarHBondContact O-N 2.91Å; D29-S31 PolarHBondContact O-N 2.95Å; S31-A33 PolarHBondContact O-N 2.91Å; S31-N34 WeakPolarHBondContact O-CB 3.11Å; S31-N34 PolarHBondContact O-N 3.17Å; S31-N34 WeakPolarHBondContact OG-CB 3.15Å; S31-N34 PolarHBondContact OG-N 3.28Å; S31-N34 VanDerWaalsContact OG-N 3.1Å; S31-R35 PolarHBondContact O-N 3.25Å; S31-R35 VanDerWaalsContact O-N 3.14Å | ||
| 32 | A | 61.1 | Low | 69 | Low | 72 Ų | 72 | 99.8 Ų | 99.8 | 60% | 0.595 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -53.7 | -35.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R35 E36 | A32-R35 PolarHBondContact O-N 3.03Å; A32-E36 WeakPolarHBondContact O-CG 3.32Å; A32-E36 PolarHBondContact O-N 2.91Å |
| 33 | A | 61.8 | Low | 69.4 | Low | 57 Ų | 57 | 104.9 Ų | 104.9 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S31 R35 E36 D37 | S31-A33 PolarHBondContact O-N 2.91Å; A33-R35 VanDerWaalsContact C-N 3.3Å; A33-R35 PolarHBondContact O-N 3.36Å; A33-E36 PolarHBondContact O-N 2.91Å; A33-D37 WeakPolarHBondContact O-CB 3.4Å; A33-D37 PolarHBondContact O-N 3.28Å |
| 34 | N | 70.4 | Confident | 69.9 | Low | 76 Ų | 76 | 102.4 Ų | 102.4 | 41% | 0.406 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -37.5 | 176.2 | -168.4 | 0.6 | 0 | 0 | 0 | 111.5 | S31 Q38 | S31-N34 WeakPolarHBondContact O-CB 3.11Å; S31-N34 PolarHBondContact O-N 3.17Å; S31-N34 WeakPolarHBondContact OG-CB 3.15Å; S31-N34 PolarHBondContact OG-N 3.28Å; S31-N34 VanDerWaalsContact OG-N 3.1Å; N34-Q38 WeakPolarHBondContact O-CB 3.32Å; N34-Q38 WeakPolarHBondContact O-CG 2.99Å; N34-Q38 PolarHBondContact O-N 2.99Å |
| 35 | R | 71.1 | Confident | 70.7 | Confident | 137 Ų | 137 | 101.3 Ų | 101.3 | 52% | 0.517 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.4 | -38.5 | 175 | -63.4 | -179.3 | -172.1 | -174.4 | 0.2 | 112.5 | T30 S31 A32 A33 R39 | T30-R35 PolarHBondContact O-NE 2.67Å; S31-R35 PolarHBondContact O-N 3.25Å; S31-R35 VanDerWaalsContact O-N 3.14Å; A32-R35 PolarHBondContact O-N 3.03Å; A33-R35 VanDerWaalsContact C-N 3.3Å; A33-R35 PolarHBondContact O-N 3.36Å; R35-R39 VanDerWaalsContact O-CG 3.26Å; R35-R39 WeakPolarHBondContact O-CG 3.39Å; R35-R39 PolarHBondContact O-N 2.94Å |
| 36 | E | 74.7 | Confident | 71.7 | Confident | 128 Ų | 128 | 103.2 Ų | 103.2 | 60% | 0.598 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.3 | -43.8 | 175.3 | -77.2 | -173.3 | 172.7 | 0 | 0 | 111.8 | A32 A33 Q38 R39 A40 | A32-E36 WeakPolarHBondContact O-CG 3.32Å; A32-E36 PolarHBondContact O-N 2.91Å; A33-E36 PolarHBondContact O-N 2.91Å; E36-Q38 VanDerWaalsContact C-N 3.34Å; E36-Q38 PolarHBondContact O-N 3.43Å; E36-R39 CarbonylContact O-C 3.56Å; E36-R39 PolarHBondContact O-N 2.88Å; E36-R39 VanDerWaalsContact O-N 3.14Å; E36-A40 WeakPolarHBondContact O-CB 3.35Å; E36-A40 PolarHBondContact O-N 3.49Å |
| 37 | D | 80.4 | Confident | 72.3 | Confident | 110 Ų | 110 | 101.9 Ų | 101.9 | 59% | 0.588 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.2 | -44.4 | 174.3 | -76.1 | -15 | 0 | 0 | 0 | 111 | A33 R39 A40 F41 | A33-D37 WeakPolarHBondContact O-CB 3.4Å; A33-D37 PolarHBondContact O-N 3.28Å; D37-R39 PolarHBondContact O-N 3.39Å; D37-A40 PolarHBondContact O-N 2.57Å; D37-F41 VanDerWaalsContact O-CB 3.28Å; D37-F41 WeakPolarHBondContact O-CB 3.37Å; D37-F41 PolarHBondContact O-N 3.37Å |
| 38 | Q | 81.4 | Confident | 73.1 | Confident | 112 Ų | 112 | 102.5 Ų | 102.5 | 52% | 0.523 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 174.1 | -73.9 | -151.6 | -10.5 | 0 | 0 | 112.1 | N34 E36 F41 H42 | N34-Q38 WeakPolarHBondContact O-CB 3.32Å; N34-Q38 WeakPolarHBondContact O-CG 2.99Å; N34-Q38 PolarHBondContact O-N 2.99Å; E36-Q38 VanDerWaalsContact C-N 3.34Å; E36-Q38 PolarHBondContact O-N 3.43Å; Q38-F41 PolarHBondContact O-N 3.45Å; Q38-H42 WeakPolarHBondContact O-CB 3.2Å; Q38-H42 PolarHBondContact O-N 3.02Å; Q38-H42 PolarHBondContact O-ND1 3.37Å |
| 39 | R | 84.6 | Confident | 74.4 | Confident | 166 Ų | 166 | 106.6 Ų | 106.6 | 63% | 0.626 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.5 | -39.5 | 176.4 | -73.6 | 170.2 | -177.9 | -178.4 | 0.2 | 112.2 | R35 E36 D37 H42 R43 | R35-R39 VanDerWaalsContact O-CG 3.26Å; R35-R39 WeakPolarHBondContact O-CG 3.39Å; R35-R39 PolarHBondContact O-N 2.94Å; E36-R39 CarbonylContact O-C 3.56Å; E36-R39 PolarHBondContact O-N 2.88Å; E36-R39 VanDerWaalsContact O-N 3.14Å; D37-R39 PolarHBondContact O-N 3.39Å; R39-H42 PolarHBondContact O-N 3.23Å; R39-R43 WeakPolarHBondContact O-CB 3.45Å; R39-R43 WeakPolarHBondContact O-CG 3.44Å; R39-R43 PolarHBondContact O-N 3.11Å |
| 40 | A | 83.8 | Confident | 75.7 | Confident | 45 Ų | 45 | 104 Ų | 104 | 37% | 0.372 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | E36 D37 R43 M44 | E36-A40 WeakPolarHBondContact O-CB 3.35Å; E36-A40 PolarHBondContact O-N 3.49Å; D37-A40 PolarHBondContact O-N 2.57Å; A40-R43 PolarHBondContact O-N 3.16Å; A40-M44 WeakPolarHBondContact O-CB 3.22Å; A40-M44 PolarHBondContact O-N 2.94Å |
| 41 | F | 82.8 | Confident | 77 | Confident | 117 Ų | 117 | 108.3 Ų | 108.3 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.6 | -47.4 | 174 | -179.5 | -99.8 | 0 | 0 | 0 | 111.9 | D37 Q38 R43 M44 M45 | D37-F41 VanDerWaalsContact O-CB 3.28Å; D37-F41 WeakPolarHBondContact O-CB 3.37Å; D37-F41 PolarHBondContact O-N 3.37Å; Q38-F41 PolarHBondContact O-N 3.45Å; F41-R43 PolarHBondContact O-N 3.24Å; F41-M44 HydrophobicContact CD2-CE 3.69Å; F41-M44 HydrophobicContact CE2-CE 3.76Å; F41-M44 WeakPolarHBondContact O-CB 3.14Å; F41-M44 PolarHBondContact O-N 2.85Å; F41-M45 HydrophobicContact CD1-CG 3.99Å; F41-M45 HydrophobicContact CD2-CG 4.35Å; F41-M45 HydrophobicContact CE1-CG 3.58Å; F41-M45 HydrophobicContact CE1-SD 4.45Å; F41-M45 HydrophobicContact CE2-CG 3.97Å; F41-M45 HydrophobicContact CE2-SD 4.14Å; F41-M45 HydrophobicContact CG-CG 4.36Å; F41-M45 HydrophobicContact CZ-CG 3.57Å; F41-M45 HydrophobicContact CZ-SD 3.86Å; F41-M45 WeakPolarHBondContact O-CB 3.22Å; F41-M45 VanDerWaalsContact O-CG 3.26Å; F41-M45 WeakPolarHBondContact O-CG 3.5Å; F41-M45 PolarHBondContact O-N 3.38Å |
| 42 | H | 83.5 | Confident | 78 | Confident | 111 Ų | 111 | 110.3 Ų | 110.3 | 51% | 0.514 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.3 | -40.1 | 177.3 | -78.3 | 82 | 0 | 0 | 0 | 112.2 | Q38 R39 M45 T46 | Q38-H42 WeakPolarHBondContact O-CB 3.2Å; Q38-H42 PolarHBondContact O-N 3.02Å; Q38-H42 PolarHBondContact O-ND1 3.37Å; R39-H42 PolarHBondContact O-N 3.23Å; H42-M45 PolarHBondContact O-N 2.88Å; H42-T46 WeakPolarHBondContact O-CB 3.43Å; H42-T46 PolarHBondContact O-N 2.99Å; H42-T46 PolarHBondContact O-OG1 3.25Å |
| 43 | R | 83.5 | Confident | 78.9 | Confident | 183 Ų | 183 | 108.3 Ų | 108.3 | 69% | 0.691 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.2 | -46.9 | 174.2 | -78.8 | -173.9 | -70.7 | -176.8 | -0.2 | 111.5 | R39 A40 F41 T46 G47 | R39-R43 WeakPolarHBondContact O-CB 3.45Å; R39-R43 WeakPolarHBondContact O-CG 3.44Å; R39-R43 PolarHBondContact O-N 3.11Å; A40-R43 PolarHBondContact O-N 3.16Å; F41-R43 PolarHBondContact O-N 3.24Å; R43-T46 WeakPolarHBondContact O-CB 3.33Å; R43-T46 PolarHBondContact O-N 3.42Å; R43-G47 PolarHBondContact O-N 3.37Å |
| 44 | M | 81.6 | Confident | 79.2 | Confident | 100 Ų | 100 | 109.9 Ų | 109.9 | 49% | 0.493 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -57.4 | -52 | 174.2 | -179.1 | -163.4 | 74.3 | 0 | 0 | 110.9 | A40 F41 T46 G47 L48 | A40-M44 WeakPolarHBondContact O-CB 3.22Å; A40-M44 PolarHBondContact O-N 2.94Å; F41-M44 HydrophobicContact CD2-CE 3.69Å; F41-M44 HydrophobicContact CE2-CE 3.76Å; F41-M44 WeakPolarHBondContact O-CB 3.14Å; F41-M44 PolarHBondContact O-N 2.85Å; M44-T46 PolarHBondContact O-N 3.45Å; M44-G47 PolarHBondContact O-N 3.42Å; M44-L48 HydrophobicContact CE-CD1 4.27Å; M44-L48 HydrophobicContact CG-CD1 4.17Å; M44-L48 WeakPolarHBondContact O-CG 3.46Å; M44-L48 PolarHBondContact O-N 3.06Å |
| 45 | M | 82.1 | Confident | 79.2 | Confident | 92 Ų | 92 | 113 Ų | 113 | 45% | 0.453 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.4 | -32.4 | 178.8 | -72.5 | -57.4 | -59.8 | 0 | 0 | 113 | F41 H42 L48 | F41-M45 HydrophobicContact CD1-CG 3.99Å; F41-M45 HydrophobicContact CD2-CG 4.35Å; F41-M45 HydrophobicContact CE1-CG 3.58Å; F41-M45 HydrophobicContact CE1-SD 4.45Å; F41-M45 HydrophobicContact CE2-CG 3.97Å; F41-M45 HydrophobicContact CE2-SD 4.14Å; F41-M45 HydrophobicContact CG-CG 4.36Å; F41-M45 HydrophobicContact CZ-CG 3.57Å; F41-M45 HydrophobicContact CZ-SD 3.86Å; F41-M45 WeakPolarHBondContact O-CB 3.22Å; F41-M45 VanDerWaalsContact O-CG 3.26Å; F41-M45 WeakPolarHBondContact O-CG 3.5Å; F41-M45 PolarHBondContact O-N 3.38Å; H42-M45 PolarHBondContact O-N 2.88Å; M45-L48 PolarHBondContact O-N 3.25Å; M45-L48 HydrophobicContact SD-CD1 4.04Å |
| 46 | T | 80.7 | Confident | 79.3 | Confident | 102 Ų | 102 | 108.2 Ų | 108.2 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.8 | -41.9 | 175.1 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | H42 R43 M44 L48 R49 | H42-T46 WeakPolarHBondContact O-CB 3.43Å; H42-T46 PolarHBondContact O-N 2.99Å; H42-T46 PolarHBondContact O-OG1 3.25Å; R43-T46 WeakPolarHBondContact O-CB 3.33Å; R43-T46 PolarHBondContact O-N 3.42Å; M44-T46 PolarHBondContact O-N 3.45Å; T46-L48 PolarHBondContact O-N 3.14Å; T46-R49 WeakPolarHBondContact O-CB 3.44Å; T46-R49 PolarHBondContact O-N 3.49Å |
| 47 | G | 72.5 | Confident | 78.8 | Confident | 70 Ų | 70 | 106.6 Ų | 106.6 | 72% | 0.722 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.6 | -24.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R43 M44 R49 | R43-G47 PolarHBondContact O-N 3.37Å; M44-G47 PolarHBondContact O-N 3.42Å; G47-R49 VanDerWaalsContact C-N 3.3Å; G47-R49 PolarHBondContact O-N 3.21Å |
| 48 | L | 76.2 | Confident | 77.7 | Confident | 109 Ų | 109 | 110.5 Ų | 110.5 | 57% | 0.571 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -5.6 | 176.2 | -66.9 | 171.8 | 0 | 0 | 0 | 113.7 | M44 M45 T46 V50 | M44-L48 HydrophobicContact CE-CD1 4.27Å; M44-L48 HydrophobicContact CG-CD1 4.17Å; M44-L48 WeakPolarHBondContact O-CG 3.46Å; M44-L48 PolarHBondContact O-N 3.06Å; M45-L48 PolarHBondContact O-N 3.25Å; M45-L48 HydrophobicContact SD-CD1 4.04Å; T46-L48 PolarHBondContact O-N 3.14Å; L48-V50 PolarHBondContact O-N 3.15Å; L48-V50 VanDerWaalsContact O-N 3.14Å |
| 49 | R | 80.1 | Confident | 76.9 | Confident | 217 Ų | 217 | 107.8 Ų | 107.8 | 82% | 0.819 | 54% | 0.541 | S | S | * | . | trans | -79 | 102.7 | -176.4 | -171.2 | 177.2 | 179 | 172.9 | -2.1 | 110.3 | T46 G47 | T46-R49 WeakPolarHBondContact O-CB 3.44Å; T46-R49 PolarHBondContact O-N 3.49Å; G47-R49 VanDerWaalsContact C-N 3.3Å; G47-R49 PolarHBondContact O-N 3.21Å | ||
| 50 | V | 80.6 | Confident | 76.1 | Confident | 63 Ų | 63 | 108.8 Ų | 108.8 | 38% | 0.382 | 56% | 0.558 | S | S | . | * | trans | -91.9 | 125.9 | 171.4 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | L48 L84 M88 | L48-V50 PolarHBondContact O-N 3.15Å; L48-V50 VanDerWaalsContact O-N 3.14Å; V50-L84 HydrophobicContact CG1-CG 4.42Å; V50-L84 HydrophobicContact CG2-CD2 4.13Å; V50-M88 HydrophobicContact CB-SD 4.41Å; V50-M88 HydrophobicContact CG1-SD 4.1Å | ||
| 51 | E | 83.2 | Confident | 75.9 | Confident | 158 Ų | 158 | 110.9 Ų | 110.9 | 74% | 0.738 | 56% | 0.56 | S | S | * | * | trans | -78.2 | 124.3 | 171.2 | -169.9 | 175.9 | 170.2 | 0 | 0 | 109.9 | A53 G85 | E51-A53 HydrophobicContact CG-CB 4.18Å; E51-A53 PolarHBondContact O-N 3.02Å; E51-G85 WeakPolarHBondContact O-CA 3.45Å | ||
| 52 | L | 81.4 | Confident | 76.1 | Confident | 91 Ų | 91 | 107.1 Ų | 107.1 | 48% | 0.476 | 55% | 0.548 | S | S | . | . | trans | -79.6 | 52.6 | 178.9 | -60.6 | 179.5 | 0 | 0 | 0 | 111.7 | M88 H89 | L52-M88 HydrophobicContact CD2-CB 3.33Å; L52-M88 HydrophobicContact CD2-CE 3.96Å; L52-M88 HydrophobicContact CD2-CG 4.26Å; L52-M88 HydrophobicContact CD2-SD 4Å; L52-H89 PolarHBondContact O-ND1 2.93Å | ||
| 53 | A | 80.8 | Confident | 76.5 | Confident | 30 Ų | 30 | 103.1 Ų | 103.1 | 25% | 0.248 | 53% | 0.532 | C | S | . | . | trans | -86.2 | 139.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | E51 K55 G85 A86 | E51-A53 HydrophobicContact CG-CB 4.18Å; E51-A53 PolarHBondContact O-N 3.02Å; A53-K55 PolarHBondContact O-N 2.7Å; A53-K55 VanDerWaalsContact O-N 3.15Å; A53-G85 CarbonylContact O-C 3.42Å; A53-A86 VanDerWaalsContact O-CA 3.22Å; A53-A86 WeakPolarHBondContact O-CA 3.47Å; A53-A86 PolarHBondContact O-N 3.19Å | ||
| 54 | P | 68.3 | Low | 76.9 | Confident | 90 Ų | 90 | 95.8 Ų | 95.8 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | trans | -73.6 | 0.5 | 177.8 | 30.7 | -35.8 | 0 | 0 | 0 | 113.7 | L56 | P54-L56 PolarHBondContact O-N 3.44Å; P54-L56 VanDerWaalsContact O-N 3.16Å | ||
| 55 | K | 69.9 | Low | 77.4 | Confident | 142 Ų | 142 | 96 Ų | 96 | 62% | 0.617 | 50% | 0.504 | S | S | * | . | trans | -79.2 | 106.3 | -163.2 | -155.1 | -176.5 | -176.2 | -123.4 | 0 | 110.4 | A53 D57 | A53-K55 PolarHBondContact O-N 2.7Å; A53-K55 VanDerWaalsContact O-N 3.15Å; K55-D57 WeakPolarHBondContact CD-OD1 3.26Å; K55-D57 WeakPolarHBondContact CE-OD1 3.28Å; K55-D57 WeakPolarHBondContact CG-OD1 2.98Å; K55-D57 VanDerWaalsContact NZ-CG 3.29Å; K55-D57 IonicContact NZ-OD1 2.7Å; K55-D57 PolarHBondContact NZ-OD1 2.81Å; K55-D57 IonicContact NZ-OD2 3.02Å; K55-D57 PolarHBondContact NZ-OD2 3.45Å | ||
| 56 | L | 73.1 | Confident | 77.8 | Confident | 36 Ų | 36 | 92.2 Ų | 92.2 | 19% | 0.188 | 49% | 0.486 | C | S | . | . | trans | -97.1 | 107.7 | 162 | -68.3 | 174.5 | 0 | 0 | 0 | 106.7 | P54 H58 T59 P63 I66 E83 A86 | P54-L56 PolarHBondContact O-N 3.44Å; P54-L56 VanDerWaalsContact O-N 3.16Å; L56-H58 PolarHBondContact O-N 2.91Å; L56-T59 HydrophobicContact CB-CG2 4.47Å; L56-P63 HydrophobicContact CD1-CB 4.28Å; L56-P63 HydrophobicContact CD1-CG 3.77Å; L56-I66 HydrophobicContact CD1-CD1 3.77Å; L56-I66 HydrophobicContact CD2-CD1 3.57Å; L56-I66 HydrophobicContact CG-CD1 4.21Å; L56-E83 HydrophobicContact CD2-CB 3.78Å; L56-E83 HydrophobicContact CD2-CG 3.87Å; L56-A86 HydrophobicContact CD2-CB 3.62Å; L56-A86 HydrophobicContact CG-CB 3.81Å | ||
| 57 | D | 63.8 | Low | 78.4 | Confident | 94 Ų | 94 | 88.4 Ų | 88.4 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 124 | 179.3 | -80.2 | -22.1 | 0 | 0 | 0 | 109.3 | K55 T59 | K55-D57 WeakPolarHBondContact CD-OD1 3.26Å; K55-D57 WeakPolarHBondContact CE-OD1 3.28Å; K55-D57 WeakPolarHBondContact CG-OD1 2.98Å; K55-D57 VanDerWaalsContact NZ-CG 3.29Å; K55-D57 IonicContact NZ-OD1 2.7Å; K55-D57 PolarHBondContact NZ-OD1 2.81Å; K55-D57 IonicContact NZ-OD2 3.02Å; K55-D57 PolarHBondContact NZ-OD2 3.45Å; D57-T59 WeakPolarHBondContact O-CG2 3.45Å; D57-T59 PolarHBondContact O-N 3.31Å |
| 58 | H | 57.8 | Low | 79.3 | Confident | 193 Ų | 193 | 88.5 Ų | 88.5 | 89% | 0.894 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 33.5 | 168.9 | -50.4 | -68.5 | 0 | 0 | 0 | 117.7 | L56 | L56-H58 PolarHBondContact O-N 2.91Š|
| 59 | T | 64.3 | Low | 80.1 | Confident | 54 Ų | 54 | 89.2 Ų | 89.2 | 33% | 0.331 | 46% | 0.459 | S | S | . | . | trans | -137.4 | 137.6 | 175.5 | 125.2 | 0 | 0 | 0 | 0 | 112 | L56 D57 Q61 I66 | L56-T59 HydrophobicContact CB-CG2 4.47Å; D57-T59 WeakPolarHBondContact O-CG2 3.45Å; D57-T59 PolarHBondContact O-N 3.31Å; T59-Q61 WeakPolarHBondContact OG1-CA 3.38Å; T59-Q61 VanDerWaalsContact OG1-CB 3.28Å; T59-Q61 WeakPolarHBondContact OG1-CB 3.34Å; T59-Q61 PolarHBondContact OG1-N 3.29Å; T59-I66 HydrophobicContact CG2-CD1 4.27Å | ||
| 60 | L | 68.6 | Low | 80.8 | Confident | 188 Ų | 188 | 80.6 Ų | 80.6 | 98% | 0.984 | 43% | 0.427 | S | S | * | . | trans | -84.7 | 1.3 | 165.7 | -67.3 | 174.4 | 0 | 0 | 0 | 111.8 | ||||
| 61 | Q | 78.9 | Confident | 81.5 | Confident | 88 Ų | 88 | 82 Ų | 82 | 41% | 0.411 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -76.5 | 145.6 | -176.6 | -60.1 | 178.9 | -33.1 | 0 | 0 | 110.1 | T59 I66 | T59-Q61 WeakPolarHBondContact OG1-CA 3.38Å; T59-Q61 VanDerWaalsContact OG1-CB 3.28Å; T59-Q61 WeakPolarHBondContact OG1-CB 3.34Å; T59-Q61 PolarHBondContact OG1-N 3.29Å; Q61-I66 HydrophobicContact CB-CD1 4.47Å; Q61-I66 HydrophobicContact CB-CG1 4.14Å |
| 62 | S | 87.9 | Confident | 82.1 | Confident | 39 Ų | 39 | 77.7 Ų | 77.7 | 27% | 0.273 | 42% | 0.419 | S | S | . | . | trans | -66.5 | 149 | 172 | 67.7 | 0 | 0 | 0 | 0 | 110.5 | W64 E65 I66 | S62-W64 PolarHBondContact O-N 3.29Å; S62-E65 PolarHBondContact N-OE2 3.44Å; S62-E65 PolarHBondContact O-N 2.98Å; S62-E65 VanDerWaalsContact OG-CD 3.22Å; S62-E65 VanDerWaalsContact OG-CG 3.22Å; S62-E65 WeakPolarHBondContact OG-CG 3.41Å; S62-E65 PolarHBondContact OG-N 2.86Å; S62-E65 PolarHBondContact OG-OE2 2.68Å; S62-I66 PolarHBondContact O-N 2.85Å | ||
| 63 | P | 90.8 | Very high | 82.8 | Confident | 26 Ų | 26 | 79.9 Ų | 79.9 | 17% | 0.169 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -53.3 | -28.9 | 172.9 | -22 | 27.6 | 0 | 0 | 0 | 113 | L56 A67 V87 A90 | L56-P63 HydrophobicContact CD1-CB 4.28Å; L56-P63 HydrophobicContact CD1-CG 3.77Å; P63-A67 WeakPolarHBondContact O-CB 3.38Å; P63-A67 PolarHBondContact O-N 3.46Å; P63-V87 HydrophobicContact CB-CG2 3.94Å; P63-V87 WeakPolarHBondContact O-CG2 3.23Å; P63-A90 HydrophobicContact CB-CB 4.43Å; P63-A90 HydrophobicContact CG-CB 4.16Å |
| 64 | W | 92.1 | Very high | 83.6 | Confident | 29 Ų | 29 | 90 Ų | 90 | 11% | 0.11 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -71.3 | -39.8 | 179.7 | -43.8 | 133.7 | 0 | 0 | 0 | 113.1 | S62 A67 A68 V87 A90 M91 K94 L114 Q118 | S62-W64 PolarHBondContact O-N 3.29Å; W64-A67 PolarHBondContact O-N 2.8Å; W64-A68 WeakPolarHBondContact O-CB 3.5Å; W64-A68 PolarHBondContact O-N 3.42Å; W64-V87 HydrophobicContact CE3-CG1 4.23Å; W64-V87 HydrophobicContact CZ3-CG1 3.83Å; W64-A90 HydrophobicContact CH2-CB 3.44Å; W64-A90 VanDerWaalsContact CH2-CB 3.44Å; W64-A90 HydrophobicContact CZ2-CB 3.61Å; W64-A90 HydrophobicContact CZ3-CB 4.2Å; W64-M91 HydrophobicContact CH2-CB 4.49Å; W64-M91 HydrophobicContact CH2-CG 3.72Å; W64-M91 HydrophobicContact CZ3-CG 3.8Å; W64-K94 HydrophobicContact CZ2-CG 4.3Å; W64-L114 HydrophobicContact CH2-CD1 4.19Å; W64-L114 HydrophobicContact CZ2-CD1 4.07Å; W64-Q118 HydrophobicContact CD2-CB 3.79Å; W64-Q118 HydrophobicContact CD2-CG 3.62Å; W64-Q118 HydrophobicContact CE3-CG 3.89Å; W64-Q118 HydrophobicContact CG-CB 3.85Å; W64-Q118 HydrophobicContact CG-CG 4.02Å; W64-Q118 HydrophobicContact CH2-CG 4.29Å; W64-Q118 HydrophobicContact CZ2-CB 4.09Å; W64-Q118 HydrophobicContact CZ2-CG 4.06Å; W64-Q118 HydrophobicContact CZ3-CG 4.22Å |
| 65 | E | 91.7 | Very high | 84.8 | Confident | 104 Ų | 104 | 90.1 Ų | 90.1 | 49% | 0.486 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.1 | -38.2 | 177 | -74.6 | 160.5 | 152.4 | 0 | 0 | 111.3 | S62 A68 Q69 | S62-E65 PolarHBondContact N-OE2 3.44Å; S62-E65 PolarHBondContact O-N 2.98Å; S62-E65 VanDerWaalsContact OG-CD 3.22Å; S62-E65 VanDerWaalsContact OG-CG 3.22Å; S62-E65 WeakPolarHBondContact OG-CG 3.41Å; S62-E65 PolarHBondContact OG-N 2.86Å; S62-E65 PolarHBondContact OG-OE2 2.68Å; E65-A68 PolarHBondContact O-N 3.38Å; E65-Q69 WeakPolarHBondContact O-CG 3.49Å; E65-Q69 PolarHBondContact O-N 3.25Å; E65-Q69 PolarHBondContact O-NE2 3.23Å |
| 66 | I | 90.8 | Very high | 86 | Confident | 13 Ų | 13 | 88.2 Ų | 88.2 | 7% | 0.067 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -62.1 | -50.2 | 173.1 | -61.5 | 172.1 | 0 | 0 | 0 | 109.3 | L56 T59 Q61 S62 A68 Q69 W70 E83 | L56-I66 HydrophobicContact CD1-CD1 3.77Å; L56-I66 HydrophobicContact CD2-CD1 3.57Å; L56-I66 HydrophobicContact CG-CD1 4.21Å; T59-I66 HydrophobicContact CG2-CD1 4.27Å; Q61-I66 HydrophobicContact CB-CD1 4.47Å; Q61-I66 HydrophobicContact CB-CG1 4.14Å; S62-I66 PolarHBondContact O-N 2.85Å; I66-A68 VanDerWaalsContact C-N 3.28Å; I66-A68 PolarHBondContact O-N 3.14Å; I66-Q69 WeakPolarHBondContact O-CB 3.42Å; I66-Q69 PolarHBondContact O-N 3.01Å; I66-Q69 VanDerWaalsContact O-N 3.08Å; I66-W70 HydrophobicContact CG2-CZ2 3.83Å; I66-W70 PolarHBondContact O-NE1 2.87Å; I66-E83 HydrophobicContact CG2-CB 4.15Å; I66-E83 HydrophobicContact CG2-CG 4.22Å |
| 67 | A | 92.8 | Very high | 86.8 | Confident | 23 Ų | 23 | 92.4 Ų | 92.4 | 19% | 0.19 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -59.4 | -36.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P63 W64 Q69 W70 V87 | P63-A67 WeakPolarHBondContact O-CB 3.38Å; P63-A67 PolarHBondContact O-N 3.46Å; W64-A67 PolarHBondContact O-N 2.8Å; A67-Q69 VanDerWaalsContact C-N 3.27Å; A67-Q69 PolarHBondContact O-N 3.1Å; A67-W70 HydrophobicContact CB-CD2 4.4Å; A67-W70 HydrophobicContact CB-CE3 3.92Å; A67-W70 HydrophobicContact CB-CH2 4.04Å; A67-W70 HydrophobicContact CB-CZ2 4.48Å; A67-W70 HydrophobicContact CB-CZ3 3.73Å; A67-W70 WeakPolarHBondContact O-CB 3.48Å; A67-W70 PolarHBondContact O-N 2.85Å; A67-V87 HydrophobicContact CB-CG1 4.48Å; A67-V87 HydrophobicContact CB-CG2 4.11Å |
| 68 | A | 93 | Very high | 88 | Confident | 71 Ų | 71 | 90 Ų | 90 | 59% | 0.587 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.7 | -27.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | W64 E65 I66 W70 | W64-A68 WeakPolarHBondContact O-CB 3.5Å; W64-A68 PolarHBondContact O-N 3.42Å; E65-A68 PolarHBondContact O-N 3.38Å; I66-A68 VanDerWaalsContact C-N 3.28Å; I66-A68 PolarHBondContact O-N 3.14Å; A68-W70 VanDerWaalsContact C-N 3.29Å |
| 69 | Q | 92.6 | Very high | 89.3 | Confident | 125 Ų | 125 | 89.6 Ų | 89.6 | 58% | 0.584 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -76.7 | -16.5 | 179.4 | -68.2 | 167.6 | 26.1 | 0 | 0 | 113.2 | E65 I66 A67 V71 | E65-Q69 WeakPolarHBondContact O-CG 3.49Å; E65-Q69 PolarHBondContact O-N 3.25Å; E65-Q69 PolarHBondContact O-NE2 3.23Å; I66-Q69 WeakPolarHBondContact O-CB 3.42Å; I66-Q69 PolarHBondContact O-N 3.01Å; I66-Q69 VanDerWaalsContact O-N 3.08Å; A67-Q69 VanDerWaalsContact C-N 3.27Å; A67-Q69 PolarHBondContact O-N 3.1Å; Q69-V71 VanDerWaalsContact C-N 3.31Å; Q69-V71 PolarHBondContact O-N 2.99Å |
| 70 | W | 94.4 | Very high | 90.2 | Very high | 36 Ų | 36 | 94.8 Ų | 94.8 | 14% | 0.136 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -22.7 | -178.8 | -62.8 | -19.6 | 0 | 0 | 0 | 114.4 | I66 A67 A68 V72 T81 E83 L84 V87 | I66-W70 HydrophobicContact CG2-CZ2 3.83Å; I66-W70 PolarHBondContact O-NE1 2.87Å; A67-W70 HydrophobicContact CB-CD2 4.4Å; A67-W70 HydrophobicContact CB-CE3 3.92Å; A67-W70 HydrophobicContact CB-CH2 4.04Å; A67-W70 HydrophobicContact CB-CZ2 4.48Å; A67-W70 HydrophobicContact CB-CZ3 3.73Å; A67-W70 WeakPolarHBondContact O-CB 3.48Å; A67-W70 PolarHBondContact O-N 2.85Å; A68-W70 VanDerWaalsContact C-N 3.29Å; W70-V72 PolarHBondContact O-N 3.21Å; W70-T81 HydrophobicContact CD2-CG2 4.09Å; W70-T81 HydrophobicContact CE3-CG2 4.27Å; W70-T81 HydrophobicContact CH2-CG2 3.53Å; W70-T81 HydrophobicContact CZ2-CG2 3.32Å; W70-T81 HydrophobicContact CZ3-CG2 4.01Å; W70-E83 HydrophobicContact CZ2-CB 4.1Å; W70-L84 HydrophobicContact CH2-CD1 4.4Å; W70-L84 HydrophobicContact CZ3-CD1 4.24Å; W70-V87 HydrophobicContact CH2-CB 4.4Å; W70-V87 HydrophobicContact CH2-CG2 3.61Å; W70-V87 HydrophobicContact CZ2-CG2 4.35Å; W70-V87 HydrophobicContact CZ3-CG2 4.33Å |
| 71 | V | 95.3 | Very high | 91 | Very high | 91 Ų | 91 | 86.7 Ų | 86.7 | 55% | 0.552 | 45% | 0.445 | S | S | * | . | trans | -76.3 | 115.2 | -171.3 | -176.8 | 0 | 0 | 0 | 0 | 110 | Q69 | Q69-V71 VanDerWaalsContact C-N 3.31Å; Q69-V71 PolarHBondContact O-N 2.99Å | ||
| 72 | V | 94.8 | Very high | 91.2 | Very high | 69 Ų | 69 | 87.6 Ų | 87.6 | 42% | 0.418 | 46% | 0.458 | S | S | . | . | B | Isolated β-bridge | trans | -125.4 | 173.5 | 169.9 | -57.8 | 0 | 0 | 0 | 0 | 109.5 | W70 R74 E75 | W70-V72 PolarHBondContact O-N 3.21Å; V72-R74 PolarHBondContact O-N 2.94Å; V72-E75 HydrophobicContact CG2-CG 3.44Å; V72-E75 VanDerWaalsContact CG2-CG 3.44Å; V72-E75 WeakPolarHBondContact CG2-OE1 3.32Å; V72-E75 PolarHBondContact N-O 3.47Å; V72-E75 VanDerWaalsContact N-O 3.08Å; V72-E75 PolarHBondContact O-N 3.14Å |
| 73 | P | 97.3 | Very high | 91.3 | Very high | 137 Ų | 137 | 89 Ų | 89 | 89% | 0.89 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -18.2 | -169.6 | -29.5 | 37.2 | 0 | 0 | 0 | 116.5 | ||
| 74 | R | 96.7 | Very high | 91.3 | Very high | 243 Ų | 243 | 89.7 Ų | 89.7 | 92% | 0.917 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | -2 | -173.5 | -68.5 | -169.1 | 60.2 | -172.6 | -5.9 | 115 | V72 | V72-R74 PolarHBondContact O-N 2.94Š|
| 75 | E | 94.1 | Very high | 91.2 | Very high | 91 Ų | 91 | 88.4 Ų | 88.4 | 43% | 0.425 | 46% | 0.458 | S | S | . | . | B | Isolated β-bridge | trans | -150 | 149.4 | 178.4 | 76.2 | -155 | 155.8 | 0 | 0 | 110.4 | V72 | V72-E75 HydrophobicContact CG2-CG 3.44Å; V72-E75 VanDerWaalsContact CG2-CG 3.44Å; V72-E75 WeakPolarHBondContact CG2-OE1 3.32Å; V72-E75 PolarHBondContact N-O 3.47Å; V72-E75 VanDerWaalsContact N-O 3.08Å; V72-E75 PolarHBondContact O-N 3.14Å |
| 76 | V | 94.5 | Very high | 91.2 | Very high | 102 Ų | 102 | 83.7 Ų | 83.7 | 62% | 0.618 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -100.4 | -20 | 176.8 | -71.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 77 | Y | 91.5 | Very high | 91.3 | Very high | 125 Ų | 125 | 83.7 Ų | 83.7 | 49% | 0.49 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -154.6 | 148.9 | 167.6 | 62.9 | -86.4 | 0 | 0 | 0 | 109.6 | ||
| 78 | P | 88.4 | Confident | 91.3 | Very high | 42 Ų | 42 | 86.5 Ų | 86.5 | 27% | 0.273 | 45% | 0.448 | S | S | . | . | trans | -61.8 | 154.8 | 174.9 | -22.6 | 31.6 | 0 | 0 | 0 | 112.9 | E80 T81 | P78-E80 VanDerWaalsContact C-N 3.28Å; P78-E80 PolarHBondContact O-N 2.72Å; P78-T81 WeakPolarHBondContact CD-OG1 3.46Å; P78-T81 PolarHBondContact O-OG1 2.78Å | ||
| 79 | E | 84.3 | Confident | 91.3 | Very high | 185 Ų | 185 | 85.7 Ų | 85.7 | 86% | 0.864 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -57.1 | -44.3 | 173.6 | -173.8 | 170.6 | -166.2 | 0 | 0 | 111.7 | ||
| 80 | E | 83.6 | Confident | 91.4 | Very high | 164 Ų | 164 | 80 Ų | 80 | 77% | 0.766 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -97.2 | 96.3 | 174.6 | -63.7 | -62.6 | 160 | 0 | 0 | 110.1 | P78 | P78-E80 VanDerWaalsContact C-N 3.28Å; P78-E80 PolarHBondContact O-N 2.72Å |
| 81 | T | 86.3 | Confident | 91.4 | Very high | 18 Ų | 18 | 83.4 Ų | 83.4 | 11% | 0.11 | 43% | 0.425 | C | S | . | . | trans | -124.7 | 80.8 | -179.1 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | W70 P78 E83 L84 | W70-T81 HydrophobicContact CD2-CG2 4.09Å; W70-T81 HydrophobicContact CE3-CG2 4.27Å; W70-T81 HydrophobicContact CH2-CG2 3.53Å; W70-T81 HydrophobicContact CZ2-CG2 3.32Å; W70-T81 HydrophobicContact CZ3-CG2 4.01Å; P78-T81 WeakPolarHBondContact CD-OG1 3.46Å; P78-T81 PolarHBondContact O-OG1 2.78Å; T81-E83 PolarHBondContact O-N 2.89Å; T81-L84 HydrophobicContact CG2-CB 3.84Å; T81-L84 WeakPolarHBondContact O-CB 3.26Å; T81-L84 PolarHBondContact O-N 3.17Å; T81-L84 VanDerWaalsContact O-N 3.11Å | ||
| 82 | P | 83.4 | Confident | 91.4 | Very high | 107 Ų | 107 | 82.9 Ų | 82.9 | 70% | 0.695 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -28.2 | -177.6 | 23.3 | -31 | 0 | 0 | 0 | 113.1 | L84 | P82-L84 VanDerWaalsContact C-N 3.25Å; P82-L84 PolarHBondContact O-N 2.84Å |
| 83 | E | 88.6 | Confident | 91.4 | Very high | 67 Ų | 67 | 83.7 Ų | 83.7 | 31% | 0.313 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -7.7 | 179.5 | -52.9 | 83 | 177.3 | 0 | 0 | 113.1 | L56 I66 W70 T81 G85 A86 V87 | L56-E83 HydrophobicContact CD2-CB 3.78Å; L56-E83 HydrophobicContact CD2-CG 3.87Å; I66-E83 HydrophobicContact CG2-CB 4.15Å; I66-E83 HydrophobicContact CG2-CG 4.22Å; W70-E83 HydrophobicContact CZ2-CB 4.1Å; T81-E83 PolarHBondContact O-N 2.89Å; E83-G85 PolarHBondContact O-N 3.43Å; E83-A86 WeakPolarHBondContact O-CB 3.36Å; E83-A86 PolarHBondContact O-N 3.31Å; E83-V87 PolarHBondContact O-N 3.25Å; E83-V87 VanDerWaalsContact O-N 3.17Å |
| 84 | L | 90.2 | Very high | 91.3 | Very high | 41 Ų | 41 | 81 Ų | 81 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -58 | -37 | 178.3 | -178.6 | 59.4 | 0 | 0 | 0 | 111.5 | V50 W70 T81 P82 A86 V87 M88 | V50-L84 HydrophobicContact CG1-CG 4.42Å; V50-L84 HydrophobicContact CG2-CD2 4.13Å; W70-L84 HydrophobicContact CH2-CD1 4.4Å; W70-L84 HydrophobicContact CZ3-CD1 4.24Å; T81-L84 HydrophobicContact CG2-CB 3.84Å; T81-L84 WeakPolarHBondContact O-CB 3.26Å; T81-L84 PolarHBondContact O-N 3.17Å; T81-L84 VanDerWaalsContact O-N 3.11Å; P82-L84 VanDerWaalsContact C-N 3.25Å; P82-L84 PolarHBondContact O-N 2.84Å; L84-A86 VanDerWaalsContact C-N 3.29Å; L84-A86 PolarHBondContact O-N 3.49Å; L84-V87 PolarHBondContact O-N 3.04Å; L84-M88 HydrophobicContact CD1-CG 4.24Å; L84-M88 HydrophobicContact CG-CG 4.35Å; L84-M88 HydrophobicContact CG-SD 4.14Å; L84-M88 WeakPolarHBondContact O-CG 3.38Å; L84-M88 PolarHBondContact O-N 3.46Å |
| 85 | G | 90.7 | Very high | 91.3 | Very high | 3 Ų | 3 | 76.5 Ų | 76.5 | 3% | 0.031 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -56.7 | -41.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | E51 A53 E83 H89 | E51-G85 WeakPolarHBondContact O-CA 3.45Å; A53-G85 CarbonylContact O-C 3.42Å; E83-G85 PolarHBondContact O-N 3.43Å; G85-H89 WeakPolarHBondContact O-CB 3.46Å; G85-H89 PolarHBondContact O-N 2.91Å |
| 86 | A | 91.4 | Very high | 91.5 | Very high | 5 Ų | 5 | 76.5 Ų | 76.5 | 4% | 0.041 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -70.8 | -38.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A53 L56 E83 L84 H89 A90 | A53-A86 VanDerWaalsContact O-CA 3.22Å; A53-A86 WeakPolarHBondContact O-CA 3.47Å; A53-A86 PolarHBondContact O-N 3.19Å; L56-A86 HydrophobicContact CD2-CB 3.62Å; L56-A86 HydrophobicContact CG-CB 3.81Å; E83-A86 WeakPolarHBondContact O-CB 3.36Å; E83-A86 PolarHBondContact O-N 3.31Å; L84-A86 VanDerWaalsContact C-N 3.29Å; L84-A86 PolarHBondContact O-N 3.49Å; A86-H89 PolarHBondContact O-N 2.9Å; A86-A90 WeakPolarHBondContact O-CB 3.45Å; A86-A90 PolarHBondContact O-N 2.89Å |
| 87 | V | 92.7 | Very high | 91.7 | Very high | 13 Ų | 13 | 75.9 Ų | 75.9 | 8% | 0.079 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.8 | -48.5 | 174.2 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | P63 W64 A67 W70 E83 L84 A90 M91 | P63-V87 HydrophobicContact CB-CG2 3.94Å; P63-V87 WeakPolarHBondContact O-CG2 3.23Å; W64-V87 HydrophobicContact CE3-CG1 4.23Å; W64-V87 HydrophobicContact CZ3-CG1 3.83Å; A67-V87 HydrophobicContact CB-CG1 4.48Å; A67-V87 HydrophobicContact CB-CG2 4.11Å; W70-V87 HydrophobicContact CH2-CB 4.4Å; W70-V87 HydrophobicContact CH2-CG2 3.61Å; W70-V87 HydrophobicContact CZ2-CG2 4.35Å; W70-V87 HydrophobicContact CZ3-CG2 4.33Å; E83-V87 PolarHBondContact O-N 3.25Å; E83-V87 VanDerWaalsContact O-N 3.17Å; L84-V87 PolarHBondContact O-N 3.04Å; V87-A90 PolarHBondContact O-N 2.9Å; V87-M91 WeakPolarHBondContact O-CG 3.27Å; V87-M91 PolarHBondContact O-N 3.49Å |
| 88 | M | 93.5 | Very high | 92 | Very high | 81 Ų | 81 | 76.6 Ų | 76.6 | 40% | 0.399 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 177.7 | -68.1 | -179.1 | 74.6 | 0 | 0 | 111.9 | V50 L52 L84 M91 A92 | V50-M88 HydrophobicContact CB-SD 4.41Å; V50-M88 HydrophobicContact CG1-SD 4.1Å; L52-M88 HydrophobicContact CD2-CB 3.33Å; L52-M88 HydrophobicContact CD2-CE 3.96Å; L52-M88 HydrophobicContact CD2-CG 4.26Å; L52-M88 HydrophobicContact CD2-SD 4Å; L84-M88 HydrophobicContact CD1-CG 4.24Å; L84-M88 HydrophobicContact CG-CG 4.35Å; L84-M88 HydrophobicContact CG-SD 4.14Å; L84-M88 WeakPolarHBondContact O-CG 3.38Å; L84-M88 PolarHBondContact O-N 3.46Å; M88-M91 PolarHBondContact O-N 3.23Å; M88-A92 WeakPolarHBondContact O-CB 3.43Å; M88-A92 PolarHBondContact O-N 2.91Å |
| 89 | H | 93.4 | Very high | 92.3 | Very high | 54 Ų | 54 | 78.2 Ų | 78.2 | 25% | 0.25 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 173.8 | -176.4 | 91 | 0 | 0 | 0 | 110.8 | L52 G85 A86 M91 A92 T93 | L52-H89 PolarHBondContact O-ND1 2.93Å; G85-H89 WeakPolarHBondContact O-CB 3.46Å; G85-H89 PolarHBondContact O-N 2.91Å; A86-H89 PolarHBondContact O-N 2.9Å; H89-M91 VanDerWaalsContact C-N 3.34Å; H89-M91 PolarHBondContact O-N 2.98Å; H89-A92 PolarHBondContact O-N 3.01Å; H89-A92 VanDerWaalsContact O-N 3.11Å; H89-T93 PolarHBondContact O-N 3.28Å; H89-T93 PolarHBondContact O-OG1 3.27Å |
| 90 | A | 93.8 | Very high | 92.7 | Very high | 6 Ų | 6 | 73.1 Ų | 73.1 | 5% | 0.05 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | P63 W64 A86 V87 A92 T93 K94 | P63-A90 HydrophobicContact CB-CB 4.43Å; P63-A90 HydrophobicContact CG-CB 4.16Å; W64-A90 HydrophobicContact CH2-CB 3.44Å; W64-A90 VanDerWaalsContact CH2-CB 3.44Å; W64-A90 HydrophobicContact CZ2-CB 3.61Å; W64-A90 HydrophobicContact CZ3-CB 4.2Å; A86-A90 WeakPolarHBondContact O-CB 3.45Å; A86-A90 PolarHBondContact O-N 2.89Å; V87-A90 PolarHBondContact O-N 2.9Å; A90-A92 VanDerWaalsContact C-N 3.26Å; A90-A92 PolarHBondContact O-N 3.38Å; A90-T93 PolarHBondContact O-N 3.47Å; A90-K94 HydrophobicContact CB-CG 4.09Å; A90-K94 WeakPolarHBondContact O-CB 3.32Å; A90-K94 WeakPolarHBondContact O-CG 3.41Å; A90-K94 PolarHBondContact O-N 3.16Å |
| 91 | M | 94.7 | Very high | 92.8 | Very high | 108 Ų | 108 | 69.6 Ų | 69.6 | 53% | 0.532 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.8 | -34.7 | 174.5 | -72.3 | 179.9 | 67 | 0 | 0 | 112.2 | W64 V87 M88 H89 V120 | W64-M91 HydrophobicContact CH2-CB 4.49Å; W64-M91 HydrophobicContact CH2-CG 3.72Å; W64-M91 HydrophobicContact CZ3-CG 3.8Å; V87-M91 WeakPolarHBondContact O-CG 3.27Å; V87-M91 PolarHBondContact O-N 3.49Å; M88-M91 PolarHBondContact O-N 3.23Å; H89-M91 VanDerWaalsContact C-N 3.34Å; H89-M91 PolarHBondContact O-N 2.98Å; M91-V120 HydrophobicContact CE-CG1 4.43Å |
| 92 | A | 94.8 | Very high | 92.3 | Very high | 79 Ų | 79 | 70 Ų | 70 | 65% | 0.653 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -78.9 | -29.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | M88 H89 A90 | M88-A92 WeakPolarHBondContact O-CB 3.43Å; M88-A92 PolarHBondContact O-N 2.91Å; H89-A92 PolarHBondContact O-N 3.01Å; H89-A92 VanDerWaalsContact O-N 3.11Å; A90-A92 VanDerWaalsContact C-N 3.26Å; A90-A92 PolarHBondContact O-N 3.38Å |
| 93 | T | 94.6 | Very high | 91.6 | Very high | 86 Ų | 86 | 74 Ų | 74 | 53% | 0.528 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -117.7 | -21.5 | -168.5 | 63.3 | 0 | 0 | 0 | 0 | 115 | H89 A90 K95 | H89-T93 PolarHBondContact O-N 3.28Å; H89-T93 PolarHBondContact O-OG1 3.27Å; A90-T93 PolarHBondContact O-N 3.47Å; T93-K95 PolarHBondContact O-N 2.89Å |
| 94 | K | 95.6 | Very high | 91.1 | Very high | 80 Ų | 80 | 79.4 Ų | 79.4 | 35% | 0.348 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -64.1 | 138.6 | -177.4 | -77.4 | -80.7 | 174.1 | -180 | 0 | 111.5 | W64 A90 I96 L114 E115 | W64-K94 HydrophobicContact CZ2-CG 4.3Å; A90-K94 HydrophobicContact CB-CG 4.09Å; A90-K94 WeakPolarHBondContact O-CB 3.32Å; A90-K94 WeakPolarHBondContact O-CG 3.41Å; A90-K94 PolarHBondContact O-N 3.16Å; K94-I96 PolarHBondContact O-N 2.84Å; K94-L114 HydrophobicContact CB-CB 4.08Å; K94-L114 HydrophobicContact CB-CD1 4.27Å; K94-E115 HydrophobicContact CD-CB 4.19Å; K94-E115 IonicContact NZ-OE2 2.91Å; K94-E115 PolarHBondContact NZ-OE2 3.44Å |
| 95 | K | 97.7 | Very high | 90.8 | Very high | 150 Ų | 150 | 80.7 Ų | 80.7 | 65% | 0.652 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -62 | 132.8 | 177.9 | -177.7 | 175.7 | 179.8 | -179.3 | 0 | 110.5 | T93 I97 L114 E115 | T93-K95 PolarHBondContact O-N 2.89Å; K95-I97 PolarHBondContact O-N 3.33Å; K95-L114 CarbonylContact O-C 3.58Å; K95-L114 WeakPolarHBondContact O-CA 3.21Å; K95-E115 HydrophobicContact CB-CB 4.47Å; K95-E115 PolarHBondContact O-N 3.09Å |
| 96 | I | 98.1 | Very high | 90.7 | Very high | 91 Ų | 91 | 87.5 Ų | 87.5 | 47% | 0.467 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 122.6 | 168.8 | -59.2 | 162 | 0 | 0 | 0 | 108.1 | K94 K98 L112 L114 | K94-I96 PolarHBondContact O-N 2.84Å; I96-K98 WeakPolarHBondContact CG2-O 3.2Å; I96-L112 HydrophobicContact CD1-CD1 3.78Å; I96-L112 HydrophobicContact CG1-CD1 4.21Å; I96-L112 HydrophobicContact CG2-CB 4.31Å; I96-L112 HydrophobicContact CG2-CD2 4.23Å; I96-L114 HydrophobicContact CG1-CD2 3.9Å |
| 97 | I | 98.1 | Very high | 90.7 | Very high | 89 Ų | 89 | 93 Ų | 93 | 46% | 0.456 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -24.3 | 179.8 | 60.8 | 166.7 | 0 | 0 | 0 | 113 | K95 I113 E115 | K95-I97 PolarHBondContact O-N 3.33Å; I97-I113 HydrophobicContact CD1-CG2 3.98Å; I97-I113 HydrophobicContact CG1-CB 4.15Å; I97-I113 HydrophobicContact CG1-CG2 3.94Å; I97-I113 WeakPolarHBondContact CG1-O 3.2Å; I97-I113 PolarHBondContact N-O 3.39Å; I97-E115 HydrophobicContact CG2-CB 4.3Å |
| 98 | K | 97.6 | Very high | 90.6 | Very high | 140 Ų | 140 | 99 Ų | 99 | 61% | 0.609 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 152.8 | 174.1 | -60.5 | -178.9 | 176 | 177.4 | 0 | 110.5 | I96 I113 | I96-K98 WeakPolarHBondContact CG2-O 3.2Å; K98-I113 HydrophobicContact CB-CB 4.03Å; K98-I113 HydrophobicContact CB-CD1 4.08Å; K98-I113 HydrophobicContact CB-CG1 4.1Å; K98-I113 HydrophobicContact CD-CD1 4.11Å; K98-I113 PolarHBondContact N-O 3.49Å; K98-I113 PolarHBondContact O-N 2.91Å |
| 99 | A | 95.9 | Very high | 90.7 | Very high | 76 Ų | 76 | 98 Ų | 98 | 63% | 0.628 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 141.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | L111 L112 | A99-L111 CarbonylContact C-O 3.39Å; A99-L111 WeakPolarHBondContact CA-O 3.35Å; A99-L112 HydrophobicContact CB-CD2 3.78Å |
| 100 | D | 92.8 | Very high | 90.7 | Very high | 78 Ų | 78 | 96.8 Ų | 96.8 | 42% | 0.417 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 166 | 177.1 | -161.4 | -4.5 | 0 | 0 | 0 | 109.7 | Y103 A110 L111 | D100-Y103 PolarHBondContact OD1-OH 3.38Å; D100-A110 CarbonylContact O-C 3.59Å; D100-A110 WeakPolarHBondContact O-CA 3.34Å; D100-L111 HydrophobicContact CB-CB 4.39Å; D100-L111 PolarHBondContact N-O 3.34Å; D100-L111 PolarHBondContact O-N 3.01Å |
| 101 | V | 84.9 | Confident | 90.8 | Very high | 89 Ų | 89 | 99 Ų | 99 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 134.7 | 176.3 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | Y103 | V101-Y103 WeakPolarHBondContact O-CD2 3.27Å; V101-Y103 WeakPolarHBondContact O-CE2 3.33Å; V101-Y103 PolarHBondContact O-N 3.44Å; V101-Y103 VanDerWaalsContact O-N 3.17Å |
| 102 | G | 75.1 | Confident | 90.9 | Very high | 27 Ų | 27 | 94.8 Ų | 94.8 | 28% | 0.278 | 52% | 0.517 | S | S | . | . | trans | -75.5 | 101.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K104 K109 | G102-K104 PolarHBondContact O-N 3Å; G102-K104 VanDerWaalsContact O-N 3.13Å; G102-K109 PolarHBondContact N-O 2.92Å | ||
| 103 | Y | 68.9 | Low | 91 | Very high | 192 Ų | 192 | 92.6 Ų | 92.6 | 75% | 0.753 | 49% | 0.494 | S | S | * | . | trans | -69.4 | -5.3 | -175 | -60.9 | -84.9 | 0 | 0 | 0 | 116.3 | D100 V101 | D100-Y103 PolarHBondContact OD1-OH 3.38Å; V101-Y103 WeakPolarHBondContact O-CD2 3.27Å; V101-Y103 WeakPolarHBondContact O-CE2 3.33Å; V101-Y103 PolarHBondContact O-N 3.44Å; V101-Y103 VanDerWaalsContact O-N 3.17Å | ||
| 104 | K | 78.6 | Confident | 91.1 | Very high | 180 Ų | 180 | 88.7 Ų | 88.7 | 78% | 0.783 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -120.2 | 134.6 | -178.1 | -68.2 | -170.5 | 177.5 | -174.8 | 0 | 112.2 | G102 K109 | G102-K104 PolarHBondContact O-N 3Å; G102-K104 VanDerWaalsContact O-N 3.13Å; K104-K109 WeakPolarHBondContact O-CE 3.41Å; K104-K109 PolarHBondContact O-NZ 2.96Å |
| 105 | G | 83.9 | Confident | 91 | Very high | 67 Ų | 67 | 89.3 Ų | 89.3 | 69% | 0.691 | 47% | 0.474 | S | S | * | . | S | Bend | trans | 104.6 | 169.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 106 | T | 89.2 | Confident | 90.6 | Very high | 147 Ų | 147 | 85.6 Ų | 85.6 | 90% | 0.902 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -93.9 | -23.4 | -174 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 107 | Q | 90.8 | Very high | 90.4 | Very high | 121 Ų | 121 | 83.3 Ų | 83.3 | 57% | 0.565 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -90.5 | 144.3 | -176.7 | -64.1 | 177.8 | -5.9 | 0 | 0 | 111.8 | K109 K123 | Q107-K109 PolarHBondContact O-N 3.44Å; Q107-K123 VanDerWaalsContact OE1-NZ 3.16Å |
| 108 | L | 91.6 | Very high | 90.2 | Very high | 137 Ų | 137 | 82.1 Ų | 82.1 | 72% | 0.717 | 47% | 0.47 | S | S | * | . | trans | -59.7 | 128.2 | 171.2 | 179.7 | 65.1 | 0 | 0 | 0 | 110.9 | P124 | L108-P124 HydrophobicContact CD2-CG 3.95Å; L108-P124 HydrophobicContact CG-CG 4.2Å | ||
| 109 | K | 94.6 | Very high | 90.1 | Very high | 62 Ų | 62 | 81.7 Ų | 81.7 | 27% | 0.27 | 47% | 0.468 | S | S | . | . | trans | -158.5 | 151 | 174.7 | 59.3 | -170 | 168.5 | -177.5 | 0 | 110.5 | G102 K104 Q107 V121 F122 K123 | G102-K109 PolarHBondContact N-O 2.92Å; K104-K109 WeakPolarHBondContact O-CE 3.41Å; K104-K109 PolarHBondContact O-NZ 2.96Å; Q107-K109 PolarHBondContact O-N 3.44Å; K109-V121 HydrophobicContact CB-CG1 4.1Å; K109-V121 HydrophobicContact CD-CG1 4.08Å; K109-F122 WeakPolarHBondContact CA-O 3.38Å; K109-K123 HydrophobicContact CB-CG 4.46Å | ||
| 110 | A | 94.1 | Very high | 90.1 | Very high | 27 Ų | 27 | 79.2 Ų | 79.2 | 22% | 0.223 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 148.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | D100 L112 F122 | D100-A110 CarbonylContact O-C 3.59Å; D100-A110 WeakPolarHBondContact O-CA 3.34Å; A110-L112 HydrophobicContact CB-CD2 4.26Å; A110-F122 HydrophobicContact CB-CB 4.38Å; A110-F122 HydrophobicContact CB-CD1 4.48Å; A110-F122 PolarHBondContact N-O 3.4Å; A110-F122 PolarHBondContact O-N 3.32Å |
| 111 | L | 95.4 | Very high | 90.2 | Very high | 52 Ų | 52 | 80.1 Ų | 80.1 | 27% | 0.272 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 119.2 | 162.7 | 178.9 | 67.3 | 0 | 0 | 0 | 107.5 | A99 D100 K119 | A99-L111 CarbonylContact C-O 3.39Å; A99-L111 WeakPolarHBondContact CA-O 3.35Å; D100-L111 HydrophobicContact CB-CB 4.39Å; D100-L111 PolarHBondContact N-O 3.34Å; D100-L111 PolarHBondContact O-N 3.01Å; L111-K119 HydrophobicContact CD1-CB 4.03Å; L111-K119 HydrophobicContact CD1-CG 4.47Å |
| 112 | L | 96 | Very high | 90.7 | Very high | 21 Ų | 21 | 81 Ų | 81 | 11% | 0.11 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 142.5 | 172.5 | -52.1 | 179.6 | 0 | 0 | 0 | 109.2 | I96 A99 A110 K119 V120 F122 | I96-L112 HydrophobicContact CD1-CD1 3.78Å; I96-L112 HydrophobicContact CG1-CD1 4.21Å; I96-L112 HydrophobicContact CG2-CB 4.31Å; I96-L112 HydrophobicContact CG2-CD2 4.23Å; A99-L112 HydrophobicContact CB-CD2 3.78Å; A110-L112 HydrophobicContact CB-CD2 4.26Å; L112-K119 CarbonylContact O-C 3.59Å; L112-K119 WeakPolarHBondContact O-CA 3.47Å; L112-V120 HydrophobicContact CB-CG2 3.76Å; L112-V120 HydrophobicContact CD1-CG2 4.46Å; L112-V120 PolarHBondContact N-O 3.18Å; L112-V120 PolarHBondContact O-N 3Å; L112-F122 HydrophobicContact CD1-CB 3.61Å; L112-F122 HydrophobicContact CD1-CD2 4.29Å; L112-F122 HydrophobicContact CD1-CG 4.03Å; L112-F122 HydrophobicContact CG-CB 3.85Å |
| 113 | I | 96.8 | Very high | 91.7 | Very high | 33 Ų | 33 | 85.9 Ų | 85.9 | 17% | 0.169 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 119.5 | 169.3 | -50 | -172.9 | 0 | 0 | 0 | 106.9 | I97 K98 Q118 K119 | I97-I113 HydrophobicContact CD1-CG2 3.98Å; I97-I113 HydrophobicContact CG1-CB 4.15Å; I97-I113 HydrophobicContact CG1-CG2 3.94Å; I97-I113 WeakPolarHBondContact CG1-O 3.2Å; I97-I113 PolarHBondContact N-O 3.39Å; K98-I113 HydrophobicContact CB-CB 4.03Å; K98-I113 HydrophobicContact CB-CD1 4.08Å; K98-I113 HydrophobicContact CB-CG1 4.1Å; K98-I113 HydrophobicContact CD-CD1 4.11Å; K98-I113 PolarHBondContact N-O 3.49Å; K98-I113 PolarHBondContact O-N 2.91Å; I113-Q118 CarbonylContact C-O 3.56Å; I113-Q118 WeakPolarHBondContact CA-O 3.25Å; I113-K119 HydrophobicContact CG1-CG 4.28Å |
| 114 | L | 97.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 79.2 Ų | 79.2 | 2% | 0.021 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 157.6 | 177.5 | -52.9 | -177.8 | 0 | 0 | 0 | 110 | W64 K94 K95 I96 G116 G117 Q118 V120 | W64-L114 HydrophobicContact CH2-CD1 4.19Å; W64-L114 HydrophobicContact CZ2-CD1 4.07Å; K94-L114 HydrophobicContact CB-CB 4.08Å; K94-L114 HydrophobicContact CB-CD1 4.27Å; K95-L114 CarbonylContact O-C 3.58Å; K95-L114 WeakPolarHBondContact O-CA 3.21Å; I96-L114 HydrophobicContact CG1-CD2 3.9Å; L114-G116 PolarHBondContact O-N 2.97Å; L114-G117 PolarHBondContact O-N 3.01Å; L114-Q118 HydrophobicContact CB-CB 4.42Å; L114-Q118 PolarHBondContact N-O 3.27Å; L114-V120 HydrophobicContact CD1-CG1 3.87Å; L114-V120 HydrophobicContact CD1-CG2 4.19Å; L114-V120 HydrophobicContact CD2-CG2 4.18Å; L114-V120 HydrophobicContact CG-CG1 4.36Å; L114-V120 HydrophobicContact CG-CG2 4.08Å |
| 115 | E | 94.2 | Very high | 93.8 | Very high | 93 Ų | 93 | 78.8 Ų | 78.8 | 44% | 0.435 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | 132.6 | 168.8 | -177.8 | -171.3 | -119.3 | 0 | 0 | 110.5 | K94 K95 I97 | K94-E115 HydrophobicContact CD-CB 4.19Å; K94-E115 IonicContact NZ-OE2 2.91Å; K94-E115 PolarHBondContact NZ-OE2 3.44Å; K95-E115 HydrophobicContact CB-CB 4.47Å; K95-E115 PolarHBondContact O-N 3.09Å; I97-E115 HydrophobicContact CG2-CB 4.3Å |
| 116 | G | 89.4 | Confident | 94.3 | Very high | 71 Ų | 71 | 84.9 Ų | 84.9 | 73% | 0.732 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.5 | 1.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L114 Q118 | L114-G116 PolarHBondContact O-N 2.97Å; G116-Q118 VanDerWaalsContact C-N 3.31Å; G116-Q118 PolarHBondContact O-N 3.49Å |
| 117 | G | 92.8 | Very high | 94.6 | Very high | 44 Ų | 44 | 82.4 Ų | 82.4 | 45% | 0.454 | 42% | 0.419 | S | S | . | . | S | Bend | trans | 83.2 | 1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L114 K119 | L114-G117 PolarHBondContact O-N 3.01Å; G117-K119 PolarHBondContact O-N 3.1Å |
| 118 | Q | 95.6 | Very high | 95 | Very high | 63 Ų | 63 | 79.3 Ų | 79.3 | 29% | 0.294 | 41% | 0.41 | S | S | . | . | trans | -63.3 | 129.8 | 178.4 | 178.7 | 59.1 | 41.3 | 0 | 0 | 111.2 | W64 I113 L114 G116 V120 | W64-Q118 HydrophobicContact CD2-CB 3.79Å; W64-Q118 HydrophobicContact CD2-CG 3.62Å; W64-Q118 HydrophobicContact CE3-CG 3.89Å; W64-Q118 HydrophobicContact CG-CB 3.85Å; W64-Q118 HydrophobicContact CG-CG 4.02Å; W64-Q118 HydrophobicContact CH2-CG 4.29Å; W64-Q118 HydrophobicContact CZ2-CB 4.09Å; W64-Q118 HydrophobicContact CZ2-CG 4.06Å; W64-Q118 HydrophobicContact CZ3-CG 4.22Å; I113-Q118 CarbonylContact C-O 3.56Å; I113-Q118 WeakPolarHBondContact CA-O 3.25Å; L114-Q118 HydrophobicContact CB-CB 4.42Å; L114-Q118 PolarHBondContact N-O 3.27Å; G116-Q118 VanDerWaalsContact C-N 3.31Å; G116-Q118 PolarHBondContact O-N 3.49Å; Q118-V120 HydrophobicContact CG-CG1 4.11Å | ||
| 119 | K | 95.2 | Very high | 95.2 | Very high | 132 Ų | 132 | 84.8 Ų | 84.8 | 57% | 0.574 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 132.3 | 175.6 | -68.5 | -179.5 | -174.5 | 175.8 | 0 | 110.1 | L111 L112 I113 G117 | L111-K119 HydrophobicContact CD1-CB 4.03Å; L111-K119 HydrophobicContact CD1-CG 4.47Å; L112-K119 CarbonylContact O-C 3.59Å; L112-K119 WeakPolarHBondContact O-CA 3.47Å; I113-K119 HydrophobicContact CG1-CG 4.28Å; G117-K119 PolarHBondContact O-N 3.1Å |
| 120 | V | 95.2 | Very high | 95.4 | Very high | 24 Ų | 24 | 88.2 Ų | 88.2 | 15% | 0.145 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 146.1 | 175.7 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | M91 L112 L114 Q118 | M91-V120 HydrophobicContact CE-CG1 4.43Å; L112-V120 HydrophobicContact CB-CG2 3.76Å; L112-V120 HydrophobicContact CD1-CG2 4.46Å; L112-V120 PolarHBondContact N-O 3.18Å; L112-V120 PolarHBondContact O-N 3Å; L114-V120 HydrophobicContact CD1-CG1 3.87Å; L114-V120 HydrophobicContact CD1-CG2 4.19Å; L114-V120 HydrophobicContact CD2-CG2 4.18Å; L114-V120 HydrophobicContact CG-CG1 4.36Å; L114-V120 HydrophobicContact CG-CG2 4.08Å; Q118-V120 HydrophobicContact CG-CG1 4.11Å |
| 121 | V | 95.1 | Very high | 95.5 | Very high | 97 Ų | 97 | 91.1 Ų | 91.1 | 59% | 0.588 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 121.3 | 173.1 | 176.1 | 0 | 0 | 0 | 0 | 108.6 | K109 K123 | K109-V121 HydrophobicContact CB-CG1 4.1Å; K109-V121 HydrophobicContact CD-CG1 4.08Å; V121-K123 HydrophobicContact CG1-CG 4.46Å |
| 122 | F | 95.3 | Very high | 95.6 | Very high | 107 Ų | 107 | 93.6 Ų | 93.6 | 47% | 0.469 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 119.8 | 174.3 | 177.9 | -100.4 | 0 | 0 | 0 | 110.3 | K109 A110 L112 P124 | K109-F122 WeakPolarHBondContact CA-O 3.38Å; A110-F122 HydrophobicContact CB-CB 4.38Å; A110-F122 HydrophobicContact CB-CD1 4.48Å; A110-F122 PolarHBondContact N-O 3.4Å; A110-F122 PolarHBondContact O-N 3.32Å; L112-F122 HydrophobicContact CD1-CB 3.61Å; L112-F122 HydrophobicContact CD1-CD2 4.29Å; L112-F122 HydrophobicContact CD1-CG 4.03Å; L112-F122 HydrophobicContact CG-CB 3.85Å; F122-P124 HydrophobicContact CE1-CB 4.08Å |
| 123 | K | 95.5 | Very high | 95.5 | Very high | 129 Ų | 129 | 97.4 Ų | 97.4 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | trans | -102.7 | 115.5 | 171.6 | -70.2 | -164.5 | 176.4 | -166.5 | 0 | 109.2 | Q107 K109 V121 | Q107-K123 VanDerWaalsContact OE1-NZ 3.16Å; K109-K123 HydrophobicContact CB-CG 4.46Å; V121-K123 HydrophobicContact CG1-CG 4.46Å | ||
| 124 | P | 94.9 | Very high | 95.5 | Very high | 52 Ų | 52 | 103.9 Ų | 103.9 | 34% | 0.338 | 52% | 0.522 | S | S | . | . | trans | -66.6 | 146.9 | 175.5 | 28.1 | -33 | 0 | 0 | 0 | 110.4 | L108 F122 R126 | L108-P124 HydrophobicContact CD2-CG 3.95Å; L108-P124 HydrophobicContact CG-CG 4.2Å; F122-P124 HydrophobicContact CE1-CB 4.08Å; P124-R126 PolarHBondContact O-N 3.1Å | ||
| 125 | K | 96.4 | Very high | 95.4 | Very high | 171 Ų | 171 | 107 Ų | 107 | 74% | 0.743 | 56% | 0.556 | S | S | * | * | trans | -58.1 | 122.2 | 171.7 | 177.2 | -174.6 | 173.6 | -172.5 | 0 | 109.1 | Y127 | K125-Y127 WeakPolarHBondContact CE-O 3.46Å; K125-Y127 WeakPolarHBondContact CG-O 3.31Å | ||
| 126 | R | 95.1 | Very high | 95.4 | Very high | 195 Ų | 195 | 110.2 Ų | 110.2 | 74% | 0.736 | 57% | 0.57 | S | S | * | * | trans | -94.2 | -36.2 | 176.7 | -168.7 | 173.6 | -174.4 | -145 | 0.9 | 113.1 | P124 | P124-R126 PolarHBondContact O-N 3.1Š| ||
| 127 | Y | 96.6 | Very high | 95.5 | Very high | 96 Ų | 96 | 113 Ų | 113 | 38% | 0.376 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -131 | 158.1 | -173.4 | -57.3 | -67.6 | 0 | 0 | 0 | 111.6 | K125 H131 | K125-Y127 WeakPolarHBondContact CE-O 3.46Å; K125-Y127 WeakPolarHBondContact CG-O 3.31Å; Y127-H131 AromaticContact CD1-CD2 3.34Å; Y127-H131 WeakPolarHBondContact CD1-CD2 3.44Å; Y127-H131 AromaticContact CD1-CE1 3.94Å; Y127-H131 AromaticContact CD1-CG 3.81Å; Y127-H131 AromaticContact CD1-NE2 3.41Å; Y127-H131 WeakPolarHBondContact CD1-NE2 3.34Å; Y127-H131 AromaticContact CD2-CD2 3.93Å; Y127-H131 AromaticContact CE1-CD2 3.83Å; Y127-H131 AromaticContact CE1-NE2 3.42Å; Y127-H131 WeakPolarHBondContact CE1-NE2 3.34Å; Y127-H131 HydrophobicContact CG-CB 4.42Å; Y127-H131 AromaticContact CG-CD2 3.38Å; Y127-H131 AromaticContact CG-CG 3.95Å; Y127-H131 AromaticContact CG-NE2 3.9Å; Y127-H131 AromaticContact CZ-NE2 3.93Å |
| 128 | S | 97.5 | Very high | 94.9 | Very high | 56 Ų | 56 | 122.9 Ų | 122.9 | 39% | 0.392 | 60% | 0.601 | S | S | . | * | trans | -69.1 | 166.8 | 168.9 | 61 | 0 | 0 | 0 | 0 | 111.2 | D130 H131 | S128-D130 WeakPolarHBondContact CB-OD1 3.33Å; S128-D130 PolarHBondContact O-N 3.09Å; S128-D130 PolarHBondContact OG-OD1 3.33Å; S128-H131 PolarHBondContact O-N 2.88Å | ||
| 129 | R | 96.6 | Very high | 94.9 | Very high | 252 Ų | 252 | 125.9 Ų | 125.9 | 95% | 0.951 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -21.2 | -176.1 | -70.9 | -175.8 | 177.4 | -86 | 2.8 | 113 | ||
| 130 | D | 97.7 | Very high | 94.8 | Very high | 134 Ų | 134 | 125.6 Ų | 125.6 | 72% | 0.717 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 0 | -178.9 | 59.2 | -35.2 | 0 | 0 | 0 | 113.2 | S128 V132 | S128-D130 WeakPolarHBondContact CB-OD1 3.33Å; S128-D130 PolarHBondContact O-N 3.09Å; S128-D130 PolarHBondContact OG-OD1 3.33Å; D130-V132 PolarHBondContact O-N 3.09Å |
| 131 | H | 97.3 | Very high | 94.8 | Very high | 88 Ų | 88 | 131.2 Ų | 131.2 | 41% | 0.407 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -70.7 | 130.7 | 179.2 | -178.4 | 69.8 | 0 | 0 | 0 | 111.6 | Y127 S128 | Y127-H131 AromaticContact CD1-CD2 3.34Å; Y127-H131 WeakPolarHBondContact CD1-CD2 3.44Å; Y127-H131 AromaticContact CD1-CE1 3.94Å; Y127-H131 AromaticContact CD1-CG 3.81Å; Y127-H131 AromaticContact CD1-NE2 3.41Å; Y127-H131 WeakPolarHBondContact CD1-NE2 3.34Å; Y127-H131 AromaticContact CD2-CD2 3.93Å; Y127-H131 AromaticContact CE1-CD2 3.83Å; Y127-H131 AromaticContact CE1-NE2 3.42Å; Y127-H131 WeakPolarHBondContact CE1-NE2 3.34Å; Y127-H131 HydrophobicContact CG-CB 4.42Å; Y127-H131 AromaticContact CG-CD2 3.38Å; Y127-H131 AromaticContact CG-CG 3.95Å; Y127-H131 AromaticContact CG-NE2 3.9Å; Y127-H131 AromaticContact CZ-NE2 3.93Å; S128-H131 PolarHBondContact O-N 2.88Å |
| 132 | V | 96.6 | Very high | 94.8 | Very high | 104 Ų | 104 | 133.2 Ų | 133.2 | 63% | 0.63 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -96 | 125.5 | 172.8 | -179 | 0 | 0 | 0 | 0 | 108.8 | D130 E134 | D130-V132 PolarHBondContact O-N 3.09Å; V132-E134 HydrophobicContact CG1-CG 4.43Å |
| 133 | V | 95.6 | Very high | 94.8 | Very high | 101 Ų | 101 | 134.9 Ų | 134.9 | 61% | 0.612 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -83 | 118.6 | 173.6 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | ||
| 134 | E | 95.8 | Very high | 94.7 | Very high | 169 Ų | 169 | 135.3 Ų | 135.3 | 79% | 0.79 | 67% | 0.666 | S | S | * | * | trans | -104.6 | 159.8 | 179.4 | -61.6 | 180 | 170.9 | 0 | 0 | 111.3 | V132 | V132-E134 HydrophobicContact CG1-CG 4.43Š| ||
| 135 | G | 94.8 | Very high | 94.7 | Very high | 70 Ų | 70 | 141.2 Ų | 141.2 | 72% | 0.722 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 105.2 | -160.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 136 | E | 93.8 | Very high | 94.6 | Very high | 160 Ų | 160 | 138.9 Ų | 138.9 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -65.5 | 137.8 | -179.5 | -64.3 | -60.9 | 143.6 | 0 | 0 | 111.6 | Y138 | E136-Y138 WeakPolarHBondContact O-CD1 3.44Å; E136-Y138 PolarHBondContact O-N 3.4Å |
| 137 | P | 92.3 | Very high | 94.5 | Very high | 130 Ų | 130 | 134.3 Ų | 134.3 | 84% | 0.844 | 68% | 0.681 | S | S | * | * | trans | -66.7 | 118.2 | 172.9 | -19.7 | 32.4 | 0 | 0 | 0 | 111.9 | ||||
| 138 | Y | 80.1 | Confident | 94.4 | Very high | 251 Ų | 251 | 137.7 Ų | 137.7 | 98% | 0.984 | 71% | 0.709 | S | S | * | * | trans | -144.7 | 0 | 174.3 | 63 | -99.1 | 0 | 0 | 0 | 113 | E136 | E136-Y138 WeakPolarHBondContact O-CD1 3.44Å; E136-Y138 PolarHBondContact O-N 3.4Å |
Retrieved 138 of 138 residues in 30.7 ms
(Link to these results)