| 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 | 71.3 | Confident | 93 | Very high | 177 Ų | 177 | 128.8 Ų | 128.8 | 87% | 0.872 | 63% | 0.63 | S | S | * | * | 0 | -40.2 | 0 | -61.1 | -52.3 | 165.4 | 0 | 0 | 114.1 | R5 | M1-R5 WeakPolarHBondContact O-CG 3.46Å; M1-R5 PolarHBondContact O-N 3.49Å; M1-R5 VanDerWaalsContact O-N 3.16Å | |||
| 2 | Q | 89.8 | Confident | 93.4 | Very high | 171 Ų | 171 | 124.8 Ų | 124.8 | 80% | 0.799 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.5 | -43.2 | -176.2 | -164.6 | 172.5 | -4.4 | 0 | 0 | 114 | Q4 R5 L6 | Q2-Q4 PolarHBondContact O-N 3.01Å; Q2-R5 PolarHBondContact O-N 3.35Å; Q2-L6 PolarHBondContact O-N 3.28Å |
| 3 | V | 92.9 | Very high | 93.6 | Very high | 106 Ų | 106 | 120.9 Ų | 120.9 | 64% | 0.642 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.3 | -43 | 177.8 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | R5 L6 L7 | V3-R5 PolarHBondContact O-N 2.87Å; V3-L6 WeakPolarHBondContact O-CB 3.27Å; V3-L6 PolarHBondContact O-N 2.03Å; V3-L7 HydrophobicContact CG1-CD1 4.13Å; V3-L7 HydrophobicContact CG1-CG 4.42Å; V3-L7 WeakPolarHBondContact O-CG 3.49Å; V3-L7 PolarHBondContact O-N 3Å |
| 4 | Q | 94.3 | Very high | 93.8 | Very high | 121 Ų | 121 | 119.1 Ų | 119.1 | 57% | 0.565 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62.7 | -43.4 | 177 | -172.3 | -177.9 | -1.5 | 0 | 0 | 111.7 | Q2 L6 L7 I8 | Q2-Q4 PolarHBondContact O-N 3.01Å; Q4-L6 VanDerWaalsContact C-N 3.32Å; Q4-L6 PolarHBondContact O-N 3.22Å; Q4-L7 PolarHBondContact O-N 3.42Å; Q4-I8 HydrophobicContact CG-CD1 3.99Å; Q4-I8 WeakPolarHBondContact O-CD1 3.26Å; Q4-I8 VanDerWaalsContact O-CG1 3.23Å; Q4-I8 WeakPolarHBondContact O-CG1 3.08Å; Q4-I8 PolarHBondContact O-N 3.44Å |
| 5 | R | 95.1 | Very high | 94 | Very high | 194 Ų | 194 | 114.1 Ų | 114.1 | 73% | 0.732 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.8 | -41.4 | 173.9 | -72.8 | -179.5 | 179.5 | -176.2 | -0.4 | 111.8 | M1 Q2 V3 I8 L9 | M1-R5 WeakPolarHBondContact O-CG 3.46Å; M1-R5 PolarHBondContact O-N 3.49Å; M1-R5 VanDerWaalsContact O-N 3.16Å; Q2-R5 PolarHBondContact O-N 3.35Å; V3-R5 PolarHBondContact O-N 2.87Å; R5-I8 PolarHBondContact O-N 3.38Å; R5-L9 WeakPolarHBondContact O-CB 3.37Å; R5-L9 PolarHBondContact O-N 3.5Å |
| 6 | L | 95.8 | Very high | 94.1 | Very high | 113 Ų | 113 | 113.7 Ų | 113.7 | 59% | 0.592 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.2 | -46.9 | 177.6 | -168.5 | 74 | 0 | 0 | 0 | 111.5 | Q2 V3 Q4 I8 L9 T10 | Q2-L6 PolarHBondContact O-N 3.28Å; V3-L6 WeakPolarHBondContact O-CB 3.27Å; V3-L6 PolarHBondContact O-N 2.03Å; Q4-L6 VanDerWaalsContact C-N 3.32Å; Q4-L6 PolarHBondContact O-N 3.22Å; L6-I8 PolarHBondContact O-N 3.03Å; L6-L9 PolarHBondContact O-N 3.34Å; L6-T10 WeakPolarHBondContact O-CG2 3.46Å; L6-T10 PolarHBondContact O-N 2.93Å; L6-T10 PolarHBondContact O-OG1 3.25Å |
| 7 | L | 96.9 | Very high | 94 | Very high | 110 Ų | 110 | 113.2 Ų | 113.2 | 58% | 0.576 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.6 | -40.6 | 177.5 | -73 | 172.3 | 0 | 0 | 0 | 112.7 | V3 Q4 L9 T10 F11 | V3-L7 HydrophobicContact CG1-CD1 4.13Å; V3-L7 HydrophobicContact CG1-CG 4.42Å; V3-L7 WeakPolarHBondContact O-CG 3.49Å; V3-L7 PolarHBondContact O-N 3Å; Q4-L7 PolarHBondContact O-N 3.42Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-T10 WeakPolarHBondContact CA-OG1 3.28Å; L7-T10 PolarHBondContact O-OG1 3.29Å; L7-F11 WeakPolarHBondContact O-CB 3.48Å; L7-F11 PolarHBondContact O-N 2.97Å |
| 8 | I | 96.6 | Very high | 93.9 | Very high | 95 Ų | 95 | 112.8 Ų | 112.8 | 49% | 0.487 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.8 | -44.7 | 175.3 | -68.3 | 165.8 | 0 | 0 | 0 | 109.7 | Q4 R5 L6 F11 V12 | Q4-I8 HydrophobicContact CG-CD1 3.99Å; Q4-I8 WeakPolarHBondContact O-CD1 3.26Å; Q4-I8 VanDerWaalsContact O-CG1 3.23Å; Q4-I8 WeakPolarHBondContact O-CG1 3.08Å; Q4-I8 PolarHBondContact O-N 3.44Å; R5-I8 PolarHBondContact O-N 3.38Å; L6-I8 PolarHBondContact O-N 3.03Å; I8-F11 PolarHBondContact O-N 2.89Å; I8-V12 HydrophobicContact CG2-CG2 4.38Å; I8-V12 VanDerWaalsContact O-CG2 3.27Å; I8-V12 WeakPolarHBondContact O-CG2 3.49Å; I8-V12 PolarHBondContact O-N 2.94Å |
| 9 | L | 96.6 | Very high | 93.7 | Very high | 108 Ų | 108 | 111.3 Ų | 111.3 | 57% | 0.565 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.4 | -44.1 | -179.4 | -165.4 | 154.1 | 0 | 0 | 0 | 111.6 | R5 L6 L7 F11 V12 V13 | R5-L9 WeakPolarHBondContact O-CB 3.37Å; R5-L9 PolarHBondContact O-N 3.5Å; L6-L9 PolarHBondContact O-N 3.34Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L9-F11 VanDerWaalsContact C-N 3.34Å; L9-F11 PolarHBondContact O-N 3.31Å; L9-V12 PolarHBondContact O-N 2.89Å; L9-V13 HydrophobicContact CD2-CG2 3.92Å; L9-V13 VanDerWaalsContact O-CG2 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3.37Å; L9-V13 PolarHBondContact O-N 3.23Å |
| 10 | T | 96.7 | Very high | 93.2 | Very high | 74 Ų | 74 | 113.2 Ų | 113.2 | 45% | 0.454 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.6 | -41.1 | 176.3 | 55.2 | 0 | 0 | 0 | 0 | 111.8 | L6 L7 V13 L14 | L6-T10 WeakPolarHBondContact O-CG2 3.46Å; L6-T10 PolarHBondContact O-N 2.93Å; L6-T10 PolarHBondContact O-OG1 3.25Å; L7-T10 WeakPolarHBondContact CA-OG1 3.28Å; L7-T10 PolarHBondContact O-OG1 3.29Å; T10-V13 PolarHBondContact O-N 2.96Å; T10-L14 WeakPolarHBondContact O-CB 3.38Å; T10-L14 PolarHBondContact O-N 3.33Å |
| 11 | F | 97.4 | Very high | 92.5 | Very high | 148 Ų | 148 | 110.7 Ų | 110.7 | 65% | 0.649 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.3 | -43.3 | 176.1 | -173.5 | -96.9 | 0 | 0 | 0 | 112.2 | L7 I8 L9 L14 A15 | L7-F11 WeakPolarHBondContact O-CB 3.48Å; L7-F11 PolarHBondContact O-N 2.97Å; I8-F11 PolarHBondContact O-N 2.89Å; L9-F11 VanDerWaalsContact C-N 3.34Å; L9-F11 PolarHBondContact O-N 3.31Å; F11-L14 PolarHBondContact O-N 3.39Å; F11-A15 WeakPolarHBondContact O-CB 3.31Å; F11-A15 PolarHBondContact O-N 3.04Å |
| 12 | V | 97.2 | Very high | 92.5 | Very high | 81 Ų | 81 | 107.1 Ų | 107.1 | 49% | 0.491 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.1 | -44.9 | 176.2 | 170 | 0 | 0 | 0 | 0 | 111.2 | I8 L9 L14 A15 M16 | I8-V12 HydrophobicContact CG2-CG2 4.38Å; I8-V12 VanDerWaalsContact O-CG2 3.27Å; I8-V12 WeakPolarHBondContact O-CG2 3.49Å; I8-V12 PolarHBondContact O-N 2.94Å; L9-V12 PolarHBondContact O-N 2.89Å; V12-L14 PolarHBondContact O-N 3.46Å; V12-A15 PolarHBondContact O-N 2.92Å; V12-M16 WeakPolarHBondContact O-CB 3.34Å; V12-M16 VanDerWaalsContact O-CG 3.28Å; V12-M16 WeakPolarHBondContact O-CG 3.23Å; V12-M16 PolarHBondContact O-N 3.49Å |
| 13 | V | 96.6 | Very high | 91.4 | Very high | 74 Ų | 74 | 111 Ų | 111 | 45% | 0.448 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.7 | -44.7 | 176.8 | 171 | 0 | 0 | 0 | 0 | 110.9 | L9 T10 M16 I17 | L9-V13 HydrophobicContact CD2-CG2 3.92Å; L9-V13 VanDerWaalsContact O-CG2 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3.37Å; L9-V13 PolarHBondContact O-N 3.23Å; T10-V13 PolarHBondContact O-N 2.96Å; V13-M16 WeakPolarHBondContact O-CB 3.39Å; V13-M16 PolarHBondContact O-N 3.46Å; V13-I17 HydrophobicContact CG1-CD1 3.96Å; V13-I17 WeakPolarHBondContact O-CG1 3.41Å; V13-I17 PolarHBondContact O-N 3.38Å |
| 14 | L | 96.7 | Very high | 90 | Very high | 95 Ų | 95 | 111 Ų | 111 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.1 | -44.3 | 177.9 | -175.9 | 64.5 | 0 | 0 | 0 | 111.9 | T10 F11 V12 M16 I17 L18 | T10-L14 WeakPolarHBondContact O-CB 3.38Å; T10-L14 PolarHBondContact O-N 3.33Å; F11-L14 PolarHBondContact O-N 3.39Å; V12-L14 PolarHBondContact O-N 3.46Å; L14-M16 VanDerWaalsContact C-N 3.3Å; L14-M16 PolarHBondContact O-N 2.97Å; L14-I17 PolarHBondContact O-N 2.89Å; L14-L18 HydrophobicContact CD1-CD1 4.48Å; L14-L18 HydrophobicContact CG-CD1 4.1Å; L14-L18 WeakPolarHBondContact O-CG 3.46Å; L14-L18 PolarHBondContact O-N 3.49Å |
| 15 | A | 96 | Very high | 88.5 | Confident | 45 Ų | 45 | 111.8 Ų | 111.8 | 37% | 0.372 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.9 | -39.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F11 V12 L18 A19 | F11-A15 WeakPolarHBondContact O-CB 3.31Å; F11-A15 PolarHBondContact O-N 3.04Å; V12-A15 PolarHBondContact O-N 2.92Å; A15-L18 PolarHBondContact O-N 3.28Å; A15-A19 VanDerWaalsContact O-CB 3.26Å; A15-A19 WeakPolarHBondContact O-CB 3.04Å; A15-A19 PolarHBondContact O-N 3.16Å |
| 16 | M | 95.5 | Very high | 86.7 | Confident | 107 Ų | 107 | 105.9 Ų | 105.9 | 53% | 0.527 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.5 | -44.1 | 174.9 | -75.1 | -73.3 | -72.8 | 0 | 0 | 112.2 | V12 V13 L14 A19 Q20 | V12-M16 WeakPolarHBondContact O-CB 3.34Å; V12-M16 VanDerWaalsContact O-CG 3.28Å; V12-M16 WeakPolarHBondContact O-CG 3.23Å; V12-M16 PolarHBondContact O-N 3.49Å; V13-M16 WeakPolarHBondContact O-CB 3.39Å; V13-M16 PolarHBondContact O-N 3.46Å; L14-M16 VanDerWaalsContact C-N 3.3Å; L14-M16 PolarHBondContact O-N 2.97Å; M16-A19 PolarHBondContact O-N 3.46Å; M16-Q20 WeakPolarHBondContact O-CG 3.28Å; M16-Q20 PolarHBondContact O-N 3.48Å |
| 17 | I | 93.3 | Very high | 85 | Confident | 106 Ų | 106 | 103.4 Ų | 103.4 | 54% | 0.544 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.6 | -46.2 | 176.8 | -67.7 | 166.4 | 0 | 0 | 0 | 110.5 | V13 L14 A19 Q20 S21 | V13-I17 HydrophobicContact CG1-CD1 3.96Å; V13-I17 WeakPolarHBondContact O-CG1 3.41Å; V13-I17 PolarHBondContact O-N 3.38Å; L14-I17 PolarHBondContact O-N 2.89Å; I17-A19 PolarHBondContact O-N 3.2Å; I17-Q20 PolarHBondContact O-N 2.94Å; I17-S21 PolarHBondContact O-N 2.74Å |
| 18 | L | 90.7 | Very high | 83.2 | Confident | 106 Ų | 106 | 106.8 Ų | 106.8 | 56% | 0.555 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.4 | -38.3 | 178.6 | -69.8 | 170.2 | 0 | 0 | 0 | 112 | L14 A15 Q20 S21 | L14-L18 HydrophobicContact CD1-CD1 4.48Å; L14-L18 HydrophobicContact CG-CD1 4.1Å; L14-L18 WeakPolarHBondContact O-CG 3.46Å; L14-L18 PolarHBondContact O-N 3.49Å; A15-L18 PolarHBondContact O-N 3.28Å; L18-Q20 VanDerWaalsContact C-N 3.31Å; L18-Q20 PolarHBondContact O-N 3.3Å; L18-S21 WeakPolarHBondContact O-CB 3.36Å; L18-S21 PolarHBondContact O-N 3.23Å; L18-S21 PolarHBondContact O-OG 2.85Å |
| 19 | A | 90 | Very high | 81.4 | Confident | 84 Ų | 84 | 109.7 Ų | 109.7 | 69% | 0.694 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.5 | -32.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A15 M16 I17 | A15-A19 VanDerWaalsContact O-CB 3.26Å; A15-A19 WeakPolarHBondContact O-CB 3.04Å; A15-A19 PolarHBondContact O-N 3.16Å; M16-A19 PolarHBondContact O-N 3.46Å; I17-A19 PolarHBondContact O-N 3.2Å |
| 20 | Q | 85.4 | Confident | 79.7 | Confident | 149 Ų | 149 | 107.8 Ų | 107.8 | 70% | 0.696 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -84.5 | -13 | 176.3 | -68.1 | -175.3 | 27.2 | 0 | 0 | 113.6 | M16 I17 L18 | M16-Q20 WeakPolarHBondContact O-CG 3.28Å; M16-Q20 PolarHBondContact O-N 3.48Å; I17-Q20 PolarHBondContact O-N 2.94Å; L18-Q20 VanDerWaalsContact C-N 3.31Å; L18-Q20 PolarHBondContact O-N 3.3Å |
| 21 | S | 76.7 | Confident | 78.2 | Confident | 60 Ų | 60 | 109.6 Ų | 109.6 | 42% | 0.42 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -60.6 | 126.6 | 175.7 | 72.6 | 0 | 0 | 0 | 0 | 109.9 | I17 L18 R23 | I17-S21 PolarHBondContact O-N 2.74Å; L18-S21 WeakPolarHBondContact O-CB 3.36Å; L18-S21 PolarHBondContact O-N 3.23Å; L18-S21 PolarHBondContact O-OG 2.85Å; S21-R23 PolarHBondContact O-N 3.17Å |
| 22 | P | 72.1 | Confident | 76.9 | Confident | 102 Ų | 102 | 106.5 Ų | 106.5 | 66% | 0.662 | 56% | 0.555 | S | S | * | * | trans | -64 | 117 | -177.7 | 24 | -31.9 | 0 | 0 | 0 | 109.4 | I24 | P22-I24 PolarHBondContact O-N 3.07Š| ||
| 23 | R | 67.9 | Low | 75.4 | Confident | 253 Ų | 253 | 111.7 Ų | 111.7 | 96% | 0.955 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -57.9 | -14.5 | 176.7 | -65.9 | -171.2 | -176.8 | -176.5 | 1.2 | 113.9 | S21 | S21-R23 PolarHBondContact O-N 3.17Š|
| 24 | I | 62.6 | Low | 74.2 | Confident | 105 Ų | 105 | 111.1 Ų | 111.1 | 54% | 0.538 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -130.5 | 108.7 | -176.5 | -31.8 | 173.7 | 0 | 0 | 0 | 106.5 | P22 E26 | P22-I24 PolarHBondContact O-N 3.07Å; I24-E26 PolarHBondContact O-N 3.45Å |
| 25 | T | 62.1 | Low | 73.3 | Confident | 139 Ų | 139 | 111 Ų | 111 | 85% | 0.853 | 57% | 0.566 | S | S | * | * | trans | -72.8 | 71.9 | 165 | 46.6 | 0 | 0 | 0 | 0 | 108.2 | A27 | T25-A27 PolarHBondContact O-N 3.43Š| ||
| 26 | E | 57.4 | Low | 72.7 | Confident | 70 Ų | 70 | 117 Ų | 117 | 33% | 0.327 | 59% | 0.586 | S | S | . | * | trans | -74.6 | 115.1 | 169.9 | 60 | 171.2 | -163.2 | 0 | 0 | 109.2 | I24 R28 S47 | I24-E26 PolarHBondContact O-N 3.45Å; E26-R28 HydrophobicContact CG-CG 4.16Å; E26-R28 PolarHBondContact O-N 2.75Å; E26-R28 IonicContact OE1-CZ 3.36Å; E26-R28 IonicContact OE1-NE 2.83Å; E26-R28 PolarHBondContact OE1-NE 3.37Å; E26-R28 IonicContact OE1-NH2 2.97Å; E26-R28 PolarHBondContact OE1-NH2 3.02Å; E26-S47 WeakPolarHBondContact OE2-CB 3.45Å; E26-S47 PolarHBondContact OE2-OG 3.03Å | ||
| 27 | A | 60.3 | Low | 71.6 | Confident | 60 Ų | 60 | 115.3 Ų | 115.3 | 50% | 0.496 | 58% | 0.582 | S | S | . | * | trans | -63.9 | 105 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | T25 L44 | T25-A27 PolarHBondContact O-N 3.43Å; A27-L44 WeakPolarHBondContact O-CD1 3.32Å | ||
| 28 | R | 59.3 | Low | 70.7 | Confident | 181 Ų | 181 | 117.7 Ų | 117.7 | 68% | 0.683 | 59% | 0.588 | S | S | * | * | trans | -80.6 | -23.3 | 177.9 | -70.7 | -173.1 | 171.9 | 174 | 0.4 | 113 | E26 L44 | E26-R28 HydrophobicContact CG-CG 4.16Å; E26-R28 PolarHBondContact O-N 2.75Å; E26-R28 IonicContact OE1-CZ 3.36Å; E26-R28 IonicContact OE1-NE 2.83Å; E26-R28 PolarHBondContact OE1-NE 3.37Å; E26-R28 IonicContact OE1-NH2 2.97Å; E26-R28 PolarHBondContact OE1-NH2 3.02Å; R28-L44 PolarHBondContact O-N 2.97Å | ||
| 29 | R | 59.1 | Low | 69.5 | Low | 157 Ų | 157 | 116.6 Ų | 116.6 | 59% | 0.592 | 59% | 0.588 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -131.4 | 132.4 | -175.2 | -169.5 | -178.3 | -95.5 | -174.9 | -6.8 | 109.4 | I31 | R29-I31 HydrophobicContact CG-CG1 4.44Å |
| 30 | L | 61.1 | Low | 68.1 | Low | 67 Ų | 67 | 115.3 Ų | 115.3 | 35% | 0.351 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111 | 129.3 | 166.6 | -68.1 | 170.1 | 0 | 0 | 0 | 107.6 | F32 S42 L44 | L30-F32 HydrophobicContact CB-CE2 4.25Å; L30-S42 PolarHBondContact N-O 2.95Å; L30-S42 VanDerWaalsContact N-O 3.14Å; L30-S42 PolarHBondContact O-N 2.94Å; L30-S42 PolarHBondContact O-OG 2.83Å; L30-L44 HydrophobicContact CD1-CD1 3.62Å; L30-L44 HydrophobicContact CD1-CD2 3.95Å; L30-L44 HydrophobicContact CD1-CG 3.83Å; L30-L44 HydrophobicContact CD2-CD1 4.27Å; L30-L44 HydrophobicContact CG-CD1 3.6Å; L30-L44 HydrophobicContact CG-CG 4.06Å |
| 31 | I | 64.8 | Low | 66.9 | Low | 112 Ų | 112 | 111.6 Ų | 111.6 | 57% | 0.574 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.7 | 174.2 | -56.3 | 175.6 | 0 | 0 | 0 | 106.4 | R29 P39 | R29-I31 HydrophobicContact CG-CG1 4.44Å; I31-P39 HydrophobicContact CG2-CB 4.08Å |
| 32 | F | 70.1 | Confident | 66.1 | Low | 84 Ų | 84 | 108.8 Ų | 108.8 | 37% | 0.368 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 109.4 | 172.2 | -65.8 | -85.6 | 0 | 0 | 0 | 108 | L30 L40 S42 V70 F72 | L30-F32 HydrophobicContact CB-CE2 4.25Å; F32-L40 HydrophobicContact CB-CB 4.47Å; F32-L40 PolarHBondContact N-O 2.94Å; F32-L40 PolarHBondContact O-N 3.36Å; F32-S42 WeakPolarHBondContact CE2-OG 3.06Å; F32-V70 HydrophobicContact CE2-CG1 3.82Å; F32-V70 HydrophobicContact CZ-CG1 4.28Å; F32-V70 HydrophobicContact CZ-CG2 4.49Å; F32-F72 HydrophobicContact CD2-CD1 4.37Å; F32-F72 AromaticContact CD2-CE1 3.51Å; F32-F72 HydrophobicContact CD2-CE1 3.51Å; F32-F72 HydrophobicContact CD2-CZ 4.29Å; F32-F72 AromaticContact CE2-CE1 3.77Å; F32-F72 HydrophobicContact CE2-CE1 3.77Å; F32-F72 HydrophobicContact CE2-CZ 4.21Å; F32-F72 HydrophobicContact CG-CE1 4.05Å |
| 33 | Y | 65.9 | Low | 65.3 | Low | 190 Ų | 190 | 109.3 Ų | 109.3 | 75% | 0.745 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 132.2 | 171 | -177.4 | -97.7 | 0 | 0 | 0 | 109.4 | P35 | Y33-P35 HydrophobicContact CE1-CB 4.21Å |
| 34 | N | 71 | Confident | 64.8 | Low | 62 Ų | 62 | 98.9 Ų | 98.9 | 33% | 0.332 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 123.9 | 169.7 | 177.1 | -10.3 | 0 | 0 | 0 | 106.8 | H36 T37 | N34-H36 PolarHBondContact O-N 2.84Å; N34-H36 PolarHBondContact OD1-N 3.27Å; N34-T37 VanDerWaalsContact CB-OG1 3.26Å; N34-T37 WeakPolarHBondContact CB-OG1 3.22Å; N34-T37 PolarHBondContact ND2-OG1 3.25Å; N34-T37 VanDerWaalsContact ND2-OG1 3.13Å; N34-T37 PolarHBondContact O-N 2.66Å |
| 35 | P | 78.1 | Confident | 64.3 | Low | 93 Ų | 93 | 97.5 Ų | 97.5 | 60% | 0.604 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.9 | -178.7 | 24.9 | -33.8 | 0 | 0 | 0 | 113.6 | Y33 | Y33-P35 HydrophobicContact CE1-CB 4.21Š|
| 36 | H | 82.9 | Confident | 64 | Low | 169 Ų | 169 | 93.3 Ų | 93.3 | 78% | 0.782 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -8.7 | -177.8 | -57.3 | -65.7 | 0 | 0 | 0 | 113.9 | N34 | N34-H36 PolarHBondContact O-N 2.84Å; N34-H36 PolarHBondContact OD1-N 3.27Å |
| 37 | T | 72.6 | Confident | 63.9 | Low | 72 Ų | 72 | 91.7 Ų | 91.7 | 44% | 0.442 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 161.2 | -175.9 | 69.2 | 0 | 0 | 0 | 0 | 111.8 | N34 | N34-T37 VanDerWaalsContact CB-OG1 3.26Å; N34-T37 WeakPolarHBondContact CB-OG1 3.22Å; N34-T37 PolarHBondContact ND2-OG1 3.25Å; N34-T37 VanDerWaalsContact ND2-OG1 3.13Å; N34-T37 PolarHBondContact O-N 2.66Å |
| 38 | K | 74 | Confident | 64 | Low | 156 Ų | 156 | 98.5 Ų | 98.5 | 68% | 0.678 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 144.2 | 172.4 | -68 | 179.5 | 177.2 | 175.4 | 0 | 110.4 | L40 | K38-L40 PolarHBondContact O-N 2.86Å |
| 39 | P | 66.3 | Low | 64.2 | Low | 84 Ų | 84 | 99.7 Ų | 99.7 | 55% | 0.545 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 122.5 | 178.5 | 23.4 | -32.5 | 0 | 0 | 0 | 110 | I31 | I31-P39 HydrophobicContact CG2-CB 4.08Å |
| 40 | L | 60.6 | Low | 64.6 | Low | 57 Ų | 57 | 94.9 Ų | 94.9 | 30% | 0.298 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 124.7 | 179.1 | -68.4 | 163 | 0 | 0 | 0 | 108.9 | F32 K38 F72 | F32-L40 HydrophobicContact CB-CB 4.47Å; F32-L40 PolarHBondContact N-O 2.94Å; F32-L40 PolarHBondContact O-N 3.36Å; K38-L40 PolarHBondContact O-N 2.86Å; L40-F72 HydrophobicContact CB-CD1 3.82Å; L40-F72 HydrophobicContact CB-CE1 4.3Å; L40-F72 HydrophobicContact CD1-CD1 3.85Å; L40-F72 HydrophobicContact CD1-CE1 4.19Å; L40-F72 HydrophobicContact CD1-CG 4.49Å; L40-F72 HydrophobicContact CG-CD1 4.32Å |
| 41 | T | 59.9 | Low | 65.3 | Low | 70 Ų | 70 | 97.6 Ų | 97.6 | 43% | 0.429 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 130.5 | 174.5 | 63.4 | 0 | 0 | 0 | 0 | 109.6 | ||
| 42 | S | 60.4 | Low | 66 | Low | 2 Ų | 2 | 100 Ų | 100 | 1% | 0.014 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 144.7 | 169.6 | 70.4 | 0 | 0 | 0 | 0 | 110.2 | L30 F32 | L30-S42 PolarHBondContact N-O 2.95Å; L30-S42 VanDerWaalsContact N-O 3.14Å; L30-S42 PolarHBondContact O-N 2.94Å; L30-S42 PolarHBondContact O-OG 2.83Å; F32-S42 WeakPolarHBondContact CE2-OG 3.06Å |
| 43 | Q | 54.7 | Low | 66.6 | Low | 113 Ų | 113 | 101.7 Ų | 101.7 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 121.9 | 174.9 | -58.7 | -177.3 | -0.7 | 0 | 0 | 108.9 | L45 | Q43-L45 HydrophobicContact CB-CD1 4.03Å; Q43-L45 HydrophobicContact CB-CG 3.84Å; Q43-L45 PolarHBondContact O-N 3.07Å |
| 44 | L | 57.7 | Low | 67.2 | Low | 34 Ų | 34 | 94 Ų | 94 | 18% | 0.178 | 48% | 0.479 | C | S | . | . | trans | -78.3 | 72.9 | 167.9 | -75.1 | 168 | 0 | 0 | 0 | 108.1 | A27 R28 L30 V46 | A27-L44 WeakPolarHBondContact O-CD1 3.32Å; R28-L44 PolarHBondContact O-N 2.97Å; L30-L44 HydrophobicContact CD1-CD1 3.62Å; L30-L44 HydrophobicContact CD1-CD2 3.95Å; L30-L44 HydrophobicContact CD1-CG 3.83Å; L30-L44 HydrophobicContact CD2-CD1 4.27Å; L30-L44 HydrophobicContact CG-CD1 3.6Å; L30-L44 HydrophobicContact CG-CG 4.06Å; L44-V46 PolarHBondContact O-N 2.67Å | ||
| 45 | L | 53 | Low | 67.4 | Low | 76 Ų | 76 | 93.8 Ų | 93.8 | 40% | 0.398 | 48% | 0.481 | S | S | . | . | trans | -79.1 | 112.1 | 178.1 | -74.2 | 162.6 | 0 | 0 | 0 | 109 | Q43 R68 | Q43-L45 HydrophobicContact CB-CD1 4.03Å; Q43-L45 HydrophobicContact CB-CG 3.84Å; Q43-L45 PolarHBondContact O-N 3.07Å; L45-R68 PolarHBondContact O-N 3.18Å | ||
| 46 | V | 55.7 | Low | 67.3 | Low | 50 Ų | 50 | 94.5 Ų | 94.5 | 30% | 0.303 | 50% | 0.495 | S | S | . | . | trans | 106.9 | 113.6 | 166.4 | -169.2 | 0 | 0 | 0 | 0 | 114.9 | L44 R48 L50 C66 | L44-V46 PolarHBondContact O-N 2.67Å; V46-R48 HydrophobicContact CG1-CB 4.49Å; V46-L50 HydrophobicContact CG1-CD1 3.71Å; V46-C66 WeakPolarHBondContact CG1-O 3.42Å; V46-C66 VanDerWaalsContact O-O 3.08Å | ||
| 47 | S | 55.4 | Low | 66.7 | Low | 36 Ų | 36 | 89 Ų | 89 | 25% | 0.252 | 48% | 0.484 | S | S | . | . | trans | -118.2 | 7.5 | 177 | 60.6 | 0 | 0 | 0 | 0 | 113.3 | E26 R65 | E26-S47 WeakPolarHBondContact OE2-CB 3.45Å; E26-S47 PolarHBondContact OE2-OG 3.03Å; S47-R65 WeakPolarHBondContact O-CD 3.47Å | ||
| 48 | R | 61.4 | Low | 66.7 | Low | 203 Ų | 203 | 88.4 Ų | 88.4 | 77% | 0.766 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -79.7 | 143.1 | 178.7 | -69.3 | -172.1 | 178.4 | -175.7 | 0.1 | 110.9 | V46 L50 | V46-R48 HydrophobicContact CG1-CB 4.49Å; R48-L50 PolarHBondContact O-N 3.27Å |
| 49 | R | 63.9 | Low | 66.6 | Low | 206 Ų | 206 | 87.6 Ų | 87.6 | 78% | 0.777 | 48% | 0.475 | S | S | * | . | trans | -64.4 | 116.7 | 164.9 | -75.9 | -175 | -178.8 | 170.8 | 1.4 | 107.4 | R65 | R49-R65 HydrophobicContact CG-CG 4.42Š| ||
| 50 | L | 67.9 | Low | 67 | Low | 56 Ų | 56 | 87 Ų | 87 | 29% | 0.293 | 46% | 0.462 | S | S | . | . | trans | -107.8 | 148.1 | 175.2 | -81.2 | 135.1 | 0 | 0 | 0 | 108.3 | V46 R48 P55 R60 C66 | V46-L50 HydrophobicContact CG1-CD1 3.71Å; R48-L50 PolarHBondContact O-N 3.27Å; L50-P55 HydrophobicContact CD2-CG 4.27Å; L50-R60 PolarHBondContact O-NH2 2.98Å; L50-C66 HydrophobicContact CB-CB 4.08Å; L50-C66 HydrophobicContact CD1-CB 3.62Å; L50-C66 HydrophobicContact CG-CB 4.48Å | ||
| 51 | T | 75.8 | Confident | 67.7 | Low | 124 Ų | 124 | 85.6 Ų | 85.6 | 76% | 0.761 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 153.3 | 171.8 | 43 | 0 | 0 | 0 | 0 | 110.3 | P53 | T51-P53 CarbonylContact O-C 3.35Å; T51-P53 VanDerWaalsContact O-O 3.06Å |
| 52 | K | 78 | Confident | 68.5 | Low | 164 Ų | 164 | 90.2 Ų | 90.2 | 71% | 0.713 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -74.6 | 142.7 | 174.3 | -66.6 | -178.7 | 180 | 179.9 | 0 | 108.6 | R60 | K52-R60 VanDerWaalsContact CE-NH1 3.25Š|
| 53 | P | 83.7 | Confident | 69.3 | Low | 119 Ų | 119 | 97.2 Ų | 97.2 | 77% | 0.773 | 50% | 0.497 | S | S | * | . | S | Bend | cis | -79 | 162.5 | -9.6 | 33.1 | -34.6 | 0 | 0 | 0 | 112.8 | T51 | T51-P53 CarbonylContact O-C 3.35Å; T51-P53 VanDerWaalsContact O-O 3.06Å |
| 54 | C | 78.2 | Confident | 70.2 | Confident | 29 Ų | 29 | 96.2 Ų | 96.2 | 20% | 0.196 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 147.2 | 171.9 | -67.6 | 0 | 0 | 0 | 0 | 110.9 | K58 R60 C66 | C54-K58 HydrophobicContact CB-CB 4.14Å; C54-R60 WeakPolarHBondContact SG-CG 3.43Å; C54-C66 WeakPolarHBondContact CA-SG 3.5Å; C54-C66 HydrophobicContact CB-CB 3.82Å; C54-C66 WeakPolarHBondContact CB-SG 3.18Å; C54-C66 WeakPolarHBondContact SG-CB 3.33Å; C54-C66 CovalentContact SG-SG 2.03Å; C54-C66 PolarHBondContact SG-SG 3.14Å |
| 55 | P | 76 | Confident | 70.9 | Confident | 56 Ų | 56 | 97.4 Ų | 97.4 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 152.1 | 171.9 | -22.5 | 31.2 | 0 | 0 | 0 | 112 | L50 G57 K58 | L50-P55 HydrophobicContact CD2-CG 4.27Å; P55-G57 PolarHBondContact O-N 2.95Å; P55-K58 HydrophobicContact CB-CD 4.2Å; P55-K58 HydrophobicContact CG-CD 4.15Å; P55-K58 WeakPolarHBondContact O-CB 3.35Å; P55-K58 PolarHBondContact O-N 2.93Å |
| 56 | A | 75.2 | Confident | 71.8 | Confident | 109 Ų | 109 | 93.8 Ų | 93.8 | 90% | 0.901 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 137 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | K58 | A56-K58 VanDerWaalsContact C-N 3.27Å; A56-K58 PolarHBondContact O-N 3.45Å |
| 57 | G | 70.3 | Confident | 72.3 | Confident | 53 Ų | 53 | 94.8 Ų | 94.8 | 55% | 0.546 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 9.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | P55 R68 A69 | P55-G57 PolarHBondContact O-N 2.95Å; G57-R68 WeakPolarHBondContact O-CG 3.46Å; G57-A69 PolarHBondContact O-N 2.92Å |
| 58 | K | 72.2 | Confident | 72.7 | Confident | 59 Ų | 59 | 98.2 Ų | 98.2 | 26% | 0.257 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 141.9 | 172.6 | -56.5 | -172.3 | -179 | 172.9 | 0 | 111.2 | C54 P55 A56 C66 R67 | C54-K58 HydrophobicContact CB-CB 4.14Å; P55-K58 HydrophobicContact CB-CD 4.2Å; P55-K58 HydrophobicContact CG-CD 4.15Å; P55-K58 WeakPolarHBondContact O-CB 3.35Å; P55-K58 PolarHBondContact O-N 2.93Å; A56-K58 VanDerWaalsContact C-N 3.27Å; A56-K58 PolarHBondContact O-N 3.45Å; K58-C66 HydrophobicContact CB-CB 4.44Å; K58-R67 CarbonylContact C-O 3.47Å; K58-R67 WeakPolarHBondContact CA-O 3.43Å; K58-R67 VanDerWaalsContact CB-O 3.22Å; K58-R67 WeakPolarHBondContact CB-O 3.26Å |
| 59 | M | 73.3 | Confident | 72.8 | Confident | 139 Ų | 139 | 91 Ų | 91 | 69% | 0.685 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 146.6 | 176.6 | -163.4 | 168 | 78.4 | 0 | 0 | 110.1 | R67 | M59-R67 PolarHBondContact N-O 3.33Å; M59-R67 PolarHBondContact O-N 2.99Å; M59-R67 VanDerWaalsContact O-O 3.1Å |
| 60 | R | 74.4 | Confident | 72.5 | Confident | 73 Ų | 73 | 84 Ų | 84 | 28% | 0.275 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 142.7 | 174.7 | -75 | -165.4 | 169 | -150.6 | -9.9 | 111.1 | L50 K52 C54 D64 R65 | L50-R60 PolarHBondContact O-NH2 2.98Å; K52-R60 VanDerWaalsContact CE-NH1 3.25Å; C54-R60 WeakPolarHBondContact SG-CG 3.43Å; R60-D64 IonicContact CZ-OD1 3.76Å; R60-D64 IonicContact NH1-OD1 2.74Å; R60-D64 PolarHBondContact NH1-OD1 2.87Å; R60-R65 CarbonylContact C-O 3.59Å; R60-R65 WeakPolarHBondContact CA-O 3.4Å |
| 61 | D | 74.1 | Confident | 72.1 | Confident | 27 Ų | 27 | 85.7 Ų | 85.7 | 14% | 0.144 | 46% | 0.456 | C | S | . | . | trans | -87.4 | 176.4 | 165.8 | 73 | 3.6 | 0 | 0 | 0 | 112.1 | R63 D64 R65 R67 | D61-R63 PolarHBondContact O-N 2.74Å; D61-R63 VanDerWaalsContact OD1-C 3.22Å; D61-R63 VanDerWaalsContact OD1-CA 3.28Å; D61-R63 WeakPolarHBondContact OD1-CA 3.28Å; D61-R63 WeakPolarHBondContact OD1-CB 3.34Å; D61-R63 PolarHBondContact OD1-N 3.06Å; D61-D64 PolarHBondContact O-N 3.35Å; D61-D64 VanDerWaalsContact O-N 3.07Å; D61-D64 PolarHBondContact OD1-N 3.33Å; D61-D64 VanDerWaalsContact OD1-N 3.17Å; D61-R65 PolarHBondContact N-O 2.81Å; D61-R65 WeakPolarHBondContact OD1-CB 3.44Å; D61-R65 PolarHBondContact OD1-N 3.41Å; D61-R67 HydrophobicContact CB-CG 4.48Å; D61-R67 IonicContact OD2-CZ 3.22Å; D61-R67 VanDerWaalsContact OD2-CZ 3.22Å; D61-R67 IonicContact OD2-NE 2.74Å; D61-R67 PolarHBondContact OD2-NE 3.12Å; D61-R67 IonicContact OD2-NH2 2.81Å; D61-R67 PolarHBondContact OD2-NH2 3.19Å | ||
| 62 | H | 78.2 | Confident | 71.3 | Confident | 166 Ų | 166 | 84.7 Ų | 84.7 | 77% | 0.769 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -3 | 175.6 | 69.5 | -87.6 | 0 | 0 | 0 | 114.4 | ||
| 63 | R | 76 | Confident | 70.4 | Confident | 150 Ų | 150 | 79 Ų | 79 | 57% | 0.566 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | 17.5 | 177.5 | -57 | -176 | 173.1 | -162.2 | -7.1 | 112.1 | D61 R65 | D61-R63 PolarHBondContact O-N 2.74Å; D61-R63 VanDerWaalsContact OD1-C 3.22Å; D61-R63 VanDerWaalsContact OD1-CA 3.28Å; D61-R63 WeakPolarHBondContact OD1-CA 3.28Å; D61-R63 WeakPolarHBondContact OD1-CB 3.34Å; D61-R63 PolarHBondContact OD1-N 3.06Å; R63-R65 HydrophobicContact CB-CG 4.44Å; R63-R65 PolarHBondContact O-N 3.03Å |
| 64 | D | 73.3 | Confident | 69.2 | Low | 91 Ų | 91 | 85 Ų | 85 | 49% | 0.487 | 44% | 0.437 | S | S | . | . | S | Bend | trans | 60.3 | 23.3 | -178.6 | -82.7 | -53.2 | 0 | 0 | 0 | 115.2 | R60 D61 | R60-D64 IonicContact CZ-OD1 3.76Å; R60-D64 IonicContact NH1-OD1 2.74Å; R60-D64 PolarHBondContact NH1-OD1 2.87Å; D61-D64 PolarHBondContact O-N 3.35Å; D61-D64 VanDerWaalsContact O-N 3.07Å; D61-D64 PolarHBondContact OD1-N 3.33Å; D61-D64 VanDerWaalsContact OD1-N 3.17Å |
| 65 | R | 73.1 | Confident | 68.3 | Low | 59 Ų | 59 | 87.2 Ų | 87.2 | 22% | 0.223 | 45% | 0.453 | C | S | . | . | trans | -95.3 | 131.7 | 175.3 | -58.4 | 175.7 | -178.7 | -162.4 | 2.2 | 109.5 | S47 R49 R60 D61 R63 R67 | S47-R65 WeakPolarHBondContact O-CD 3.47Å; R49-R65 HydrophobicContact CG-CG 4.42Å; R60-R65 CarbonylContact C-O 3.59Å; R60-R65 WeakPolarHBondContact CA-O 3.4Å; D61-R65 PolarHBondContact N-O 2.81Å; D61-R65 WeakPolarHBondContact OD1-CB 3.44Å; D61-R65 PolarHBondContact OD1-N 3.41Å; R63-R65 HydrophobicContact CB-CG 4.44Å; R63-R65 PolarHBondContact O-N 3.03Å; R65-R67 PolarHBondContact O-N 3.27Å | ||
| 66 | C | 71.5 | Confident | 66.9 | Low | 0 Ų | 0 | 94 Ų | 94 | 0% | 0 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 113.5 | 175.8 | -65.9 | 0 | 0 | 0 | 0 | 110 | V46 L50 C54 K58 | V46-C66 WeakPolarHBondContact CG1-O 3.42Å; V46-C66 VanDerWaalsContact O-O 3.08Å; L50-C66 HydrophobicContact CB-CB 4.08Å; L50-C66 HydrophobicContact CD1-CB 3.62Å; L50-C66 HydrophobicContact CG-CB 4.48Å; C54-C66 WeakPolarHBondContact CA-SG 3.5Å; C54-C66 HydrophobicContact CB-CB 3.82Å; C54-C66 WeakPolarHBondContact CB-SG 3.18Å; C54-C66 WeakPolarHBondContact SG-CB 3.33Å; C54-C66 CovalentContact SG-SG 2.03Å; C54-C66 PolarHBondContact SG-SG 3.14Å; K58-C66 HydrophobicContact CB-CB 4.44Å |
| 67 | R | 66.4 | Low | 66.5 | Low | 72 Ų | 72 | 93.2 Ų | 93.2 | 27% | 0.272 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 148.2 | 176.2 | -60.7 | -175.9 | -179.3 | -113.8 | 1.2 | 109.9 | K58 M59 D61 R65 A69 | K58-R67 CarbonylContact C-O 3.47Å; K58-R67 WeakPolarHBondContact CA-O 3.43Å; K58-R67 VanDerWaalsContact CB-O 3.22Å; K58-R67 WeakPolarHBondContact CB-O 3.26Å; M59-R67 PolarHBondContact N-O 3.33Å; M59-R67 PolarHBondContact O-N 2.99Å; M59-R67 VanDerWaalsContact O-O 3.1Å; D61-R67 HydrophobicContact CB-CG 4.48Å; D61-R67 IonicContact OD2-CZ 3.22Å; D61-R67 VanDerWaalsContact OD2-CZ 3.22Å; D61-R67 IonicContact OD2-NE 2.74Å; D61-R67 PolarHBondContact OD2-NE 3.12Å; D61-R67 IonicContact OD2-NH2 2.81Å; D61-R67 PolarHBondContact OD2-NH2 3.19Å; R65-R67 PolarHBondContact O-N 3.27Å; R67-A69 PolarHBondContact O-N 2.99Å |
| 68 | R | 64.3 | Low | 66.3 | Low | 108 Ų | 108 | 95.3 Ų | 95.3 | 41% | 0.408 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 132 | 169 | -153.1 | 174.8 | -158.6 | 179 | -0.9 | 109.8 | L45 G57 V70 I71 | L45-R68 PolarHBondContact O-N 3.18Å; G57-R68 WeakPolarHBondContact O-CG 3.46Å; R68-V70 PolarHBondContact O-N 2.96Å; R68-I71 HydrophobicContact CG-CD1 4.44Å |
| 69 | A | 62.2 | Low | 66 | Low | 52 Ų | 52 | 97.3 Ų | 97.3 | 43% | 0.43 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 131.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | G57 R67 I71 | G57-A69 PolarHBondContact O-N 2.92Å; R67-A69 PolarHBondContact O-N 2.99Å; A69-I71 PolarHBondContact O-N 3.21Å |
| 70 | V | 59.6 | Low | 65.6 | Low | 58 Ų | 58 | 94.9 Ų | 94.9 | 35% | 0.352 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -46.2 | 116.6 | -173.7 | 172.2 | 0 | 0 | 0 | 0 | 109.8 | F32 R68 F72 | F32-V70 HydrophobicContact CE2-CG1 3.82Å; F32-V70 HydrophobicContact CZ-CG1 4.28Å; F32-V70 HydrophobicContact CZ-CG2 4.49Å; R68-V70 PolarHBondContact O-N 2.96Å; V70-F72 HydrophobicContact CG1-CD1 4.28Å; V70-F72 HydrophobicContact CG1-CD2 4.3Å; V70-F72 HydrophobicContact CG1-CE1 3.97Å; V70-F72 HydrophobicContact CG1-CE2 3.94Å; V70-F72 HydrophobicContact CG1-CG 4.47Å; V70-F72 HydrophobicContact CG1-CZ 3.78Å |
| 71 | I | 58.3 | Low | 65 | Low | 91 Ų | 91 | 96.3 Ų | 96.3 | 47% | 0.467 | 48% | 0.481 | S | S | . | . | trans | -97.9 | 114.1 | 167.9 | -55.8 | -176.1 | 0 | 0 | 0 | 106.4 | R68 A69 G73 | R68-I71 HydrophobicContact CG-CD1 4.44Å; A69-I71 PolarHBondContact O-N 3.21Å; I71-G73 PolarHBondContact O-N 3.13Å | ||
| 72 | F | 59.5 | Low | 64.4 | Low | 103 Ų | 103 | 100.9 Ų | 100.9 | 45% | 0.452 | 50% | 0.504 | S | S | . | . | trans | -72.9 | 118.1 | 165.7 | -61.2 | -75.8 | 0 | 0 | 0 | 107.6 | F32 L40 V70 R74 | F32-F72 HydrophobicContact CD2-CD1 4.37Å; F32-F72 AromaticContact CD2-CE1 3.51Å; F32-F72 HydrophobicContact CD2-CE1 3.51Å; F32-F72 HydrophobicContact CD2-CZ 4.29Å; F32-F72 AromaticContact CE2-CE1 3.77Å; F32-F72 HydrophobicContact CE2-CE1 3.77Å; F32-F72 HydrophobicContact CE2-CZ 4.21Å; F32-F72 HydrophobicContact CG-CE1 4.05Å; L40-F72 HydrophobicContact CB-CD1 3.82Å; L40-F72 HydrophobicContact CB-CE1 4.3Å; L40-F72 HydrophobicContact CD1-CD1 3.85Å; L40-F72 HydrophobicContact CD1-CE1 4.19Å; L40-F72 HydrophobicContact CD1-CG 4.49Å; L40-F72 HydrophobicContact CG-CD1 4.32Å; V70-F72 HydrophobicContact CG1-CD1 4.28Å; V70-F72 HydrophobicContact CG1-CD2 4.3Å; V70-F72 HydrophobicContact CG1-CE1 3.97Å; V70-F72 HydrophobicContact CG1-CE2 3.94Å; V70-F72 HydrophobicContact CG1-CG 4.47Å; V70-F72 HydrophobicContact CG1-CZ 3.78Å; F72-R74 PolarHBondContact O-N 3.29Å | ||
| 73 | G | 59.7 | Low | 63.4 | Low | 45 Ų | 45 | 96.2 Ų | 96.2 | 46% | 0.464 | 49% | 0.485 | S | S | . | . | trans | -61.8 | 124.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | I71 S75 | I71-G73 PolarHBondContact O-N 3.13Å; G73-S75 PolarHBondContact O-N 2.96Å; G73-S75 VanDerWaalsContact O-N 3.12Å | ||
| 74 | R | 58.4 | Low | 62.5 | Low | 244 Ų | 244 | 92.1 Ų | 92.1 | 92% | 0.921 | 48% | 0.478 | S | S | * | . | trans | -66.5 | 108.7 | 161 | -88.3 | -178.4 | 176.3 | 145.2 | -1.3 | 106 | F72 T76 | F72-R74 PolarHBondContact O-N 3.29Å; R74-T76 PolarHBondContact O-N 3.17Å | ||
| 75 | S | 59.4 | Low | 61.5 | Low | 77 Ų | 77 | 92.2 Ų | 92.2 | 54% | 0.538 | 48% | 0.478 | S | S | . | . | trans | -68.7 | 107.1 | 154.5 | 61.2 | 0 | 0 | 0 | 0 | 105.5 | G73 | G73-S75 PolarHBondContact O-N 2.96Å; G73-S75 VanDerWaalsContact O-N 3.12Å | ||
| 76 | T | 46.3 | Very low | 60.5 | Low | 197 Ų | 197 | 95.2 Ų | 95.2 | 100% | 1.209 | 50% | 0.501 | S | S | * | . | trans | -53.7 | 0 | 158.9 | 46.8 | 0 | 0 | 0 | 0 | 109.6 | R74 | R74-T76 PolarHBondContact O-N 3.17Š|
Retrieved 76 of 76 residues in 18.2 ms
(Link to these results)