| 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 | 53.6 | Low | 79 | Confident | 228 Ų | 228 | 118.7 Ų | 118.7 | 100% | 1.123 | 64% | 0.635 | S | S | * | * | 0 | 77 | 0 | -68.1 | 151.6 | 63.7 | 0 | 0 | 109.4 | |||||
| 2 | N | 61.9 | Low | 79.4 | Confident | 130 Ų | 130 | 116.7 Ų | 116.7 | 70% | 0.695 | 62% | 0.623 | S | S | * | * | trans | -131.8 | -4.9 | 177.8 | -78.7 | -31.2 | 0 | 0 | 0 | 112.7 | H4 L5 S6 | N2-H4 PolarHBondContact O-N 3.21Å; N2-L5 PolarHBondContact O-N 3.29Å; N2-S6 PolarHBondContact O-N 3.43Å | ||
| 3 | L | 67.4 | Low | 79.4 | Confident | 150 Ų | 150 | 115.3 Ų | 115.3 | 79% | 0.785 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.4 | -37.3 | -178.6 | -111.3 | 79.9 | 0 | 0 | 0 | 112.4 | L5 S6 A7 | L3-L5 VanDerWaalsContact C-N 3.34Å; L3-L5 PolarHBondContact O-N 2.76Å; L3-S6 PolarHBondContact O-N 2.91Å; L3-A7 WeakPolarHBondContact O-CB 3.29Å; L3-A7 PolarHBondContact O-N 3.3Å |
| 4 | H | 79.4 | Confident | 79.4 | Confident | 166 Ų | 166 | 116.5 Ų | 116.5 | 77% | 0.769 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.1 | -38.5 | -179.8 | -70.2 | -67.1 | 0 | 0 | 0 | 112.6 | N2 L8 | N2-H4 PolarHBondContact O-N 3.21Å; H4-L8 VanDerWaalsContact O-CB 3.25Å; H4-L8 WeakPolarHBondContact O-CB 3.19Å; H4-L8 PolarHBondContact O-N 3.02Å |
| 5 | L | 84.1 | Confident | 79.2 | Confident | 104 Ų | 104 | 117.2 Ų | 117.2 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69.3 | -41.5 | 177.8 | -171 | 64.6 | 0 | 0 | 0 | 110.9 | N2 L3 L8 L9 | N2-L5 PolarHBondContact O-N 3.29Å; L3-L5 VanDerWaalsContact C-N 3.34Å; L3-L5 PolarHBondContact O-N 2.76Å; L5-L8 PolarHBondContact O-N 3.3Å; L5-L9 HydrophobicContact CG-CD1 4.2Å; L5-L9 WeakPolarHBondContact O-CB 3.31Å; L5-L9 VanDerWaalsContact O-CG 3.22Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 3.14Å |
| 6 | S | 85.8 | Confident | 78.3 | Confident | 70 Ų | 70 | 117.1 Ų | 117.1 | 49% | 0.49 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65 | -41.9 | 177.2 | -166.2 | 0 | 0 | 0 | 0 | 112.2 | N2 L3 L9 L10 | N2-S6 PolarHBondContact O-N 3.43Å; L3-S6 PolarHBondContact O-N 2.91Å; S6-L9 PolarHBondContact O-N 3.49Å; S6-L10 WeakPolarHBondContact O-CG 3.41Å; S6-L10 PolarHBondContact O-N 3.49Å |
| 7 | A | 86.8 | Confident | 77 | Confident | 59 Ų | 59 | 115.5 Ų | 115.5 | 49% | 0.488 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65 | -40.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L3 L10 L11 | L3-A7 WeakPolarHBondContact O-CB 3.29Å; L3-A7 PolarHBondContact O-N 3.3Å; A7-L10 PolarHBondContact O-N 3.23Å; A7-L11 WeakPolarHBondContact O-CB 3.29Å; A7-L11 PolarHBondContact O-N 3.01Å |
| 8 | L | 90.8 | Very high | 75.9 | Confident | 92 Ų | 92 | 115.6 Ų | 115.6 | 48% | 0.482 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.1 | -42.5 | 176.5 | -176.8 | 66.1 | 0 | 0 | 0 | 111.8 | H4 L5 L11 L12 | H4-L8 VanDerWaalsContact O-CB 3.25Å; H4-L8 WeakPolarHBondContact O-CB 3.19Å; H4-L8 PolarHBondContact O-N 3.02Å; L5-L8 PolarHBondContact O-N 3.3Å; L8-L11 PolarHBondContact O-N 3.26Å; L8-L12 HydrophobicContact CG-CD1 4.15Å; L8-L12 WeakPolarHBondContact O-CB 3.36Å; L8-L12 WeakPolarHBondContact O-CG 3.35Å; L8-L12 PolarHBondContact O-N 2.78Å |
| 9 | L | 86.8 | Confident | 74.7 | Confident | 98 Ų | 98 | 111.8 Ų | 111.8 | 51% | 0.513 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.5 | -41.9 | 176.7 | -72.6 | 167.3 | 0 | 0 | 0 | 111.6 | L5 S6 L12 V13 | L5-L9 HydrophobicContact CG-CD1 4.2Å; L5-L9 WeakPolarHBondContact O-CB 3.31Å; L5-L9 VanDerWaalsContact O-CG 3.22Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 3.14Å; S6-L9 PolarHBondContact O-N 3.49Å; L9-L12 PolarHBondContact O-N 3.03Å; L9-V13 WeakPolarHBondContact O-CG2 3.42Å; L9-V13 PolarHBondContact O-N 2.92Å |
| 10 | L | 85.6 | Confident | 73.6 | Confident | 108 Ų | 108 | 115 Ų | 115 | 57% | 0.565 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.9 | -44.2 | 174.3 | -74.9 | 165.6 | 0 | 0 | 0 | 111.7 | S6 A7 L12 V13 I14 | S6-L10 WeakPolarHBondContact O-CG 3.41Å; S6-L10 PolarHBondContact O-N 3.49Å; A7-L10 PolarHBondContact O-N 3.23Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-L12 PolarHBondContact O-N 3.45Å; L10-V13 PolarHBondContact O-N 3.11Å; L10-I14 WeakPolarHBondContact O-CD1 3.5Å; L10-I14 VanDerWaalsContact O-CG1 3.23Å; L10-I14 WeakPolarHBondContact O-CG1 3.33Å; L10-I14 PolarHBondContact O-N 2.97Å; L10-I14 VanDerWaalsContact O-N 3.08Å |
| 11 | L | 86.6 | Confident | 72.8 | Confident | 101 Ų | 101 | 111.9 Ų | 111.9 | 53% | 0.529 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -59.2 | -44.5 | 176.9 | -166.2 | 84 | 0 | 0 | 0 | 111.4 | A7 L8 V13 I14 L15 | A7-L11 WeakPolarHBondContact O-CB 3.29Å; A7-L11 PolarHBondContact O-N 3.01Å; L8-L11 PolarHBondContact O-N 3.26Å; L11-V13 PolarHBondContact O-N 2.82Å; L11-I14 PolarHBondContact O-N 3.07Å; L11-L15 HydrophobicContact CG-CD1 4.37Å; L11-L15 WeakPolarHBondContact O-CG 3.46Å; L11-L15 PolarHBondContact O-N 3.36Å; L11-L15 VanDerWaalsContact O-N 3.12Å |
| 12 | L | 83.8 | Confident | 73 | Confident | 94 Ų | 94 | 105.2 Ų | 105.2 | 49% | 0.492 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.3 | -44.9 | 176.8 | -79.1 | 159.8 | 0 | 0 | 0 | 111.6 | L8 L9 L10 I14 L15 L16 | L8-L12 HydrophobicContact CG-CD1 4.15Å; L8-L12 WeakPolarHBondContact O-CB 3.36Å; L8-L12 WeakPolarHBondContact O-CG 3.35Å; L8-L12 PolarHBondContact O-N 2.78Å; L9-L12 PolarHBondContact O-N 3.03Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-L12 PolarHBondContact O-N 3.45Å; L12-I14 VanDerWaalsContact C-N 3.33Å; L12-I14 PolarHBondContact O-N 3.31Å; L12-L15 PolarHBondContact O-N 2.92Å; L12-L16 WeakPolarHBondContact O-CD1 3.03Å; L12-L16 PolarHBondContact O-N 2.89Å |
| 13 | V | 80.3 | Confident | 73 | Confident | 99 Ų | 99 | 102.4 Ų | 102.4 | 60% | 0.6 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.5 | -40.2 | 177.9 | 171.9 | 0 | 0 | 0 | 0 | 112 | L9 L10 L11 L15 L16 | L9-V13 WeakPolarHBondContact O-CG2 3.42Å; L9-V13 PolarHBondContact O-N 2.92Å; L10-V13 PolarHBondContact O-N 3.11Å; L11-V13 PolarHBondContact O-N 2.82Å; V13-L15 VanDerWaalsContact C-N 3.33Å; V13-L16 PolarHBondContact O-N 2.95Å |
| 14 | I | 78.4 | Confident | 72.8 | Confident | 132 Ų | 132 | 98.7 Ų | 98.7 | 68% | 0.677 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.7 | -31 | 179.9 | -59.8 | 158.6 | 0 | 0 | 0 | 111.6 | L10 L11 L12 L16 | L10-I14 WeakPolarHBondContact O-CD1 3.5Å; L10-I14 VanDerWaalsContact O-CG1 3.23Å; L10-I14 WeakPolarHBondContact O-CG1 3.33Å; L10-I14 PolarHBondContact O-N 2.97Å; L10-I14 VanDerWaalsContact O-N 3.08Å; L11-I14 PolarHBondContact O-N 3.07Å; L12-I14 VanDerWaalsContact C-N 3.33Å; L12-I14 PolarHBondContact O-N 3.31Å; I14-L16 VanDerWaalsContact C-N 3.28Å; I14-L16 PolarHBondContact O-N 3.17Å |
| 15 | L | 77.1 | Confident | 72.6 | Confident | 127 Ų | 127 | 94.4 Ų | 94.4 | 67% | 0.665 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -76.1 | -12.4 | 177.2 | -71.9 | 170.1 | 0 | 0 | 0 | 113.5 | L11 L12 V13 P17 | L11-L15 HydrophobicContact CG-CD1 4.37Å; L11-L15 WeakPolarHBondContact O-CG 3.46Å; L11-L15 PolarHBondContact O-N 3.36Å; L11-L15 VanDerWaalsContact O-N 3.12Å; L12-L15 PolarHBondContact O-N 2.92Å; V13-L15 VanDerWaalsContact C-N 3.33Å; L15-P17 WeakPolarHBondContact O-CD 3.23Å |
| 16 | L | 64.6 | Low | 72.4 | Confident | 115 Ų | 115 | 96.6 Ų | 96.6 | 60% | 0.602 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -64.9 | 126.3 | 172.6 | -82.8 | 114.5 | 0 | 0 | 0 | 109.1 | L12 V13 I14 S18 | L12-L16 WeakPolarHBondContact O-CD1 3.03Å; L12-L16 PolarHBondContact O-N 2.89Å; V13-L16 PolarHBondContact O-N 2.95Å; I14-L16 VanDerWaalsContact C-N 3.28Å; I14-L16 PolarHBondContact O-N 3.17Å; L16-S18 PolarHBondContact O-N 2.03Å |
| 17 | P | 56.8 | Low | 72.5 | Confident | 91 Ų | 91 | 94.3 Ų | 94.3 | 59% | 0.591 | 56% | 0.556 | S | S | * | * | trans | -63.9 | 101.4 | 178.5 | 25.3 | -32.3 | 0 | 0 | 0 | 108.9 | L15 G19 K20 | L15-P17 WeakPolarHBondContact O-CD 3.23Å; P17-G19 PolarHBondContact O-N 3.41Å; P17-K20 HydrophobicContact CB-CG 4.17Å; P17-K20 HydrophobicContact CG-CG 4.14Å; P17-K20 PolarHBondContact O-N 3.46Å | ||
| 18 | S | 57.1 | Low | 72.6 | Confident | 117 Ų | 117 | 95.1 Ų | 95.1 | 82% | 0.818 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -14.3 | 176.9 | 13.7 | 0 | 0 | 0 | 0 | 112.2 | L16 | L16-S18 PolarHBondContact O-N 2.03Š|
| 19 | G | 52.6 | Low | 72.7 | Confident | 43 Ų | 43 | 99.1 Ų | 99.1 | 44% | 0.443 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.6 | -21.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | P17 G21 M22 | P17-G19 PolarHBondContact O-N 3.41Å; G19-G21 VanDerWaalsContact C-N 3.29Å; G19-G21 PolarHBondContact O-N 2.82Å; G19-M22 PolarHBondContact O-N 3.44Å |
| 20 | K | 52.8 | Low | 73 | Confident | 175 Ų | 175 | 95.2 Ų | 95.2 | 76% | 0.761 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -15.9 | -174.3 | -71.7 | -121.5 | -177.5 | -175.8 | 0 | 114.1 | P17 | P17-K20 HydrophobicContact CB-CG 4.17Å; P17-K20 HydrophobicContact CG-CG 4.14Å; P17-K20 PolarHBondContact O-N 3.46Å |
| 21 | G | 56.1 | Low | 73.4 | Confident | 50 Ų | 50 | 101.1 Ų | 101.1 | 52% | 0.515 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.8 | -19.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G19 N25 | G19-G21 VanDerWaalsContact C-N 3.29Å; G19-G21 PolarHBondContact O-N 2.82Å; G21-N25 WeakPolarHBondContact O-CB 3.03Å; G21-N25 PolarHBondContact O-ND2 2.97Å |
| 22 | M | 59.2 | Low | 73.6 | Confident | 89 Ų | 89 | 100.9 Ų | 100.9 | 44% | 0.438 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.6 | -34.4 | -172.6 | -171.4 | 163.2 | 74.7 | 0 | 0 | 112.9 | G19 P46 | G19-M22 PolarHBondContact O-N 3.44Å; M22-P46 HydrophobicContact SD-CG 4.22Å |
| 23 | F | 61.8 | Low | 74.1 | Confident | 70 Ų | 70 | 96.5 Ų | 96.5 | 31% | 0.307 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -120.8 | 138.4 | -178.6 | -65.8 | -64.2 | 0 | 0 | 0 | 109.8 | N25 E74 | F23-N25 VanDerWaalsContact C-N 3.3Å; F23-N25 PolarHBondContact O-N 3.33Å; F23-E74 WeakPolarHBondContact CB-OE1 3.25Å; F23-E74 HydrophobicContact CD1-CG 3.55Å; F23-E74 HydrophobicContact CE1-CG 3.94Å; F23-E74 HydrophobicContact CG-CG 4.27Å |
| 24 | G | 63.4 | Low | 74.8 | Confident | 73 Ų | 73 | 94.9 Ų | 94.9 | 75% | 0.753 | 53% | 0.533 | S | S | * | . | S | Bend | trans | 74.9 | 9.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 25 | N | 73.6 | Confident | 75.6 | Confident | 76 Ų | 76 | 93 Ų | 93 | 41% | 0.406 | 53% | 0.532 | S | S | . | . | trans | -94.5 | 115 | 171.1 | -179.6 | -0.5 | 0 | 0 | 0 | 109.4 | G21 F23 G27 F41 | G21-N25 WeakPolarHBondContact O-CB 3.03Å; G21-N25 PolarHBondContact O-ND2 2.97Å; F23-N25 VanDerWaalsContact C-N 3.3Å; F23-N25 PolarHBondContact O-N 3.33Å; N25-G27 PolarHBondContact O-N 2.83Å; N25-G27 WeakPolarHBondContact OD1-CA 3.44Å; N25-G27 PolarHBondContact OD1-N 3.49Å; N25-F41 WeakPolarHBondContact O-CE1 3.09Å | ||
| 26 | D | 81.6 | Confident | 76.5 | Confident | 149 Ų | 149 | 94.1 Ų | 94.1 | 80% | 0.797 | 53% | 0.527 | S | S | * | . | trans | -76.1 | -4.2 | 178.7 | -69.1 | -37.5 | 0 | 0 | 0 | 113.8 | ||||
| 27 | G | 86.9 | Confident | 77.9 | Confident | 22 Ų | 22 | 97.5 Ų | 97.5 | 23% | 0.227 | 54% | 0.537 | C | S | . | . | trans | 68.8 | -171.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N25 C40 | N25-G27 PolarHBondContact O-N 2.83Å; N25-G27 WeakPolarHBondContact OD1-CA 3.44Å; N25-G27 PolarHBondContact OD1-N 3.49Å; G27-C40 CarbonylContact C-O 3.51Å; G27-C40 WeakPolarHBondContact CA-O 3.32Å | ||
| 28 | V | 89.6 | Confident | 79.8 | Confident | 76 Ų | 76 | 93.3 Ų | 93.3 | 46% | 0.461 | 51% | 0.51 | S | S | . | . | B | Isolated β-bridge | trans | -113.9 | 129.1 | -178.2 | -175.8 | 0 | 0 | 0 | 0 | 110 | V30 C40 L58 | V28-V30 HydrophobicContact CG1-CG2 4.26Å; V28-V30 PolarHBondContact O-N 2.88Å; V28-C40 HydrophobicContact CB-CB 4.36Å; V28-C40 PolarHBondContact N-O 3.26Å; V28-C40 VanDerWaalsContact O-CB 3.32Å; V28-C40 WeakPolarHBondContact O-CB 3.42Å; V28-C40 PolarHBondContact O-N 3.01Å; V28-L58 HydrophobicContact CG2-CD1 4.45Å |
| 29 | K | 92.8 | Very high | 81.5 | Confident | 177 Ų | 177 | 89.7 Ų | 89.7 | 77% | 0.77 | 48% | 0.483 | S | S | * | . | trans | -83.8 | 112 | 176.9 | -66.5 | 178.3 | -176 | 172.7 | 0 | 110.1 | ||||
| 30 | V | 92.9 | Very high | 83.5 | Confident | 16 Ų | 16 | 87.6 Ų | 87.6 | 10% | 0.097 | 46% | 0.462 | C | S | . | . | trans | -116.1 | 125.6 | 175 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | V28 T32 C33 T34 C40 C54 | V28-V30 HydrophobicContact CG1-CG2 4.26Å; V28-V30 PolarHBondContact O-N 2.88Å; V30-T32 PolarHBondContact O-N 3.07Å; V30-C33 HydrophobicContact CB-CB 4.35Å; V30-C33 WeakPolarHBondContact O-CA 3.42Å; V30-C33 PolarHBondContact O-N 2.03Å; V30-T34 PolarHBondContact O-N 2.75Å; V30-T34 PolarHBondContact O-OG1 3.03Å; V30-T34 VanDerWaalsContact O-OG1 3.07Å; V30-C40 HydrophobicContact CG2-CB 4.31Å; V30-C40 WeakPolarHBondContact CG2-SG 3.23Å; V30-C54 HydrophobicContact CG2-CB 4.36Å | ||
| 31 | R | 92.9 | Very high | 85.3 | Confident | 231 Ų | 231 | 80.2 Ų | 80.2 | 87% | 0.872 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -46.9 | -43.7 | -170.1 | -174.9 | 178.4 | 179.6 | -177.4 | 0.5 | 113.9 | S35 | R31-S35 PolarHBondContact O-N 3.45Å; R31-S35 VanDerWaalsContact O-N 3.07Å |
| 32 | T | 91.6 | Very high | 86.8 | Confident | 96 Ų | 96 | 85.5 Ų | 85.5 | 59% | 0.589 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -71.9 | -31.4 | -179.2 | 52.1 | 0 | 0 | 0 | 0 | 113.8 | V30 S35 | V30-T32 PolarHBondContact O-N 3.07Å; T32-S35 PolarHBondContact O-OG 3.02Å |
| 33 | C | 94.2 | Very high | 88.2 | Confident | 3 Ų | 3 | 83 Ų | 83 | 2% | 0.02 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -79.9 | -44.4 | 174.8 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | V30 S35 R36 A38 C60 | V30-C33 HydrophobicContact CB-CB 4.35Å; V30-C33 WeakPolarHBondContact O-CA 3.42Å; V30-C33 PolarHBondContact O-N 2.03Å; C33-S35 VanDerWaalsContact C-N 3.29Å; C33-S35 PolarHBondContact O-N 2.03Å; C33-R36 WeakPolarHBondContact O-CB 3.46Å; C33-R36 PolarHBondContact O-N 2.87Å; C33-A38 CarbonylContact C-O 3.52Å; C33-A38 PolarHBondContact O-N 3.29Å; C33-A38 VanDerWaalsContact SG-C 3.53Å; C33-A38 VanDerWaalsContact SG-CB 3.58Å; C33-C60 VanDerWaalsContact CA-SG 3.52Å; C33-C60 HydrophobicContact CB-CB 3.97Å; C33-C60 WeakPolarHBondContact CB-SG 3.32Å; C33-C60 WeakPolarHBondContact SG-CA 3.49Å; C33-C60 WeakPolarHBondContact SG-CB 3.05Å; C33-C60 CovalentContact SG-SG 2.03Å; C33-C60 PolarHBondContact SG-SG 3.31Å |
| 34 | T | 95.2 | Very high | 89.5 | Confident | 64 Ų | 64 | 81.7 Ų | 81.7 | 39% | 0.393 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.3 | -35.1 | 178.9 | -52.2 | 0 | 0 | 0 | 0 | 112.4 | V30 R36 K37 A38 | V30-T34 PolarHBondContact O-N 2.75Å; V30-T34 PolarHBondContact O-OG1 3.03Å; V30-T34 VanDerWaalsContact O-OG1 3.07Å; T34-R36 PolarHBondContact O-N 2.84Å; T34-R36 VanDerWaalsContact O-N 3.11Å; T34-K37 PolarHBondContact O-N 2.88Å; T34-A38 WeakPolarHBondContact CA-O 3.06Å; T34-A38 PolarHBondContact N-O 3.34Å |
| 35 | S | 95.7 | Very high | 90.7 | Very high | 93 Ų | 93 | 79.3 Ų | 79.3 | 65% | 0.65 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -20.2 | 175 | 68.5 | 0 | 0 | 0 | 0 | 113.5 | R31 T32 C33 | R31-S35 PolarHBondContact O-N 3.45Å; R31-S35 VanDerWaalsContact O-N 3.07Å; T32-S35 PolarHBondContact O-OG 3.02Å; C33-S35 VanDerWaalsContact C-N 3.29Å; C33-S35 PolarHBondContact O-N 2.03Å |
| 36 | R | 94.3 | Very high | 91.5 | Very high | 150 Ų | 150 | 77.9 Ų | 77.9 | 57% | 0.566 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 10.6 | 174.7 | -58.9 | -169.5 | 177 | -160.8 | -0.7 | 113.8 | C33 T34 A38 | C33-R36 WeakPolarHBondContact O-CB 3.46Å; C33-R36 PolarHBondContact O-N 2.87Å; T34-R36 PolarHBondContact O-N 2.84Å; T34-R36 VanDerWaalsContact O-N 3.11Å; R36-A38 VanDerWaalsContact C-N 3.31Å |
| 37 | K | 95.6 | Very high | 91.9 | Very high | 186 Ų | 186 | 70.9 Ų | 70.9 | 81% | 0.809 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 43.1 | -172.4 | -52.6 | -178.7 | -179.9 | -177.7 | 0 | 111.7 | T34 | T34-K37 PolarHBondContact O-N 2.88Š|
| 38 | A | 95.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 73.6 Ų | 73.6 | 3% | 0.025 | 37% | 0.368 | C | S | . | . | trans | -130.3 | 164.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | C33 T34 R36 I51 C60 C61 K62 | C33-A38 CarbonylContact C-O 3.52Å; C33-A38 PolarHBondContact O-N 3.29Å; C33-A38 VanDerWaalsContact SG-C 3.53Å; C33-A38 VanDerWaalsContact SG-CB 3.58Å; T34-A38 WeakPolarHBondContact CA-O 3.06Å; T34-A38 PolarHBondContact N-O 3.34Å; R36-A38 VanDerWaalsContact C-N 3.31Å; A38-I51 HydrophobicContact CB-CD1 4.28Å; A38-C60 VanDerWaalsContact CB-SG 3.59Å; A38-C61 WeakPolarHBondContact CA-O 3.31Å; A38-C61 WeakPolarHBondContact CB-O 3.08Å; A38-K62 HydrophobicContact CB-CB 4Å | ||
| 39 | V | 94.1 | Very high | 92.3 | Very high | 41 Ų | 41 | 75.8 Ų | 75.8 | 25% | 0.248 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 149.8 | -178.2 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | F41 C61 | V39-F41 HydrophobicContact CB-CE2 3.8Å; V39-F41 HydrophobicContact CB-CZ 4.22Å; V39-F41 HydrophobicContact CG1-CE2 3.97Å; V39-F41 HydrophobicContact CG1-CZ 4.04Å; V39-C61 PolarHBondContact N-O 3.04Å; V39-C61 PolarHBondContact O-N 3.49Å |
| 40 | C | 93 | Very high | 92.4 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 133.6 | -179.1 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | G27 V28 V30 C54 L58 S59 | G27-C40 CarbonylContact C-O 3.51Å; G27-C40 WeakPolarHBondContact CA-O 3.32Å; V28-C40 HydrophobicContact CB-CB 4.36Å; V28-C40 PolarHBondContact N-O 3.26Å; V28-C40 VanDerWaalsContact O-CB 3.32Å; V28-C40 WeakPolarHBondContact O-CB 3.42Å; V28-C40 PolarHBondContact O-N 3.01Å; V30-C40 HydrophobicContact CG2-CB 4.31Å; V30-C40 WeakPolarHBondContact CG2-SG 3.23Å; C40-C54 HydrophobicContact CB-CB 3.73Å; C40-C54 WeakPolarHBondContact CB-SG 3.38Å; C40-C54 WeakPolarHBondContact SG-CB 3.37Å; C40-C54 CovalentContact SG-SG 2.03Å; C40-C54 PolarHBondContact SG-SG 3.23Å; C40-L58 HydrophobicContact CB-CB 4.31Å; C40-L58 HydrophobicContact CB-CD1 4.47Å; C40-S59 CarbonylContact C-O 3.59Å; C40-S59 VanDerWaalsContact CA-O 3.23Å; C40-S59 WeakPolarHBondContact CA-O 3.02Å |
| 41 | F | 91.3 | Very high | 92.5 | Very high | 19 Ų | 19 | 74.9 Ų | 74.9 | 8% | 0.083 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 162.9 | 177 | -65 | -85.1 | 0 | 0 | 0 | 111.5 | N25 V39 G43 P45 Y48 L58 S59 C61 | N25-F41 WeakPolarHBondContact O-CE1 3.09Å; V39-F41 HydrophobicContact CB-CE2 3.8Å; V39-F41 HydrophobicContact CB-CZ 4.22Å; V39-F41 HydrophobicContact CG1-CE2 3.97Å; V39-F41 HydrophobicContact CG1-CZ 4.04Å; F41-G43 VanDerWaalsContact C-N 3.28Å; F41-G43 WeakPolarHBondContact CB-O 3.44Å; F41-G43 PolarHBondContact O-N 3.38Å; F41-P45 HydrophobicContact CD1-CG 4.48Å; F41-P45 HydrophobicContact CD2-CG 4.33Å; F41-P45 HydrophobicContact CE2-CG 4.41Å; F41-P45 HydrophobicContact CG-CG 4.35Å; F41-Y48 HydrophobicContact CE2-CD1 4.21Å; F41-Y48 HydrophobicContact CE2-CE1 4.06Å; F41-Y48 HydrophobicContact CZ-CE1 4.46Å; F41-L58 CarbonylContact O-C 3.55Å; F41-L58 WeakPolarHBondContact O-CA 3.23Å; F41-S59 PolarHBondContact N-O 3.08Å; F41-S59 PolarHBondContact O-N 3.43Å; F41-C61 HydrophobicContact CD2-CB 3.83Å; F41-C61 HydrophobicContact CE2-CB 4.35Å |
| 42 | F | 88.6 | Confident | 92.6 | Very high | 161 Ų | 161 | 65.6 Ų | 65.6 | 71% | 0.706 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -79.1 | 79.8 | 170.7 | -167.1 | -100.1 | 0 | 0 | 0 | 109.7 | I57 L58 | F42-I57 HydrophobicContact CD2-CD1 4.31Å; F42-I57 HydrophobicContact CD2-CG1 4.27Å; F42-I57 HydrophobicContact CE2-CB 4.45Å; F42-I57 HydrophobicContact CE2-CD1 3.73Å; F42-I57 HydrophobicContact CE2-CG1 3.99Å; F42-L58 HydrophobicContact CB-CD2 4.1Å; F42-L58 HydrophobicContact CD2-CD2 4.17Å |
| 43 | G | 87.4 | Confident | 92.7 | Very high | 36 Ų | 36 | 67.8 Ų | 67.8 | 37% | 0.371 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 79.5 | 150.5 | -162.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F41 | F41-G43 VanDerWaalsContact C-N 3.28Å; F41-G43 WeakPolarHBondContact CB-O 3.44Å; F41-G43 PolarHBondContact O-N 3.38Å |
| 44 | C | 90.1 | Very high | 92.5 | Very high | 43 Ų | 43 | 67.9 Ų | 67.9 | 29% | 0.291 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 128.9 | -178.8 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | W50 C61 | C44-W50 WeakPolarHBondContact SG-CA 3.4Å; C44-C61 WeakPolarHBondContact CA-SG 3.49Å; C44-C61 HydrophobicContact CB-CB 3.82Å; C44-C61 WeakPolarHBondContact CB-SG 3.45Å; C44-C61 WeakPolarHBondContact SG-CB 3.4Å; C44-C61 CovalentContact SG-SG 2.03Å; C44-C61 PolarHBondContact SG-SG 3.24Å |
| 45 | P | 89.1 | Confident | 91.6 | Very high | 23 Ų | 23 | 72.8 Ų | 72.8 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 158.5 | 174.7 | 25.4 | -30.1 | 0 | 0 | 0 | 111.4 | F41 G47 Y48 | F41-P45 HydrophobicContact CD1-CG 4.48Å; F41-P45 HydrophobicContact CD2-CG 4.33Å; F41-P45 HydrophobicContact CE2-CG 4.41Å; F41-P45 HydrophobicContact CG-CG 4.35Å; P45-G47 PolarHBondContact O-N 3.05Å; P45-Y48 HydrophobicContact CB-CD2 4.38Å; P45-Y48 HydrophobicContact CG-CD2 3.6Å; P45-Y48 HydrophobicContact CG-CE2 4.03Å; P45-Y48 HydrophobicContact CG-CG 3.94Å; P45-Y48 WeakPolarHBondContact O-CB 3.48Å; P45-Y48 PolarHBondContact O-N 2.82Å |
| 46 | P | 89.2 | Confident | 90.5 | Very high | 46 Ų | 46 | 74.8 Ų | 74.8 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 138.5 | 172.6 | -24.4 | 34 | 0 | 0 | 0 | 111.4 | M22 Y48 P69 Q71 | M22-P46 HydrophobicContact SD-CG 4.22Å; P46-Y48 VanDerWaalsContact C-N 3.3Å; P46-P69 HydrophobicContact CB-CG 4.21Å; P46-Q71 HydrophobicContact CB-CB 4Å; P46-Q71 HydrophobicContact CG-CB 4.32Å |
| 47 | G | 90.2 | Very high | 90 | Very high | 2 Ų | 2 | 73.1 Ų | 73.1 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | P45 N63 M64 A72 | P45-G47 PolarHBondContact O-N 3.05Å; G47-N63 PolarHBondContact O-OD1 3.43Å; G47-M64 VanDerWaalsContact CA-CE 3.48Å; G47-M64 VanDerWaalsContact O-CB 3.29Å; G47-M64 WeakPolarHBondContact O-CB 3.22Å; G47-M64 WeakPolarHBondContact O-CG 3.32Å; G47-M64 PolarHBondContact O-N 2.94Å; G47-A72 VanDerWaalsContact CA-CB 3.46Å |
| 48 | Y | 92.3 | Very high | 89.7 | Confident | 80 Ų | 80 | 66.4 Ų | 66.4 | 31% | 0.314 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 140.8 | 173.6 | -68.5 | -114.5 | 0 | 0 | 0 | 111.5 | F41 P45 P46 C61 K62 N63 | F41-Y48 HydrophobicContact CE2-CD1 4.21Å; F41-Y48 HydrophobicContact CE2-CE1 4.06Å; F41-Y48 HydrophobicContact CZ-CE1 4.46Å; P45-Y48 HydrophobicContact CB-CD2 4.38Å; P45-Y48 HydrophobicContact CG-CD2 3.6Å; P45-Y48 HydrophobicContact CG-CE2 4.03Å; P45-Y48 HydrophobicContact CG-CG 3.94Å; P45-Y48 WeakPolarHBondContact O-CB 3.48Å; P45-Y48 PolarHBondContact O-N 2.82Å; P46-Y48 VanDerWaalsContact C-N 3.3Å; Y48-C61 HydrophobicContact CD1-CB 4.07Å; Y48-C61 HydrophobicContact CG-CB 4.38Å; Y48-K62 CarbonylContact C-O 3.52Å; Y48-K62 VanDerWaalsContact CA-O 3.31Å; Y48-K62 WeakPolarHBondContact CA-O 3.39Å; Y48-N63 HydrophobicContact CD1-CB 4.19Å; Y48-N63 HydrophobicContact CE1-CB 3.88Å |
| 49 | Q | 93.6 | Very high | 89.6 | Confident | 121 Ų | 121 | 66.8 Ų | 66.8 | 57% | 0.565 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 132.9 | 174.4 | -176.2 | 177.4 | 6.6 | 0 | 0 | 110.2 | C61 K62 M64 | Q49-C61 CarbonylContact O-C 3.59Å; Q49-C61 WeakPolarHBondContact O-CA 3.45Å; Q49-K62 PolarHBondContact N-O 2.94Å; Q49-K62 PolarHBondContact O-N 2.77Å; Q49-M64 HydrophobicContact CB-CG 3.8Å; Q49-M64 HydrophobicContact CB-SD 4.2Å |
| 50 | W | 94.8 | Very high | 89.7 | Confident | 122 Ų | 122 | 65 Ų | 65 | 46% | 0.462 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 135.3 | 171.5 | -175.1 | 95.6 | 0 | 0 | 0 | 111.4 | C44 F53 S59 | C44-W50 WeakPolarHBondContact SG-CA 3.4Å; W50-F53 HydrophobicContact CH2-CE2 4.44Å; W50-F53 AromaticContact CZ2-CD2 3.89Å; W50-F53 HydrophobicContact CZ2-CD2 3.89Å; W50-F53 HydrophobicContact CZ2-CE1 4.48Å; W50-F53 AromaticContact CZ2-CE2 3.77Å; W50-F53 HydrophobicContact CZ2-CE2 3.77Å; W50-F53 HydrophobicContact CZ2-CG 4.3Å; W50-F53 HydrophobicContact CZ2-CZ 4.08Å; W50-S59 VanDerWaalsContact CD1-CB 3.49Å; W50-S59 PolarHBondContact NE1-OG 2.76Å |
| 51 | I | 95 | Very high | 89.7 | Confident | 52 Ų | 52 | 65 Ų | 65 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | -42 | 179.9 | -59.6 | 174.8 | 0 | 0 | 0 | 112.4 | A38 C60 K62 | A38-I51 HydrophobicContact CB-CD1 4.28Å; I51-C60 PolarHBondContact N-O 3.47Å; I51-K62 HydrophobicContact CD1-CB 3.36Å; I51-K62 HydrophobicContact CD1-CD 3.8Å; I51-K62 HydrophobicContact CD1-CG 4.24Å; I51-K62 HydrophobicContact CG1-CB 4.28Å |
| 52 | A | 94.6 | Very high | 89.9 | Confident | 36 Ų | 36 | 68.4 Ų | 68.4 | 30% | 0.298 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 173 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | C60 | A52-C60 HydrophobicContact CB-CB 4.32Å; A52-C60 VanDerWaalsContact O-CB 3.31Å; A52-C60 WeakPolarHBondContact O-CB 3.37Å; A52-C60 PolarHBondContact O-N 3.33Å |
| 53 | F | 93.2 | Very high | 90.1 | Very high | 143 Ų | 143 | 64.5 Ų | 64.5 | 63% | 0.627 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 143.1 | 167.4 | -70.3 | -72.8 | 0 | 0 | 0 | 111.9 | W50 N56 L58 | W50-F53 HydrophobicContact CH2-CE2 4.44Å; W50-F53 AromaticContact CZ2-CD2 3.89Å; W50-F53 HydrophobicContact CZ2-CD2 3.89Å; W50-F53 HydrophobicContact CZ2-CE1 4.48Å; W50-F53 AromaticContact CZ2-CE2 3.77Å; W50-F53 HydrophobicContact CZ2-CE2 3.77Å; W50-F53 HydrophobicContact CZ2-CG 4.3Å; W50-F53 HydrophobicContact CZ2-CZ 4.08Å; F53-N56 WeakPolarHBondContact CD1-O 3.36Å; F53-L58 CarbonylContact C-O 3.58Å; F53-L58 WeakPolarHBondContact CA-O 3.4Å |
| 54 | C | 90.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.027 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 116.7 | 164.9 | -55.8 | 0 | 0 | 0 | 0 | 108.5 | V30 C40 N56 L58 C60 | V30-C54 HydrophobicContact CG2-CB 4.36Å; C40-C54 HydrophobicContact CB-CB 3.73Å; C40-C54 WeakPolarHBondContact CB-SG 3.38Å; C40-C54 WeakPolarHBondContact SG-CB 3.37Å; C40-C54 CovalentContact SG-SG 2.03Å; C40-C54 PolarHBondContact SG-SG 3.23Å; C54-N56 VanDerWaalsContact C-N 3.26Å; C54-N56 PolarHBondContact O-N 3.12Å; C54-L58 HydrophobicContact CB-CB 3.86Å; C54-L58 PolarHBondContact N-O 3.34Å; C54-C60 VanDerWaalsContact SG-CA 3.57Å; C54-C60 VanDerWaalsContact SG-CB 3.5Å |
| 55 | H | 76.5 | Confident | 90.3 | Very high | 168 Ų | 168 | 69.4 Ų | 69.4 | 78% | 0.778 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 33 | 51.7 | 171.2 | -60.9 | -41 | 0 | 0 | 0 | 115.2 | ||
| 56 | N | 73.1 | Confident | 90.3 | Very high | 135 Ų | 135 | 77.5 Ų | 77.5 | 72% | 0.722 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.4 | -100.6 | 177 | -146.6 | -23.6 | 0 | 0 | 0 | 114.9 | F53 C54 | F53-N56 WeakPolarHBondContact CD1-O 3.36Å; C54-N56 VanDerWaalsContact C-N 3.26Å; C54-N56 PolarHBondContact O-N 3.12Å |
| 57 | I | 82.2 | Confident | 90.2 | Very high | 114 Ų | 114 | 84.8 Ų | 84.8 | 59% | 0.585 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -11.7 | -167.1 | 69.8 | -171.4 | 0 | 0 | 0 | 114.8 | F42 | F42-I57 HydrophobicContact CD2-CD1 4.31Å; F42-I57 HydrophobicContact CD2-CG1 4.27Å; F42-I57 HydrophobicContact CE2-CB 4.45Å; F42-I57 HydrophobicContact CE2-CD1 3.73Å; F42-I57 HydrophobicContact CE2-CG1 3.99Å |
| 58 | L | 90.4 | Very high | 90.1 | Very high | 46 Ų | 46 | 88.8 Ų | 88.8 | 24% | 0.241 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 145.9 | 179.6 | -65 | 176.3 | 0 | 0 | 0 | 110.2 | V28 C40 F41 F42 F53 C54 | V28-L58 HydrophobicContact CG2-CD1 4.45Å; C40-L58 HydrophobicContact CB-CB 4.31Å; C40-L58 HydrophobicContact CB-CD1 4.47Å; F41-L58 CarbonylContact O-C 3.55Å; F41-L58 WeakPolarHBondContact O-CA 3.23Å; F42-L58 HydrophobicContact CB-CD2 4.1Å; F42-L58 HydrophobicContact CD2-CD2 4.17Å; F53-L58 CarbonylContact C-O 3.58Å; F53-L58 WeakPolarHBondContact CA-O 3.4Å; C54-L58 HydrophobicContact CB-CB 3.86Å; C54-L58 PolarHBondContact N-O 3.34Å |
| 59 | S | 93.1 | Very high | 89.8 | Confident | 11 Ų | 11 | 86.9 Ų | 86.9 | 8% | 0.077 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 128.4 | 177.6 | -70.4 | 0 | 0 | 0 | 0 | 110.4 | C40 F41 W50 C61 | C40-S59 CarbonylContact C-O 3.59Å; C40-S59 VanDerWaalsContact CA-O 3.23Å; C40-S59 WeakPolarHBondContact CA-O 3.02Å; F41-S59 PolarHBondContact N-O 3.08Å; F41-S59 PolarHBondContact O-N 3.43Å; W50-S59 VanDerWaalsContact CD1-CB 3.49Å; W50-S59 PolarHBondContact NE1-OG 2.76Å; S59-C61 PolarHBondContact O-N 2.93Å; S59-C61 PolarHBondContact O-SG 3.39Å |
| 60 | C | 95.4 | Very high | 89.4 | Confident | 4 Ų | 4 | 86.7 Ų | 86.7 | 3% | 0.027 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 112.7 | 168.6 | -176 | 0 | 0 | 0 | 0 | 108.9 | C33 A38 I51 A52 C54 | C33-C60 VanDerWaalsContact CA-SG 3.52Å; C33-C60 HydrophobicContact CB-CB 3.97Å; C33-C60 WeakPolarHBondContact CB-SG 3.32Å; C33-C60 WeakPolarHBondContact SG-CA 3.49Å; C33-C60 WeakPolarHBondContact SG-CB 3.05Å; C33-C60 CovalentContact SG-SG 2.03Å; C33-C60 PolarHBondContact SG-SG 3.31Å; A38-C60 VanDerWaalsContact CB-SG 3.59Å; I51-C60 PolarHBondContact N-O 3.47Å; A52-C60 HydrophobicContact CB-CB 4.32Å; A52-C60 VanDerWaalsContact O-CB 3.31Å; A52-C60 WeakPolarHBondContact O-CB 3.37Å; A52-C60 PolarHBondContact O-N 3.33Å; C54-C60 VanDerWaalsContact SG-CA 3.57Å; C54-C60 VanDerWaalsContact SG-CB 3.5Å |
| 61 | C | 94.6 | Very high | 89 | Confident | 0 Ų | 0 | 86.6 Ų | 86.6 | 0% | 0 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 133.7 | -170.3 | -51.9 | 0 | 0 | 0 | 0 | 110.5 | A38 V39 F41 C44 Y48 Q49 S59 | A38-C61 WeakPolarHBondContact CA-O 3.31Å; A38-C61 WeakPolarHBondContact CB-O 3.08Å; V39-C61 PolarHBondContact N-O 3.04Å; V39-C61 PolarHBondContact O-N 3.49Å; F41-C61 HydrophobicContact CD2-CB 3.83Å; F41-C61 HydrophobicContact CE2-CB 4.35Å; C44-C61 WeakPolarHBondContact CA-SG 3.49Å; C44-C61 HydrophobicContact CB-CB 3.82Å; C44-C61 WeakPolarHBondContact CB-SG 3.45Å; C44-C61 WeakPolarHBondContact SG-CB 3.4Å; C44-C61 CovalentContact SG-SG 2.03Å; C44-C61 PolarHBondContact SG-SG 3.24Å; Y48-C61 HydrophobicContact CD1-CB 4.07Å; Y48-C61 HydrophobicContact CG-CB 4.38Å; Q49-C61 CarbonylContact O-C 3.59Å; Q49-C61 WeakPolarHBondContact O-CA 3.45Å; S59-C61 PolarHBondContact O-N 2.93Å; S59-C61 PolarHBondContact O-SG 3.39Å |
| 62 | K | 95.3 | Very high | 88.4 | Confident | 89 Ų | 89 | 85.5 Ų | 85.5 | 39% | 0.387 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 133.7 | 178.1 | -176.9 | 170.3 | -176.3 | 172.6 | 0 | 110.5 | A38 Y48 Q49 I51 M64 | A38-K62 HydrophobicContact CB-CB 4Å; Y48-K62 CarbonylContact C-O 3.52Å; Y48-K62 VanDerWaalsContact CA-O 3.31Å; Y48-K62 WeakPolarHBondContact CA-O 3.39Å; Q49-K62 PolarHBondContact N-O 2.94Å; Q49-K62 PolarHBondContact O-N 2.77Å; I51-K62 HydrophobicContact CD1-CB 3.36Å; I51-K62 HydrophobicContact CD1-CD 3.8Å; I51-K62 HydrophobicContact CD1-CG 4.24Å; I51-K62 HydrophobicContact CG1-CB 4.28Å; K62-M64 PolarHBondContact O-N 3.32Å |
| 63 | N | 92.6 | Very high | 87.5 | Confident | 80 Ų | 80 | 90.6 Ų | 90.6 | 43% | 0.428 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 126.1 | 177.5 | -169.1 | -13.6 | 0 | 0 | 0 | 110.1 | G47 Y48 Q68 | G47-N63 PolarHBondContact O-OD1 3.43Å; Y48-N63 HydrophobicContact CD1-CB 4.19Å; Y48-N63 HydrophobicContact CE1-CB 3.88Å; N63-Q68 PolarHBondContact OD1-NE2 3.04Å |
| 64 | M | 91.4 | Very high | 86.4 | Confident | 46 Ų | 46 | 87.8 Ų | 87.8 | 23% | 0.227 | 44% | 0.436 | C | S | . | . | trans | -76.4 | 129.9 | 177.2 | -63.2 | -169.2 | -67.5 | 0 | 0 | 109.4 | G47 Q49 K62 Q68 P69 | G47-M64 VanDerWaalsContact CA-CE 3.48Å; G47-M64 VanDerWaalsContact O-CB 3.29Å; G47-M64 WeakPolarHBondContact O-CB 3.22Å; G47-M64 WeakPolarHBondContact O-CG 3.32Å; G47-M64 PolarHBondContact O-N 2.94Å; Q49-M64 HydrophobicContact CB-CG 3.8Å; Q49-M64 HydrophobicContact CB-SD 4.2Å; K62-M64 PolarHBondContact O-N 3.32Å; M64-Q68 HydrophobicContact CB-CG 4.35Å; M64-Q68 VanDerWaalsContact O-CG 3.29Å; M64-Q68 WeakPolarHBondContact O-CG 3.44Å; M64-Q68 PolarHBondContact O-NE2 3.43Å; M64-P69 HydrophobicContact CE-CG 4.46Å | ||
| 65 | T | 89.3 | Confident | 85.1 | Confident | 135 Ų | 135 | 92.2 Ų | 92.2 | 83% | 0.828 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -94.7 | -9.6 | 175.5 | 56.5 | 0 | 0 | 0 | 0 | 113 | ||
| 66 | R | 88.5 | Confident | 84.5 | Confident | 194 Ų | 194 | 94.2 Ų | 94.2 | 73% | 0.732 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -133.4 | 150.2 | 179.1 | -64 | -172.5 | -179.9 | -175.1 | -0 | 109.6 | Q68 | R66-Q68 VanDerWaalsContact C-N 3.26Å; R66-Q68 PolarHBondContact O-N 3.4Å |
| 67 | F | 87.8 | Confident | 84.1 | Confident | 198 Ų | 198 | 91.5 Ų | 91.5 | 87% | 0.868 | 46% | 0.458 | S | S | * | . | S | Bend | trans | 54.7 | 38.6 | 177.5 | -48.1 | -68.3 | 0 | 0 | 0 | 113.9 | ||
| 68 | Q | 87.8 | Confident | 82.6 | Confident | 87 Ų | 87 | 98.3 Ų | 98.3 | 41% | 0.407 | 49% | 0.487 | S | S | . | . | trans | -62.9 | 128.7 | 175 | -72.3 | -174.8 | -22.4 | 0 | 0 | 109.7 | N63 M64 R66 A72 | N63-Q68 PolarHBondContact OD1-NE2 3.04Å; M64-Q68 HydrophobicContact CB-CG 4.35Å; M64-Q68 VanDerWaalsContact O-CG 3.29Å; M64-Q68 WeakPolarHBondContact O-CG 3.44Å; M64-Q68 PolarHBondContact O-NE2 3.43Å; R66-Q68 VanDerWaalsContact C-N 3.26Å; R66-Q68 PolarHBondContact O-N 3.4Å; Q68-A72 HydrophobicContact CB-CB 4.27Å | ||
| 69 | P | 87.6 | Confident | 82.2 | Confident | 40 Ų | 40 | 101 Ų | 101 | 26% | 0.26 | 50% | 0.499 | S | S | . | . | trans | -66.4 | 150.2 | 174.8 | 30 | -35.1 | 0 | 0 | 0 | 109.5 | P46 M64 Q71 A72 | P46-P69 HydrophobicContact CB-CG 4.21Å; M64-P69 HydrophobicContact CE-CG 4.46Å; P69-Q71 PolarHBondContact O-N 2.94Å; P69-A72 HydrophobicContact CG-CB 4.19Å; P69-A72 WeakPolarHBondContact O-CB 3.39Å; P69-A72 PolarHBondContact O-N 3.3Å | ||
| 70 | P | 84.6 | Confident | 81.7 | Confident | 116 Ų | 116 | 105.7 Ų | 105.7 | 75% | 0.753 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -50.6 | -31.9 | 177.2 | -28.2 | 33.7 | 0 | 0 | 0 | 113.9 | A72 K73 | P70-A72 PolarHBondContact O-N 3.32Å; P70-K73 PolarHBondContact O-N 3.37Å |
| 71 | Q | 85.2 | Confident | 80.9 | Confident | 120 Ų | 120 | 111.3 Ų | 111.3 | 56% | 0.561 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -72 | -9.5 | 179.9 | -55.7 | 91 | -38.6 | 0 | 0 | 114.1 | P46 P69 K73 | P46-Q71 HydrophobicContact CB-CB 4Å; P46-Q71 HydrophobicContact CG-CB 4.32Å; P69-Q71 PolarHBondContact O-N 2.94Å; Q71-K73 PolarHBondContact O-N 2.91Å |
| 72 | A | 83.5 | Confident | 80.1 | Confident | 30 Ų | 30 | 117.9 Ų | 117.9 | 25% | 0.248 | 58% | 0.581 | C | S | . | * | G | 310 helix | trans | -72.6 | -19.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G47 Q68 P69 P70 | G47-A72 VanDerWaalsContact CA-CB 3.46Å; Q68-A72 HydrophobicContact CB-CB 4.27Å; P69-A72 HydrophobicContact CG-CB 4.19Å; P69-A72 WeakPolarHBondContact O-CB 3.39Å; P69-A72 PolarHBondContact O-N 3.3Å; P70-A72 PolarHBondContact O-N 3.32Å |
| 73 | K | 75.8 | Confident | 79.1 | Confident | 143 Ų | 143 | 119.7 Ų | 119.7 | 62% | 0.622 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -93.2 | 138 | 177.2 | -63.1 | -176.7 | 179.6 | -176.1 | 0 | 108.8 | P70 Q71 | P70-K73 PolarHBondContact O-N 3.37Å; Q71-K73 PolarHBondContact O-N 2.91Å |
| 74 | E | 70.1 | Confident | 78.3 | Confident | 83 Ų | 83 | 122.3 Ų | 122.3 | 39% | 0.388 | 60% | 0.604 | S | S | . | * | trans | -64.3 | 135 | 169.6 | -75.8 | -149.6 | -173 | 0 | 0 | 109.2 | F23 W76 S77 | F23-E74 WeakPolarHBondContact CB-OE1 3.25Å; F23-E74 HydrophobicContact CD1-CG 3.55Å; F23-E74 HydrophobicContact CE1-CG 3.94Å; F23-E74 HydrophobicContact CG-CG 4.27Å; E74-W76 PolarHBondContact O-N 3.44Å; E74-S77 PolarHBondContact O-N 2.94Å; E74-S77 PolarHBondContact O-OG 3.46Å; E74-S77 VanDerWaalsContact O-OG 3.14Å | ||
| 75 | P | 62.6 | Low | 77.3 | Confident | 98 Ų | 98 | 127.8 Ų | 127.8 | 64% | 0.636 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -21 | 178.5 | -22.4 | 32 | 0 | 0 | 0 | 113.4 | ||
| 76 | W | 65.1 | Low | 76.4 | Confident | 210 Ų | 210 | 127.2 Ų | 127.2 | 80% | 0.795 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 2.3 | -172.8 | -41.3 | 105.7 | 0 | 0 | 0 | 113.4 | E74 H78 | E74-W76 PolarHBondContact O-N 3.44Å; W76-H78 PolarHBondContact O-N 3.44Å |
| 77 | S | 63.2 | Low | 75.4 | Confident | 78 Ų | 78 | 121.7 Ų | 121.7 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | trans | -77.1 | 105.1 | 171 | 65.6 | 0 | 0 | 0 | 0 | 108.8 | E74 | E74-S77 PolarHBondContact O-N 2.94Å; E74-S77 PolarHBondContact O-OG 3.46Å; E74-S77 VanDerWaalsContact O-OG 3.14Å | ||
| 78 | H | 51.7 | Low | 74.3 | Confident | 257 Ų | 257 | 114.7 Ų | 114.7 | 100% | 1.19 | 58% | 0.582 | S | S | * | * | trans | -73.6 | 0 | 170.4 | -69.3 | -64.9 | 0 | 0 | 0 | 111.4 | W76 | W76-H78 PolarHBondContact O-N 3.44Š|
Retrieved 78 of 78 residues in 532 ms
(Link to these results)