| 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 | 38.7 | Very low | 62.4 | Low | 212 Ų | 212 | 147.3 Ų | 147.3 | 100% | 1.044 | 75% | 0.753 | S | S | * | * | 0 | 79 | 0 | -164.5 | 172.8 | -166.6 | 0 | 0 | 107.1 | I3 | M1-I3 HydrophobicContact CE-CG2 4.37Å; M1-I3 HydrophobicContact CG-CG1 4.32Å; M1-I3 HydrophobicContact CG-CG2 3.87Å; M1-I3 PolarHBondContact O-N 2.81Å; M1-I3 VanDerWaalsContact O-N 3.12Å | |||
| 2 | E | 56 | Low | 63.7 | Low | 194 Ų | 194 | 145.6 Ų | 145.6 | 91% | 0.907 | 75% | 0.746 | S | S | * | * | trans | -90.3 | 61.6 | -174.5 | -160.2 | 174.7 | -146.3 | 0 | 0 | 108.4 | W4 | E2-W4 VanDerWaalsContact C-N 3.26Å; E2-W4 PolarHBondContact O-N 3.46Å | ||
| 3 | I | 57 | Low | 65 | Low | 107 Ų | 107 | 149.2 Ų | 149.2 | 55% | 0.549 | 75% | 0.753 | S | S | . | * | trans | -71.1 | -16.8 | -165.9 | 35.5 | 164.6 | 0 | 0 | 0 | 113.6 | M1 | M1-I3 HydrophobicContact CE-CG2 4.37Å; M1-I3 HydrophobicContact CG-CG1 4.32Å; M1-I3 HydrophobicContact CG-CG2 3.87Å; M1-I3 PolarHBondContact O-N 2.81Å; M1-I3 VanDerWaalsContact O-N 3.12Å | ||
| 4 | W | 56.9 | Low | 65.8 | Low | 182 Ų | 182 | 142 Ų | 142 | 69% | 0.689 | 72% | 0.717 | S | S | * | * | trans | -150.8 | 91.2 | -174.7 | -55.3 | 101 | 0 | 0 | 0 | 113.1 | E2 H6 | E2-W4 VanDerWaalsContact C-N 3.26Å; E2-W4 PolarHBondContact O-N 3.46Å; W4-H6 VanDerWaalsContact C-N 3.26Å; W4-H6 PolarHBondContact O-N 3.46Å | ||
| 5 | G | 55.2 | Low | 66.7 | Low | 66 Ų | 66 | 141.7 Ų | 141.7 | 68% | 0.68 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -15.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 6 | H | 64.7 | Low | 67.3 | Low | 202 Ų | 202 | 134.3 Ų | 134.3 | 94% | 0.935 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.1 | 17.5 | -175.8 | -68.2 | -55.1 | 0 | 0 | 0 | 114.8 | W4 | W4-H6 VanDerWaalsContact C-N 3.26Å; W4-H6 PolarHBondContact O-N 3.46Å |
| 7 | G | 58.9 | Low | 68 | Low | 50 Ų | 50 | 136.5 Ų | 136.5 | 52% | 0.515 | 70% | 0.697 | S | S | . | * | trans | -133 | 140.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 8 | L | 73.8 | Confident | 68.8 | Low | 138 Ų | 138 | 131.2 Ų | 131.2 | 72% | 0.723 | 68% | 0.676 | S | S | * | * | trans | -108.6 | 137.9 | 172.3 | -179.9 | 65.4 | 0 | 0 | 0 | 109 | W10 | L8-W10 HydrophobicContact CD2-CZ2 4.12Š| ||
| 9 | V | 71.8 | Confident | 69.4 | Low | 108 Ų | 108 | 128.3 Ų | 128.3 | 66% | 0.655 | 67% | 0.674 | S | S | * | * | trans | -107.6 | 126.9 | 174.1 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | I11 | V9-I11 HydrophobicContact CG1-CG1 4.31Š| ||
| 10 | W | 74.4 | Confident | 70.1 | Confident | 202 Ų | 202 | 128.4 Ų | 128.4 | 77% | 0.765 | 68% | 0.68 | S | S | * | * | trans | -104.6 | 125.3 | 172.1 | -65.8 | 59.3 | 0 | 0 | 0 | 107.9 | L8 | L8-W10 HydrophobicContact CD2-CZ2 4.12Š| ||
| 11 | I | 78.9 | Confident | 70.7 | Confident | 159 Ų | 159 | 126 Ų | 126 | 82% | 0.815 | 67% | 0.667 | S | S | * | * | trans | -102.7 | 107.6 | 173.9 | -59.2 | 174.3 | 0 | 0 | 0 | 107.5 | V9 | V9-I11 HydrophobicContact CG1-CG1 4.31Š| ||
| 12 | N | 78.2 | Confident | 72.8 | Confident | 127 Ų | 127 | 120.9 Ų | 120.9 | 68% | 0.679 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 127.1 | 175.3 | -70.9 | -0.7 | 0 | 0 | 0 | 109.8 | I14 | N12-I14 PolarHBondContact O-N 3.13Š|
| 13 | K | 80.7 | Confident | 74.1 | Confident | 192 Ų | 192 | 113.8 Ų | 113.8 | 84% | 0.835 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -76 | 121.5 | 171.9 | -173.3 | -176.7 | 178.9 | -170.8 | 0 | 109.3 | ||
| 14 | I | 76.4 | Confident | 75.3 | Confident | 49 Ų | 49 | 118.2 Ų | 118.2 | 25% | 0.251 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -97.9 | 117.3 | 174.7 | -57.8 | 174.4 | 0 | 0 | 0 | 108.4 | N12 V16 R22 Y25 V26 | N12-I14 PolarHBondContact O-N 3.13Å; I14-V16 HydrophobicContact CG2-CB 4.45Å; I14-V16 HydrophobicContact CG2-CG2 3.57Å; I14-R22 PolarHBondContact O-NH1 3.3Å; I14-Y25 HydrophobicContact CD1-CD1 4.04Å; I14-Y25 HydrophobicContact CD1-CE1 4.28Å; I14-Y25 HydrophobicContact CG1-CD1 4.38Å; I14-Y25 HydrophobicContact CG1-CE1 4.23Å; I14-Y25 HydrophobicContact CG2-CD1 3.66Å; I14-Y25 HydrophobicContact CG2-CE1 3.87Å; I14-Y25 HydrophobicContact CG2-CG 4.05Å; I14-V26 HydrophobicContact CD1-CG2 3.74Å |
| 15 | D | 78.4 | Confident | 76.5 | Confident | 137 Ų | 137 | 114 Ų | 114 | 73% | 0.733 | 61% | 0.61 | S | S | * | * | trans | -102.4 | 99.7 | 174.3 | -159.8 | 13.1 | 0 | 0 | 0 | 109.7 | ||||
| 16 | V | 76.4 | Confident | 77.8 | Confident | 24 Ų | 24 | 114.1 Ų | 114.1 | 15% | 0.145 | 60% | 0.597 | C | S | . | * | trans | -134.1 | 131.3 | 179 | 175.9 | 0 | 0 | 0 | 0 | 107.1 | I14 A18 N21 R22 Y25 | I14-V16 HydrophobicContact CG2-CB 4.45Å; I14-V16 HydrophobicContact CG2-CG2 3.57Å; V16-A18 PolarHBondContact O-N 3.47Å; V16-N21 HydrophobicContact CG1-CB 3.47Å; V16-N21 VanDerWaalsContact CG1-CB 3.47Å; V16-R22 HydrophobicContact CB-CG 4.49Å; V16-Y25 HydrophobicContact CG2-CD2 3.63Å; V16-Y25 HydrophobicContact CG2-CE2 4.25Å; V16-Y25 HydrophobicContact CG2-CG 3.93Å | ||
| 17 | D | 79.7 | Confident | 78.5 | Confident | 172 Ų | 172 | 108.2 Ų | 108.2 | 92% | 0.92 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -52.7 | -31.9 | -167 | -56.5 | -28.8 | 0 | 0 | 0 | 114.9 | ||
| 18 | A | 82.4 | Confident | 79.5 | Confident | 40 Ų | 40 | 112.4 Ų | 112.4 | 33% | 0.331 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -128.1 | 139.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V16 V20 N21 | V16-A18 PolarHBondContact O-N 3.47Å; A18-V20 PolarHBondContact O-N 3.29Å; A18-N21 PolarHBondContact O-N 3.31Å |
| 19 | A | 80 | Confident | 79.6 | Confident | 77 Ų | 77 | 110.2 Ų | 110.2 | 64% | 0.636 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -56.8 | -35.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | N21 R22 | A19-N21 PolarHBondContact O-N 3.04Å; A19-R22 WeakPolarHBondContact O-CB 3.45Å; A19-R22 PolarHBondContact O-N 3Å |
| 20 | V | 83 | Confident | 79.7 | Confident | 130 Ų | 130 | 111.2 Ų | 111.2 | 79% | 0.788 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.7 | -31.2 | 178 | -177.3 | 0 | 0 | 0 | 0 | 112 | A18 R22 | A18-V20 PolarHBondContact O-N 3.29Å; V20-R22 VanDerWaalsContact C-N 3.34Å; V20-R22 PolarHBondContact O-N 3.41Å |
| 21 | N | 82.9 | Confident | 79.4 | Confident | 77 Ų | 77 | 106.4 Ų | 106.4 | 41% | 0.412 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -81.6 | -13.1 | -177.8 | -69.4 | -18.4 | 0 | 0 | 0 | 113.2 | V16 A18 A19 G23 R24 Y25 | V16-N21 HydrophobicContact CG1-CB 3.47Å; V16-N21 VanDerWaalsContact CG1-CB 3.47Å; A18-N21 PolarHBondContact O-N 3.31Å; A19-N21 PolarHBondContact O-N 3.04Å; N21-G23 PolarHBondContact O-N 3.24Å; N21-R24 PolarHBondContact O-N 3.36Å; N21-Y25 PolarHBondContact O-N 3.23Å |
| 22 | R | 82.8 | Confident | 78.8 | Confident | 106 Ų | 106 | 104.9 Ų | 104.9 | 40% | 0.4 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | -178.7 | -64 | 177.5 | -176.7 | -83.3 | -8 | 111.8 | I14 V16 A19 V20 R24 Y25 V26 | I14-R22 PolarHBondContact O-NH1 3.3Å; V16-R22 HydrophobicContact CB-CG 4.49Å; A19-R22 WeakPolarHBondContact O-CB 3.45Å; A19-R22 PolarHBondContact O-N 3Å; V20-R22 VanDerWaalsContact C-N 3.34Å; V20-R22 PolarHBondContact O-N 3.41Å; R22-R24 PolarHBondContact O-N 2.99Å; R22-Y25 WeakPolarHBondContact O-CB 3.5Å; R22-Y25 PolarHBondContact O-N 3.21Å; R22-V26 WeakPolarHBondContact O-CG2 3.22Å; R22-V26 PolarHBondContact O-N 3.5Å |
| 23 | G | 83.1 | Confident | 78 | Confident | 45 Ų | 45 | 103.1 Ų | 103.1 | 46% | 0.464 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60 | -46.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N21 Y25 V26 S27 | N21-G23 PolarHBondContact O-N 3.24Å; G23-Y25 VanDerWaalsContact C-N 3.33Å; G23-Y25 PolarHBondContact O-N 3.01Å; G23-V26 PolarHBondContact O-N 3.33Å; G23-S27 PolarHBondContact O-N 3.49Å; G23-S27 PolarHBondContact O-OG 3.23Å |
| 24 | R | 82.7 | Confident | 77.1 | Confident | 200 Ų | 200 | 97 Ų | 97 | 76% | 0.755 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.5 | -39.5 | 176 | -172 | -179.6 | -179.4 | -152.4 | 1.6 | 112.4 | N21 R22 K28 | N21-R24 PolarHBondContact O-N 3.36Å; R22-R24 PolarHBondContact O-N 2.99Å; R24-K28 VanDerWaalsContact O-CB 3.28Å; R24-K28 WeakPolarHBondContact O-CB 3.28Å; R24-K28 PolarHBondContact O-N 3.48Å |
| 25 | Y | 82.2 | Confident | 76.2 | Confident | 94 Ų | 94 | 100.6 Ų | 100.6 | 37% | 0.369 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.7 | -50.1 | 174.7 | -174.9 | -81.1 | 0 | 0 | 0 | 110.8 | I14 V16 N21 R22 G23 K28 Y29 | I14-Y25 HydrophobicContact CD1-CD1 4.04Å; I14-Y25 HydrophobicContact CD1-CE1 4.28Å; I14-Y25 HydrophobicContact CG1-CD1 4.38Å; I14-Y25 HydrophobicContact CG1-CE1 4.23Å; I14-Y25 HydrophobicContact CG2-CD1 3.66Å; I14-Y25 HydrophobicContact CG2-CE1 3.87Å; I14-Y25 HydrophobicContact CG2-CG 4.05Å; V16-Y25 HydrophobicContact CG2-CD2 3.63Å; V16-Y25 HydrophobicContact CG2-CE2 4.25Å; V16-Y25 HydrophobicContact CG2-CG 3.93Å; N21-Y25 PolarHBondContact O-N 3.23Å; R22-Y25 WeakPolarHBondContact O-CB 3.5Å; R22-Y25 PolarHBondContact O-N 3.21Å; G23-Y25 VanDerWaalsContact C-N 3.33Å; G23-Y25 PolarHBondContact O-N 3.01Å; Y25-K28 PolarHBondContact O-N 3.03Å; Y25-Y29 AromaticContact CD1-CD2 3.76Å; Y25-Y29 HydrophobicContact CD1-CD2 3.76Å; Y25-Y29 HydrophobicContact CD1-CE2 4.29Å; Y25-Y29 AromaticContact CD2-CD2 3.84Å; Y25-Y29 HydrophobicContact CD2-CD2 3.84Å; Y25-Y29 AromaticContact CD2-CE2 3.5Å; Y25-Y29 HydrophobicContact CD2-CE2 3.5Å; Y25-Y29 VanDerWaalsContact CD2-CE2 3.5Å; Y25-Y29 AromaticContact CE1-CD2 3.59Å; Y25-Y29 HydrophobicContact CE1-CD2 3.59Å; Y25-Y29 HydrophobicContact CE1-CE2 4.08Å; Y25-Y29 HydrophobicContact CE1-CG 4.44Å; Y25-Y29 AromaticContact CE2-CD2 3.68Å; Y25-Y29 HydrophobicContact CE2-CD2 3.68Å; Y25-Y29 AromaticContact CE2-CE2 3.25Å; Y25-Y29 HydrophobicContact CE2-CE2 3.25Å; Y25-Y29 AromaticContact CG-CD2 3.87Å; Y25-Y29 HydrophobicContact CG-CD2 3.87Å; Y25-Y29 HydrophobicContact CG-CE2 4.01Å; Y25-Y29 AromaticContact CZ-CD2 3.53Å; Y25-Y29 AromaticContact CZ-CE2 3.55Å; Y25-Y29 VanDerWaalsContact O-CD2 3.22Å; Y25-Y29 WeakPolarHBondContact O-CD2 3.44Å; Y25-Y29 PolarHBondContact O-N 2.75Å; Y25-Y29 VanDerWaalsContact O-N 3.13Å |
| 26 | V | 81.7 | Confident | 75.3 | Confident | 67 Ų | 67 | 100 Ų | 100 | 41% | 0.406 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.6 | -52.2 | 179.2 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | I14 R22 G23 K28 Y29 F30 | I14-V26 HydrophobicContact CD1-CG2 3.74Å; R22-V26 WeakPolarHBondContact O-CG2 3.22Å; R22-V26 PolarHBondContact O-N 3.5Å; G23-V26 PolarHBondContact O-N 3.33Å; V26-K28 VanDerWaalsContact C-N 3.31Å; V26-K28 PolarHBondContact O-N 3.32Å; V26-Y29 PolarHBondContact O-N 3.38Å; V26-F30 HydrophobicContact CG1-CB 4.38Å; V26-F30 WeakPolarHBondContact O-CA 3.45Å; V26-F30 WeakPolarHBondContact O-CB 3.43Å; V26-F30 PolarHBondContact O-N 2.86Å |
| 27 | S | 81.2 | Confident | 74.4 | Confident | 78 Ų | 78 | 106.6 Ų | 106.6 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.4 | -40 | 179.3 | -58.7 | 0 | 0 | 0 | 0 | 113 | G23 Y29 | G23-S27 PolarHBondContact O-N 3.49Å; G23-S27 PolarHBondContact O-OG 3.23Å; S27-Y29 PolarHBondContact O-N 2.64Å |
| 28 | K | 78.4 | Confident | 73.2 | Confident | 138 Ų | 138 | 102.9 Ų | 102.9 | 60% | 0.6 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.2 | -38.1 | -179.2 | -177.7 | 176.3 | 177.7 | -177.2 | 0 | 113.2 | R24 Y25 V26 K32 | R24-K28 VanDerWaalsContact O-CB 3.28Å; R24-K28 WeakPolarHBondContact O-CB 3.28Å; R24-K28 PolarHBondContact O-N 3.48Å; Y25-K28 PolarHBondContact O-N 3.03Å; V26-K28 VanDerWaalsContact C-N 3.31Å; V26-K28 PolarHBondContact O-N 3.32Å; K28-K32 WeakPolarHBondContact O-CB 3.4Å |
| 29 | Y | 77.4 | Confident | 71.9 | Confident | 92 Ų | 92 | 108.2 Ų | 108.2 | 36% | 0.361 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -99.2 | -24.6 | -175.6 | -66 | -71.5 | 0 | 0 | 0 | 113.7 | Y25 V26 S27 D33 | Y25-Y29 AromaticContact CD1-CD2 3.76Å; Y25-Y29 HydrophobicContact CD1-CD2 3.76Å; Y25-Y29 HydrophobicContact CD1-CE2 4.29Å; Y25-Y29 AromaticContact CD2-CD2 3.84Å; Y25-Y29 HydrophobicContact CD2-CD2 3.84Å; Y25-Y29 AromaticContact CD2-CE2 3.5Å; Y25-Y29 HydrophobicContact CD2-CE2 3.5Å; Y25-Y29 VanDerWaalsContact CD2-CE2 3.5Å; Y25-Y29 AromaticContact CE1-CD2 3.59Å; Y25-Y29 HydrophobicContact CE1-CD2 3.59Å; Y25-Y29 HydrophobicContact CE1-CE2 4.08Å; Y25-Y29 HydrophobicContact CE1-CG 4.44Å; Y25-Y29 AromaticContact CE2-CD2 3.68Å; Y25-Y29 HydrophobicContact CE2-CD2 3.68Å; Y25-Y29 AromaticContact CE2-CE2 3.25Å; Y25-Y29 HydrophobicContact CE2-CE2 3.25Å; Y25-Y29 AromaticContact CG-CD2 3.87Å; Y25-Y29 HydrophobicContact CG-CD2 3.87Å; Y25-Y29 HydrophobicContact CG-CE2 4.01Å; Y25-Y29 AromaticContact CZ-CD2 3.53Å; Y25-Y29 AromaticContact CZ-CE2 3.55Å; Y25-Y29 VanDerWaalsContact O-CD2 3.22Å; Y25-Y29 WeakPolarHBondContact O-CD2 3.44Å; Y25-Y29 PolarHBondContact O-N 2.75Å; Y25-Y29 VanDerWaalsContact O-N 3.13Å; V26-Y29 PolarHBondContact O-N 3.38Å; S27-Y29 PolarHBondContact O-N 2.64Å; Y29-D33 PolarHBondContact O-N 3.15Å; Y29-D33 VanDerWaalsContact O-N 3.14Å |
| 30 | F | 73 | Confident | 70.9 | Confident | 129 Ų | 129 | 113.6 Ų | 113.6 | 57% | 0.566 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65 | -50.4 | 177.2 | -173.8 | -102.3 | 0 | 0 | 0 | 111.6 | V26 K32 L34 | V26-F30 HydrophobicContact CG1-CB 4.38Å; V26-F30 WeakPolarHBondContact O-CA 3.45Å; V26-F30 WeakPolarHBondContact O-CB 3.43Å; V26-F30 PolarHBondContact O-N 2.86Å; F30-K32 VanDerWaalsContact C-N 3.33Å; F30-K32 PolarHBondContact O-N 3.45Å; F30-L34 HydrophobicContact CD1-CD1 3.63Å; F30-L34 HydrophobicContact CE1-CD1 3.41Å; F30-L34 VanDerWaalsContact CE1-CD1 3.41Å; F30-L34 HydrophobicContact CG-CD1 4.37Å; F30-L34 HydrophobicContact CZ-CD1 3.98Å; F30-L34 WeakPolarHBondContact O-CD1 2.95Å; F30-L34 WeakPolarHBondContact O-CG 3.02Å; F30-L34 PolarHBondContact O-N 2.88Å; F30-L34 VanDerWaalsContact O-N 3.17Å |
| 31 | D | 67.7 | Low | 69.7 | Low | 102 Ų | 102 | 115.3 Ų | 115.3 | 55% | 0.545 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.7 | -36 | 177.2 | -76.6 | -6.7 | 0 | 0 | 0 | 111.9 | D33 L34 D35 | D31-D33 PolarHBondContact O-N 3.41Å; D31-L34 WeakPolarHBondContact O-CB 3.44Å; D31-L34 PolarHBondContact O-N 3.14Å; D31-D35 PolarHBondContact O-N 3.15Å |
| 32 | K | 67 | Low | 68.6 | Low | 126 Ų | 126 | 120.2 Ų | 120.2 | 55% | 0.548 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.3 | -39.8 | -177.5 | -161.7 | -174.2 | -177.9 | -157.6 | 0 | 112.4 | K28 F30 I36 | K28-K32 WeakPolarHBondContact O-CB 3.4Å; F30-K32 VanDerWaalsContact C-N 3.33Å; F30-K32 PolarHBondContact O-N 3.45Å; K32-I36 WeakPolarHBondContact O-CG1 3.4Å; K32-I36 PolarHBondContact O-N 3.24Å |
| 33 | D | 61 | Low | 67.4 | Low | 90 Ų | 90 | 118.2 Ų | 118.2 | 48% | 0.481 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -75.2 | -29.5 | 176.2 | -79.5 | -9.5 | 0 | 0 | 0 | 112.1 | Y29 D31 K37 | Y29-D33 PolarHBondContact O-N 3.15Å; Y29-D33 VanDerWaalsContact O-N 3.14Å; D31-D33 PolarHBondContact O-N 3.41Å; D33-K37 WeakPolarHBondContact O-CB 3.5Å; D33-K37 WeakPolarHBondContact O-CG 3.45Å; D33-K37 PolarHBondContact O-N 3.2Å; D33-K37 VanDerWaalsContact O-N 3.15Å |
| 34 | L | 61.3 | Low | 66.3 | Low | 63 Ų | 63 | 121.9 Ų | 121.9 | 33% | 0.33 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.8 | -52.5 | 169.7 | -80.7 | 160.2 | 0 | 0 | 0 | 110.2 | F30 D31 I36 K37 E38 | F30-L34 HydrophobicContact CD1-CD1 3.63Å; F30-L34 HydrophobicContact CE1-CD1 3.41Å; F30-L34 VanDerWaalsContact CE1-CD1 3.41Å; F30-L34 HydrophobicContact CG-CD1 4.37Å; F30-L34 HydrophobicContact CZ-CD1 3.98Å; F30-L34 WeakPolarHBondContact O-CD1 2.95Å; F30-L34 WeakPolarHBondContact O-CG 3.02Å; F30-L34 PolarHBondContact O-N 2.88Å; F30-L34 VanDerWaalsContact O-N 3.17Å; D31-L34 WeakPolarHBondContact O-CB 3.44Å; D31-L34 PolarHBondContact O-N 3.14Å; L34-I36 VanDerWaalsContact C-N 3.27Å; L34-I36 PolarHBondContact O-N 2.91Å; L34-I36 VanDerWaalsContact O-N 3.15Å; L34-K37 PolarHBondContact O-N 2.78Å; L34-K37 VanDerWaalsContact O-N 3.14Å; L34-E38 WeakPolarHBondContact CD2-OE2 3.41Å; L34-E38 WeakPolarHBondContact O-CA 3.4Å; L34-E38 WeakPolarHBondContact O-CB 3.5Å; L34-E38 PolarHBondContact O-N 3.02Å |
| 35 | D | 59 | Low | 65.5 | Low | 126 Ų | 126 | 122.9 Ų | 122.9 | 67% | 0.674 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -55.3 | -39.4 | -178.3 | -98 | -16 | 0 | 0 | 0 | 113.2 | D31 H39 | D31-D35 PolarHBondContact O-N 3.15Å; D35-H39 WeakPolarHBondContact O-CB 3.5Å; D35-H39 PolarHBondContact O-N 3.15Å |
| 36 | I | 59.6 | Low | 64.6 | Low | 125 Ų | 125 | 126.4 Ų | 126.4 | 64% | 0.641 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -77.1 | -37.4 | -178.6 | -60.9 | 163.8 | 0 | 0 | 0 | 111.8 | K32 L34 | K32-I36 WeakPolarHBondContact O-CG1 3.4Å; K32-I36 PolarHBondContact O-N 3.24Å; L34-I36 VanDerWaalsContact C-N 3.27Å; L34-I36 PolarHBondContact O-N 2.91Å; L34-I36 VanDerWaalsContact O-N 3.15Å |
| 37 | K | 57.2 | Low | 64 | Low | 161 Ų | 161 | 126.8 Ų | 126.8 | 70% | 0.7 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -84.6 | -25 | -179.6 | -72.8 | 179.6 | 179.4 | 171.9 | 0 | 113.4 | D33 L34 | D33-K37 WeakPolarHBondContact O-CB 3.5Å; D33-K37 WeakPolarHBondContact O-CG 3.45Å; D33-K37 PolarHBondContact O-N 3.2Å; D33-K37 VanDerWaalsContact O-N 3.15Å; L34-K37 PolarHBondContact O-N 2.78Å; L34-K37 VanDerWaalsContact O-N 3.14Å |
| 38 | E | 54.3 | Low | 63.2 | Low | 94 Ų | 94 | 128 Ų | 128 | 44% | 0.439 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -99.4 | -15.4 | -169 | -161.3 | 152 | -148.4 | 0 | 0 | 113.3 | L34 K40 K41 | L34-E38 WeakPolarHBondContact CD2-OE2 3.41Å; L34-E38 WeakPolarHBondContact O-CA 3.4Å; L34-E38 WeakPolarHBondContact O-CB 3.5Å; L34-E38 PolarHBondContact O-N 3.02Å; E38-K40 PolarHBondContact O-N 3.26Å; E38-K41 PolarHBondContact O-N 3.14Å; E38-K41 VanDerWaalsContact O-N 3.15Å |
| 39 | H | 54.9 | Low | 63 | Low | 152 Ų | 152 | 129.2 Ų | 129.2 | 70% | 0.704 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 74.6 | 166.9 | -167.8 | 79.2 | 0 | 0 | 0 | 110.6 | D35 | D35-H39 WeakPolarHBondContact O-CB 3.5Å; D35-H39 PolarHBondContact O-N 3.15Å |
| 40 | K | 58.5 | Low | 62.8 | Low | 191 Ų | 191 | 130.9 Ų | 130.9 | 83% | 0.83 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 139.6 | -6.1 | 168.5 | -77.4 | 163.5 | -171.2 | -173.7 | 0 | 114.8 | E38 | E38-K40 PolarHBondContact O-N 3.26Š|
| 41 | K | 57 | Low | 63.2 | Low | 165 Ų | 165 | 134.7 Ų | 134.7 | 72% | 0.717 | 65% | 0.648 | S | S | * | * | trans | -100 | 98.9 | 174.1 | -71.1 | -168 | 180 | -177.5 | 0 | 109.9 | E38 A43 | E38-K41 PolarHBondContact O-N 3.14Å; E38-K41 VanDerWaalsContact O-N 3.15Å; K41-A43 PolarHBondContact O-N 3.17Å; K41-A43 VanDerWaalsContact O-N 3.11Å | ||
| 42 | K | 60.6 | Low | 64 | Low | 180 Ų | 180 | 137.6 Ų | 137.6 | 78% | 0.783 | 66% | 0.663 | S | S | * | * | trans | -57.4 | 115.7 | 173.7 | -67.4 | -175.2 | 176.8 | -177.5 | 0 | 109.4 | F44 | K42-F44 PolarHBondContact O-N 3.47Å; K42-F44 VanDerWaalsContact O-N 3.13Å | ||
| 43 | A | 58.2 | Low | 64.9 | Low | 65 Ų | 65 | 136.1 Ų | 136.1 | 54% | 0.537 | 67% | 0.667 | S | S | . | * | trans | -55.3 | 116.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | K41 F45 | K41-A43 PolarHBondContact O-N 3.17Å; K41-A43 VanDerWaalsContact O-N 3.11Å; A43-F45 PolarHBondContact O-N 2.79Å; A43-F45 VanDerWaalsContact O-N 3.13Å | ||
| 44 | F | 60.1 | Low | 66.3 | Low | 122 Ų | 122 | 143.1 Ų | 143.1 | 54% | 0.535 | 69% | 0.686 | S | S | . | * | trans | -76.5 | 106 | -174.2 | -59.4 | -71.1 | 0 | 0 | 0 | 109.7 | K42 K46 Q48 | K42-F44 PolarHBondContact O-N 3.47Å; K42-F44 VanDerWaalsContact O-N 3.13Å; F44-K46 VanDerWaalsContact CB-O 3.3Å; F44-K46 WeakPolarHBondContact CB-O 3.32Å; F44-K46 PolarHBondContact O-N 2.8Å; F44-Q48 HydrophobicContact CB-CG 3.94Å; F44-Q48 VanDerWaalsContact CD1-CD 3.45Å; F44-Q48 HydrophobicContact CD1-CG 3.79Å; F44-Q48 VanDerWaalsContact CD2-CD 3.41Å; F44-Q48 HydrophobicContact CD2-CG 3.77Å; F44-Q48 VanDerWaalsContact CE1-CD 3.42Å; F44-Q48 HydrophobicContact CE1-CG 4.27Å; F44-Q48 HydrophobicContact CE2-CG 4.22Å; F44-Q48 VanDerWaalsContact CG-CD 3.47Å; F44-Q48 HydrophobicContact CG-CG 3.53Å; F44-Q48 HydrophobicContact CZ-CG 4.45Å | ||
| 45 | F | 65.2 | Low | 67.8 | Low | 220 Ų | 220 | 147.1 Ų | 147.1 | 97% | 0.965 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -62.6 | -3.7 | 171.8 | -68.5 | -77.5 | 0 | 0 | 0 | 114.2 | A43 | A43-F45 PolarHBondContact O-N 2.79Å; A43-F45 VanDerWaalsContact O-N 3.13Å |
| 46 | K | 62.9 | Low | 69.5 | Low | 168 Ų | 168 | 145.8 Ų | 145.8 | 73% | 0.73 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -131.2 | 142.6 | 173.1 | 62.3 | -175.9 | -177.9 | -179.1 | 0 | 108.1 | F44 Q48 | F44-K46 VanDerWaalsContact CB-O 3.3Å; F44-K46 WeakPolarHBondContact CB-O 3.32Å; F44-K46 PolarHBondContact O-N 2.8Å; K46-Q48 PolarHBondContact O-N 2.97Å |
| 47 | S | 69.6 | Low | 71.1 | Confident | 76 Ų | 76 | 148.8 Ų | 148.8 | 53% | 0.531 | 71% | 0.708 | S | S | . | * | trans | -53.8 | 117.8 | 170.3 | 47 | 0 | 0 | 0 | 0 | 109.5 | L50 | S47-L50 WeakPolarHBondContact OG-CD1 3.4Š| ||
| 48 | Q | 65.1 | Low | 72.8 | Confident | 104 Ų | 104 | 151.7 Ų | 151.7 | 49% | 0.486 | 72% | 0.715 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.4 | 136.4 | 166.3 | -62.6 | -160.6 | -45.3 | 0 | 0 | 107.9 | F44 K46 L50 | F44-Q48 HydrophobicContact CB-CG 3.94Å; F44-Q48 VanDerWaalsContact CD1-CD 3.45Å; F44-Q48 HydrophobicContact CD1-CG 3.79Å; F44-Q48 VanDerWaalsContact CD2-CD 3.41Å; F44-Q48 HydrophobicContact CD2-CG 3.77Å; F44-Q48 VanDerWaalsContact CE1-CD 3.42Å; F44-Q48 HydrophobicContact CE1-CG 4.27Å; F44-Q48 HydrophobicContact CE2-CG 4.22Å; F44-Q48 VanDerWaalsContact CG-CD 3.47Å; F44-Q48 HydrophobicContact CG-CG 3.53Å; F44-Q48 HydrophobicContact CZ-CG 4.45Å; K46-Q48 PolarHBondContact O-N 2.97Å; Q48-L50 PolarHBondContact O-N 3.11Å |
| 49 | N | 72.4 | Confident | 74.6 | Confident | 163 Ų | 163 | 155.8 Ų | 155.8 | 87% | 0.872 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.5 | 8.4 | 172.8 | -45.2 | -40 | 0 | 0 | 0 | 117.6 | ||
| 50 | L | 74.8 | Confident | 76.3 | Confident | 126 Ų | 126 | 152.8 Ų | 152.8 | 66% | 0.66 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 136.8 | 165.6 | -67.4 | -173.2 | 0 | 0 | 0 | 110.9 | S47 Q48 L52 | S47-L50 WeakPolarHBondContact OG-CD1 3.4Å; Q48-L50 PolarHBondContact O-N 3.11Å; L50-L52 PolarHBondContact O-N 2.9Å |
| 51 | K | 80.1 | Confident | 77.9 | Confident | 209 Ų | 209 | 153.4 Ų | 153.4 | 91% | 0.909 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 118.6 | 173 | -68 | -179.7 | -179.8 | 176.6 | 0 | 109 | ||
| 52 | L | 84 | Confident | 79.4 | Confident | 163 Ų | 163 | 153.9 Ų | 153.9 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -62 | 145.1 | 173.4 | -74.6 | 158.7 | 0 | 0 | 0 | 110.5 | L50 | L50-L52 PolarHBondContact O-N 2.9Š|
| 53 | P | 86.4 | Confident | 80.6 | Confident | 96 Ų | 96 | 155.2 Ų | 155.2 | 62% | 0.623 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 147.6 | 174.5 | 28.6 | -34.1 | 0 | 0 | 0 | 110.8 | E55 | P53-E55 PolarHBondContact O-N 2.83Š|
| 54 | R | 90.9 | Very high | 81.9 | Confident | 236 Ų | 236 | 158.2 Ų | 158.2 | 89% | 0.891 | 75% | 0.751 | S | S | * | * | trans | -82.1 | 114.4 | 174.1 | -173.9 | 179.3 | 73 | -177.7 | 3.8 | 109.4 | ||||
| 55 | E | 93.1 | Very high | 83 | Confident | 148 Ų | 148 | 156.3 Ų | 156.3 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | trans | -103.4 | 139.3 | 176.3 | -64.2 | -177.4 | -173 | 0 | 0 | 111 | P53 | P53-E55 PolarHBondContact O-N 2.83Š| ||
| 56 | T | 93.3 | Very high | 83.9 | Confident | 97 Ų | 97 | 149.4 Ų | 149.4 | 60% | 0.595 | 72% | 0.716 | S | S | * | * | trans | -138.1 | 128.2 | 174.4 | -57.4 | 0 | 0 | 0 | 0 | 109 | R58 | T56-R58 HydrophobicContact CG2-CG 4.31Š| ||
| 57 | K | 94.2 | Very high | 84.9 | Confident | 188 Ų | 188 | 149.2 Ų | 149.2 | 82% | 0.817 | 72% | 0.717 | S | S | * | * | trans | -111.6 | 132.8 | 179 | -60 | 178.5 | -175.8 | 176.5 | 0 | 108.4 | ||||
| 58 | R | 92 | Very high | 85.6 | Confident | 222 Ų | 222 | 152.4 Ų | 152.4 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | trans | -135.1 | 138.8 | 178.8 | -66.5 | -175.7 | 178.2 | -178.1 | -1.6 | 109.4 | T56 | T56-R58 HydrophobicContact CG2-CG 4.31Š| ||
| 59 | L | 93 | Very high | 86.7 | Confident | 180 Ų | 180 | 152.3 Ų | 152.3 | 94% | 0.942 | 73% | 0.726 | S | S | * | * | trans | -96.9 | 124.1 | 169.7 | -176.4 | 65 | 0 | 0 | 0 | 107.9 | ||||
| 60 | T | 91.3 | Very high | 87.6 | Confident | 89 Ų | 89 | 148.2 Ų | 148.2 | 55% | 0.546 | 71% | 0.705 | S | S | . | * | trans | -143 | 136.8 | -176.9 | -47.5 | 0 | 0 | 0 | 0 | 108.9 | K62 | T60-K62 HydrophobicContact CG2-CB 4.21Å; T60-K62 WeakPolarHBondContact CG2-O 3.39Å | ||
| 61 | E | 91 | Very high | 88.4 | Confident | 205 Ų | 205 | 144.9 Ų | 144.9 | 96% | 0.958 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -74.7 | -35.4 | 174.1 | -62.7 | 174.7 | 179.9 | 0 | 0 | 112 | ||
| 62 | K | 89.2 | Confident | 89 | Confident | 175 Ų | 175 | 139.4 Ų | 139.4 | 76% | 0.761 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -79.8 | 141.8 | 178 | -61.5 | -175 | -178.5 | -178.3 | 0 | 111.3 | T60 | T60-K62 HydrophobicContact CG2-CB 4.21Å; T60-K62 WeakPolarHBondContact CG2-O 3.39Å |
| 63 | K | 85.8 | Confident | 89.5 | Confident | 207 Ų | 207 | 137 Ų | 137 | 90% | 0.9 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 138.2 | 169.8 | -68.5 | 179.6 | -178.2 | 173.1 | 0 | 109.6 | N65 | K63-N65 PolarHBondContact O-N 3.47Š|
| 64 | I | 84.8 | Confident | 89.9 | Confident | 129 Ų | 129 | 135.2 Ų | 135.2 | 66% | 0.662 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 122.5 | 175.1 | -60.5 | 173 | 0 | 0 | 0 | 108 | K66 | I64-K66 PolarHBondContact O-N 3.13Š|
| 65 | N | 84.1 | Confident | 90.1 | Very high | 82 Ų | 82 | 126 Ų | 126 | 44% | 0.439 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -67 | 127.4 | 170.5 | -167.6 | 0.3 | 0 | 0 | 0 | 109 | K63 E67 | K63-N65 PolarHBondContact O-N 3.47Å; N65-E67 PolarHBondContact ND2-OE2 3.13Å; N65-E67 WeakPolarHBondContact OD1-CB 3.2Å; N65-E67 VanDerWaalsContact OD1-CD 3.28Å; N65-E67 WeakPolarHBondContact OD1-CG 3.4Å; N65-E67 PolarHBondContact OD1-N 3Å; N65-E67 PolarHBondContact OD1-OE2 2.87Å |
| 66 | K | 83.4 | Confident | 90.3 | Very high | 75 Ų | 75 | 122.9 Ų | 122.9 | 33% | 0.326 | 60% | 0.6 | S | S | . | * | trans | -107.4 | -1.5 | -179.6 | -64.7 | 177.4 | -175 | 176.8 | 0 | 113 | I64 D68 F69 T108 | I64-K66 PolarHBondContact O-N 3.13Å; K66-D68 VanDerWaalsContact C-N 3.27Å; K66-D68 PolarHBondContact O-N 2.88Å; K66-F69 PolarHBondContact O-N 2.85Å; K66-F69 VanDerWaalsContact O-N 3.17Å; K66-T108 HydrophobicContact CD-CG2 4.28Å; K66-T108 PolarHBondContact NZ-OG1 3.34Å | ||
| 67 | E | 83.7 | Confident | 90.5 | Very high | 164 Ų | 164 | 123.9 Ų | 123.9 | 77% | 0.766 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -35.4 | -175.9 | -70.5 | 163.4 | 179.5 | 0 | 0 | 112.6 | N65 F69 | N65-E67 PolarHBondContact ND2-OE2 3.13Å; N65-E67 WeakPolarHBondContact OD1-CB 3.2Å; N65-E67 VanDerWaalsContact OD1-CD 3.28Å; N65-E67 WeakPolarHBondContact OD1-CG 3.4Å; N65-E67 PolarHBondContact OD1-N 3Å; N65-E67 PolarHBondContact OD1-OE2 2.87Å; E67-F69 VanDerWaalsContact C-N 3.26Å; E67-F69 PolarHBondContact O-N 3.45Å |
| 68 | D | 84.9 | Confident | 90.6 | Very high | 142 Ų | 142 | 120.7 Ų | 120.7 | 76% | 0.759 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -4.3 | -179.7 | -59.4 | -36.7 | 0 | 0 | 0 | 114 | K66 | K66-D68 VanDerWaalsContact C-N 3.27Å; K66-D68 PolarHBondContact O-N 2.88Å |
| 69 | F | 88.3 | Confident | 90.8 | Very high | 102 Ų | 102 | 116.5 Ų | 116.5 | 45% | 0.447 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -109.5 | 138.3 | -173.6 | -65.3 | -78.9 | 0 | 0 | 0 | 112.2 | K66 E67 V71 I110 | K66-F69 PolarHBondContact O-N 2.85Å; K66-F69 VanDerWaalsContact O-N 3.17Å; E67-F69 VanDerWaalsContact C-N 3.26Å; E67-F69 PolarHBondContact O-N 3.45Å; F69-V71 HydrophobicContact CB-CG2 4.49Å; F69-V71 PolarHBondContact O-N 2.76Å; F69-I110 HydrophobicContact CB-CD1 4.03Å; F69-I110 HydrophobicContact CB-CG1 4.23Å; F69-I110 HydrophobicContact CB-CG2 3.88Å; F69-I110 HydrophobicContact CD1-CD1 4.06Å; F69-I110 HydrophobicContact CD1-CG2 3.94Å; F69-I110 HydrophobicContact CD2-CD1 4.45Å; F69-I110 HydrophobicContact CG-CD1 3.93Å; F69-I110 HydrophobicContact CG-CG2 4.28Å |
| 70 | D | 90.9 | Very high | 90.9 | Very high | 77 Ų | 77 | 114.3 Ų | 114.3 | 41% | 0.412 | 55% | 0.551 | S | S | . | * | trans | -73.1 | 92.2 | 169 | -176.3 | 2.9 | 0 | 0 | 0 | 110.2 | L72 I110 K111 | D70-L72 PolarHBondContact O-N 2.83Å; D70-I110 CarbonylContact O-C 3.59Å; D70-I110 WeakPolarHBondContact O-CA 3.35Å; D70-K111 HydrophobicContact CB-CB 4.06Å; D70-K111 PolarHBondContact O-N 2.99Å; D70-K111 WeakPolarHBondContact OD2-CD 2.97Å; D70-K111 IonicContact OD2-NZ 3.47Å | ||
| 71 | V | 92 | Very high | 91.1 | Very high | 56 Ų | 56 | 112.4 Ų | 112.4 | 34% | 0.339 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 111.7 | -179.4 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | F69 T108 I110 | F69-V71 HydrophobicContact CB-CG2 4.49Å; F69-V71 PolarHBondContact O-N 2.76Å; V71-T108 HydrophobicContact CB-CG2 4.25Å; V71-T108 HydrophobicContact CG1-CG2 3.48Å; V71-T108 VanDerWaalsContact CG1-CG2 3.48Å; V71-T108 HydrophobicContact CG2-CG2 3.77Å; V71-I110 HydrophobicContact CG2-CG1 4.42Å |
| 72 | L | 92.9 | Very high | 91.3 | Very high | 94 Ų | 94 | 106 Ų | 106 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | -35.9 | 175.9 | -63 | 176.9 | 0 | 0 | 0 | 112.8 | D70 K109 K111 | D70-L72 PolarHBondContact O-N 2.83Å; L72-K109 HydrophobicContact CB-CG 4.41Å; L72-K109 HydrophobicContact CD1-CD 4.45Å; L72-K109 HydrophobicContact CD1-CG 4.39Å; L72-K109 PolarHBondContact N-O 3.01Å; L72-K111 HydrophobicContact CD1-CB 3.93Å; L72-K111 HydrophobicContact CD1-CG 4.25Å; L72-K111 HydrophobicContact CD2-CB 3.97Å; L72-K111 HydrophobicContact CD2-CD 4.27Å; L72-K111 HydrophobicContact CD2-CG 4.28Å; L72-K111 HydrophobicContact CG-CB 3.84Å; L72-K111 HydrophobicContact CG-CG 4.48Å |
| 73 | F | 93.6 | Very high | 91.5 | Very high | 114 Ų | 114 | 102.2 Ų | 102.2 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 141.7 | -175.6 | -179.3 | -105.8 | 0 | 0 | 0 | 110.4 | T75 T108 K109 | F73-T75 WeakPolarHBondContact CE1-OG1 3.3Å; F73-T75 WeakPolarHBondContact CZ-OG1 3.45Å; F73-T108 CarbonylContact O-C 3.57Å; F73-T108 WeakPolarHBondContact O-CA 3.17Å; F73-K109 HydrophobicContact CB-CB 4.07Å; F73-K109 PolarHBondContact N-O 3.39Å; F73-K109 PolarHBondContact O-N 3.17Å |
| 74 | S | 95.1 | Very high | 91.8 | Very high | 58 Ų | 58 | 99.4 Ų | 99.4 | 41% | 0.406 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 129.5 | 174 | -168.8 | 0 | 0 | 0 | 0 | 110 | T106 Y107 T108 | S74-T106 WeakPolarHBondContact OG-CG2 3.2Å; S74-Y107 CarbonylContact C-O 3.57Å; S74-Y107 VanDerWaalsContact CA-O 3.29Å; S74-Y107 WeakPolarHBondContact CA-O 3.42Å; S74-T108 PolarHBondContact OG-OG1 2.84Å; S74-T108 VanDerWaalsContact OG-OG1 3.11Å |
| 75 | T | 96.2 | Very high | 92.1 | Very high | 42 Ų | 42 | 95.5 Ų | 95.5 | 26% | 0.258 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 144.8 | 178.4 | -69.5 | 0 | 0 | 0 | 0 | 111 | F73 Y77 Y107 | F73-T75 WeakPolarHBondContact CE1-OG1 3.3Å; F73-T75 WeakPolarHBondContact CZ-OG1 3.45Å; T75-Y77 HydrophobicContact CG2-CD2 4.11Å; T75-Y77 HydrophobicContact CG2-CE1 4.33Å; T75-Y77 HydrophobicContact CG2-CE2 3.5Å; T75-Y107 PolarHBondContact N-O 3.33Å; T75-Y107 PolarHBondContact O-N 3.2Å |
| 76 | N | 96.8 | Very high | 92.4 | Very high | 82 Ų | 82 | 96.1 Ų | 96.1 | 44% | 0.439 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 138.6 | 178.9 | -61.7 | -52.7 | 0 | 0 | 0 | 110.1 | K104 V105 T106 | N76-K104 HydrophobicContact CB-CG 4.45Å; N76-K104 VanDerWaalsContact CG-CE 3.44Å; N76-V105 CarbonylContact C-O 3.57Å; N76-V105 WeakPolarHBondContact CA-O 3.43Å; N76-T106 WeakPolarHBondContact OD1-CB 2.84Å; N76-T106 WeakPolarHBondContact OD1-CG2 3.4Å; N76-T106 PolarHBondContact OD1-OG1 3.34Å |
| 77 | Y | 96.6 | Very high | 92.8 | Very high | 119 Ų | 119 | 95.2 Ų | 95.2 | 47% | 0.467 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 153.8 | 176.1 | -62 | -96.1 | 0 | 0 | 0 | 109.4 | T75 V105 Y107 | T75-Y77 HydrophobicContact CG2-CD2 4.11Å; T75-Y77 HydrophobicContact CG2-CE1 4.33Å; T75-Y77 HydrophobicContact CG2-CE2 3.5Å; Y77-V105 PolarHBondContact N-O 2.78Å; Y77-V105 WeakPolarHBondContact O-CG2 3.45Å; Y77-V105 PolarHBondContact O-N 3.43Å; Y77-Y107 AromaticContact CD2-CD2 3.43Å; Y77-Y107 HydrophobicContact CD2-CD2 3.43Å; Y77-Y107 VanDerWaalsContact CD2-CD2 3.43Å; Y77-Y107 HydrophobicContact CD2-CE2 4Å; Y77-Y107 HydrophobicContact CD2-CG 4.29Å; Y77-Y107 AromaticContact CE2-CD2 3.85Å; Y77-Y107 HydrophobicContact CE2-CD2 3.85Å; Y77-Y107 HydrophobicContact CE2-CG 4.29Å; Y77-Y107 HydrophobicContact CG-CD2 4.3Å; Y77-Y107 HydrophobicContact CG-CE2 4.47Å |
| 78 | I | 97.1 | Very high | 93.1 | Very high | 120 Ų | 120 | 91.9 Ų | 91.9 | 62% | 0.615 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 122 | 170.8 | -58.8 | 173.5 | 0 | 0 | 0 | 107.1 | E102 | I78-E102 HydrophobicContact CG2-CB 3.93Å; I78-E102 HydrophobicContact CG2-CG 3.94Å |
| 79 | R | 95.7 | Very high | 93.3 | Very high | 134 Ų | 134 | 87.9 Ų | 87.9 | 51% | 0.506 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 120.3 | 174.6 | 179 | -167.4 | 66.2 | -179.6 | 3 | 108.7 | T81 S103 V105 | R79-T81 PolarHBondContact NE-OG1 3.06Å; R79-S103 PolarHBondContact N-O 3.47Å; R79-S103 PolarHBondContact NE-OG 3.27Å; R79-S103 PolarHBondContact NH2-OG 3.01Å; R79-S103 PolarHBondContact O-N 3.41Å; R79-S103 PolarHBondContact O-OG 3.32Å; R79-V105 HydrophobicContact CB-CG1 3.84Å; R79-V105 HydrophobicContact CB-CG2 4.07Å |
| 80 | K | 96.1 | Very high | 93.4 | Very high | 134 Ų | 134 | 90.7 Ų | 90.7 | 58% | 0.583 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 122.4 | 168.8 | -70.1 | -179.3 | 176.1 | -169.3 | 0 | 109.4 | F100 E101 E102 | K80-F100 HydrophobicContact CB-CB 4.39Å; K80-F100 HydrophobicContact CB-CD1 4Å; K80-E101 CarbonylContact C-O 3.53Å; K80-E101 WeakPolarHBondContact CA-O 3.42Å; K80-E102 WeakPolarHBondContact CE-OE1 3.43Å; K80-E102 HydrophobicContact CG-CG 3.92Å; K80-E102 IonicContact NZ-OE1 3.63Å; K80-E102 PolarHBondContact NZ-OE1 2.84Å |
| 81 | T | 94.1 | Very high | 93.4 | Very high | 50 Ų | 50 | 92.9 Ų | 92.9 | 31% | 0.307 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.4 | 176.1 | -47.4 | 0 | 0 | 0 | 0 | 108.1 | R79 K83 F100 E101 | R79-T81 PolarHBondContact NE-OG1 3.06Å; T81-K83 PolarHBondContact O-N 3Å; T81-F100 WeakPolarHBondContact O-CA 3.29Å; T81-E101 PolarHBondContact N-O 2.83Å; T81-E101 PolarHBondContact O-N 3.42Å |
| 82 | P | 95.6 | Very high | 93.1 | Very high | 71 Ų | 71 | 96.3 Ų | 96.3 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 133.2 | 175.5 | 28.2 | -33.9 | 0 | 0 | 0 | 110 | F84 E99 F100 | P82-F84 HydrophobicContact CB-CE2 4.26Å; P82-F84 HydrophobicContact CB-CZ 4.21Å; P82-E99 CarbonylContact C-O 3.57Å; P82-E99 WeakPolarHBondContact CA-O 3.45Å; P82-F100 HydrophobicContact CB-CD1 4.46Å; P82-F100 HydrophobicContact CB-CE1 4.19Å |
| 83 | K | 93.5 | Very high | 93 | Very high | 95 Ų | 95 | 99.5 Ų | 99.5 | 41% | 0.413 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 121.6 | 174.7 | -171.4 | 179.9 | -172.7 | -178.7 | 0 | 107.9 | T81 L85 E99 | T81-K83 PolarHBondContact O-N 3Å; K83-L85 HydrophobicContact CD-CD2 4.07Å; K83-L85 HydrophobicContact CD-CG 4.49Å; K83-L85 HydrophobicContact CG-CD2 4.19Å; K83-L85 HydrophobicContact CG-CG 4.4Å; K83-E99 PolarHBondContact N-O 3.32Å; K83-E99 PolarHBondContact O-N 2.97Å |
| 84 | F | 92.7 | Very high | 92.8 | Very high | 147 Ų | 147 | 101.5 Ų | 101.5 | 65% | 0.645 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 115.3 | 177.4 | -58.4 | -77.7 | 0 | 0 | 0 | 108.4 | P82 | P82-F84 HydrophobicContact CB-CE2 4.26Å; P82-F84 HydrophobicContact CB-CZ 4.21Å |
| 85 | L | 90.6 | Very high | 92.6 | Very high | 48 Ų | 48 | 102.6 Ų | 102.6 | 25% | 0.251 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 143.5 | 178.4 | -63.9 | 173.6 | 0 | 0 | 0 | 109.1 | K83 V87 Q96 V97 E99 | K83-L85 HydrophobicContact CD-CD2 4.07Å; K83-L85 HydrophobicContact CD-CG 4.49Å; K83-L85 HydrophobicContact CG-CD2 4.19Å; K83-L85 HydrophobicContact CG-CG 4.4Å; L85-V87 HydrophobicContact CB-CG1 4.18Å; L85-Q96 CarbonylContact O-C 3.58Å; L85-Q96 VanDerWaalsContact O-CA 3.32Å; L85-Q96 WeakPolarHBondContact O-CA 3.35Å; L85-V97 PolarHBondContact N-O 2.7Å; L85-V97 PolarHBondContact O-N 2.83Å; L85-E99 HydrophobicContact CD1-CG 4.22Å; L85-E99 WeakPolarHBondContact CD1-OE2 2.9Å |
| 86 | T | 90.8 | Very high | 92.3 | Very high | 94 Ų | 94 | 108.1 Ų | 108.1 | 58% | 0.577 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 110.7 | 166.9 | -54.7 | 0 | 0 | 0 | 0 | 107.4 | F94 E95 | T86-F94 HydrophobicContact CG2-CB 3.73Å; T86-F94 HydrophobicContact CG2-CD1 3.79Å; T86-F94 HydrophobicContact CG2-CG 4.08Å; T86-E95 WeakPolarHBondContact CA-O 3.35Å |
| 87 | V | 91.6 | Very high | 92 | Very high | 57 Ų | 57 | 106.8 Ų | 106.8 | 35% | 0.345 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 151.2 | -179.1 | -61.5 | 0 | 0 | 0 | 0 | 109.7 | L85 F94 E95 V97 | L85-V87 HydrophobicContact CB-CG1 4.18Å; V87-F94 CarbonylContact O-C 3.58Å; V87-F94 WeakPolarHBondContact O-CA 3.44Å; V87-E95 PolarHBondContact N-O 2.92Å; V87-E95 PolarHBondContact O-N 2.78Å; V87-V97 HydrophobicContact CG2-CB 4.23Å; V87-V97 HydrophobicContact CG2-CG2 3.46Å; V87-V97 VanDerWaalsContact CG2-CG2 3.46Å |
| 88 | L | 91 | Very high | 91.7 | Very high | 93 Ų | 93 | 103.6 Ų | 103.6 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 120.8 | 172.7 | -161.1 | 80.1 | 0 | 0 | 0 | 108 | N92 F94 | L88-N92 HydrophobicContact CD2-CB 4.48Å; L88-N92 WeakPolarHBondContact CD2-OD1 3.38Å; L88-F94 HydrophobicContact CD1-CD1 3.99Å; L88-F94 HydrophobicContact CD1-CE1 3.85Å; L88-F94 HydrophobicContact CD1-CE2 4.41Å; L88-F94 HydrophobicContact CD1-CG 4.36Å; L88-F94 HydrophobicContact CD1-CZ 4.07Å |
| 89 | N | 88.1 | Confident | 91.5 | Very high | 59 Ų | 59 | 102.8 Ų | 102.8 | 32% | 0.316 | 51% | 0.512 | S | S | . | . | trans | -81.6 | 171.5 | 174.8 | -161.2 | 6.9 | 0 | 0 | 0 | 110.9 | E91 N92 R93 E95 | N89-E91 PolarHBondContact O-N 2.78Å; N89-N92 PolarHBondContact O-N 3.3Å; N89-R93 PolarHBondContact N-O 3.28Å; N89-E95 HydrophobicContact CB-CG 4.15Å; N89-E95 PolarHBondContact ND2-OE1 2.87Å; N89-E95 PolarHBondContact ND2-OE2 3.11Å | ||
| 90 | D | 90.6 | Very high | 91.4 | Very high | 161 Ų | 161 | 103.3 Ų | 103.3 | 86% | 0.861 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -24 | -178.4 | -66.2 | -26 | 0 | 0 | 0 | 113.5 | N92 | D90-N92 VanDerWaalsContact C-N 3.27Å; D90-N92 PolarHBondContact O-N 3.46Å |
| 91 | E | 91.3 | Very high | 91.3 | Very high | 123 Ų | 123 | 102.1 Ų | 102.1 | 58% | 0.575 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | 11.2 | 175.5 | -58.8 | -170.4 | 164.4 | 0 | 0 | 114.2 | N89 R93 | N89-E91 PolarHBondContact O-N 2.78Å; E91-R93 HydrophobicContact CB-CG 4.29Å; E91-R93 PolarHBondContact O-N 3.12Å; E91-R93 IonicContact OE2-CZ 3.35Å; E91-R93 IonicContact OE2-NE 3.76Å; E91-R93 IonicContact OE2-NH1 2.81Å; E91-R93 PolarHBondContact OE2-NH1 2.87Å |
| 92 | N | 85.9 | Confident | 91.5 | Very high | 128 Ų | 128 | 105.3 Ų | 105.3 | 68% | 0.684 | 53% | 0.527 | S | S | * | . | S | Bend | trans | 56 | 29.4 | -171.5 | -67 | -42.3 | 0 | 0 | 0 | 113.9 | L88 N89 D90 | L88-N92 HydrophobicContact CD2-CB 4.48Å; L88-N92 WeakPolarHBondContact CD2-OD1 3.38Å; N89-N92 PolarHBondContact O-N 3.3Å; D90-N92 VanDerWaalsContact C-N 3.27Å; D90-N92 PolarHBondContact O-N 3.46Å |
| 93 | R | 90.1 | Very high | 91.4 | Very high | 160 Ų | 160 | 103.4 Ų | 103.4 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | trans | -104.3 | 140.6 | 175.7 | -67.6 | -179.6 | 178.6 | 156.7 | 4.4 | 110 | N89 E91 E95 | N89-R93 PolarHBondContact N-O 3.28Å; E91-R93 HydrophobicContact CB-CG 4.29Å; E91-R93 PolarHBondContact O-N 3.12Å; E91-R93 IonicContact OE2-CZ 3.35Å; E91-R93 IonicContact OE2-NE 3.76Å; E91-R93 IonicContact OE2-NH1 2.81Å; E91-R93 PolarHBondContact OE2-NH1 2.87Å; R93-E95 PolarHBondContact O-N 2.83Å | ||
| 94 | F | 90 | Very high | 91.4 | Very high | 157 Ų | 157 | 106.3 Ų | 106.3 | 69% | 0.689 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 120.7 | 173.8 | -68.7 | -70.6 | 0 | 0 | 0 | 110.1 | T86 V87 L88 | T86-F94 HydrophobicContact CG2-CB 3.73Å; T86-F94 HydrophobicContact CG2-CD1 3.79Å; T86-F94 HydrophobicContact CG2-CG 4.08Å; V87-F94 CarbonylContact O-C 3.58Å; V87-F94 WeakPolarHBondContact O-CA 3.44Å; L88-F94 HydrophobicContact CD1-CD1 3.99Å; L88-F94 HydrophobicContact CD1-CE1 3.85Å; L88-F94 HydrophobicContact CD1-CE2 4.41Å; L88-F94 HydrophobicContact CD1-CG 4.36Å; L88-F94 HydrophobicContact CD1-CZ 4.07Å |
| 95 | E | 90 | Very high | 91.5 | Very high | 81 Ų | 81 | 100.8 Ų | 100.8 | 38% | 0.379 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 144.5 | 174.8 | -70 | -176.4 | -174 | 0 | 0 | 110.6 | T86 V87 N89 R93 | T86-E95 WeakPolarHBondContact CA-O 3.35Å; V87-E95 PolarHBondContact N-O 2.92Å; V87-E95 PolarHBondContact O-N 2.78Å; N89-E95 HydrophobicContact CB-CG 4.15Å; N89-E95 PolarHBondContact ND2-OE1 2.87Å; N89-E95 PolarHBondContact ND2-OE2 3.11Å; R93-E95 PolarHBondContact O-N 2.83Å |
| 96 | Q | 90.2 | Very high | 91.7 | Very high | 157 Ų | 157 | 101.7 Ų | 101.7 | 73% | 0.734 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 116.5 | 172.1 | -71.5 | -172.4 | 20 | 0 | 0 | 109.7 | L85 | L85-Q96 CarbonylContact O-C 3.58Å; L85-Q96 VanDerWaalsContact O-CA 3.32Å; L85-Q96 WeakPolarHBondContact O-CA 3.35Å |
| 97 | V | 90.7 | Very high | 91.8 | Very high | 55 Ų | 55 | 104.4 Ų | 104.4 | 33% | 0.333 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 129.8 | 174.1 | 177.5 | 0 | 0 | 0 | 0 | 108.8 | L85 V87 E99 | L85-V97 PolarHBondContact N-O 2.7Å; L85-V97 PolarHBondContact O-N 2.83Å; V87-V97 HydrophobicContact CG2-CB 4.23Å; V87-V97 HydrophobicContact CG2-CG2 3.46Å; V87-V97 VanDerWaalsContact CG2-CG2 3.46Å; V97-E99 HydrophobicContact CG1-CG 4.19Å |
| 98 | G | 91.1 | Very high | 91.9 | Very high | 52 Ų | 52 | 103.6 Ų | 103.6 | 54% | 0.536 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 110.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 99 | E | 92.3 | Very high | 92 | Very high | 102 Ų | 102 | 105.6 Ų | 105.6 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 167.6 | 170 | -66.6 | -172.4 | 176.3 | 0 | 0 | 110.6 | P82 K83 L85 V97 | P82-E99 CarbonylContact C-O 3.57Å; P82-E99 WeakPolarHBondContact CA-O 3.45Å; K83-E99 PolarHBondContact N-O 3.32Å; K83-E99 PolarHBondContact O-N 2.97Å; L85-E99 HydrophobicContact CD1-CG 4.22Å; L85-E99 WeakPolarHBondContact CD1-OE2 2.9Å; V97-E99 HydrophobicContact CG1-CG 4.19Å |
| 100 | F | 94 | Very high | 92.3 | Very high | 145 Ų | 145 | 106.3 Ų | 106.3 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 125.8 | 171.5 | -73.4 | -88.4 | 0 | 0 | 0 | 109.8 | K80 T81 P82 | K80-F100 HydrophobicContact CB-CB 4.39Å; K80-F100 HydrophobicContact CB-CD1 4Å; T81-F100 WeakPolarHBondContact O-CA 3.29Å; P82-F100 HydrophobicContact CB-CD1 4.46Å; P82-F100 HydrophobicContact CB-CE1 4.19Å |
| 101 | E | 94.3 | Very high | 92.3 | Very high | 110 Ų | 110 | 103.5 Ų | 103.5 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 129 | 170.5 | -175.5 | 173.1 | -157.2 | 0 | 0 | 109.8 | K80 T81 | K80-E101 CarbonylContact C-O 3.53Å; K80-E101 WeakPolarHBondContact CA-O 3.42Å; T81-E101 PolarHBondContact N-O 2.83Å; T81-E101 PolarHBondContact O-N 3.42Å |
| 102 | E | 96.7 | Very high | 92.1 | Very high | 116 Ų | 116 | 106.1 Ų | 106.1 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 130.5 | 174.3 | -71.2 | -169.8 | 173.3 | 0 | 0 | 110.8 | I78 K80 | I78-E102 HydrophobicContact CG2-CB 3.93Å; I78-E102 HydrophobicContact CG2-CG 3.94Å; K80-E102 WeakPolarHBondContact CE-OE1 3.43Å; K80-E102 HydrophobicContact CG-CG 3.92Å; K80-E102 IonicContact NZ-OE1 3.63Å; K80-E102 PolarHBondContact NZ-OE1 2.84Å |
| 103 | S | 94.1 | Very high | 91.7 | Very high | 31 Ų | 31 | 106.2 Ų | 106.2 | 22% | 0.217 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 140.9 | 178.5 | 55.8 | 0 | 0 | 0 | 0 | 110.2 | R79 | R79-S103 PolarHBondContact N-O 3.47Å; R79-S103 PolarHBondContact NE-OG 3.27Å; R79-S103 PolarHBondContact NH2-OG 3.01Å; R79-S103 PolarHBondContact O-N 3.41Å; R79-S103 PolarHBondContact O-OG 3.32Å |
| 104 | K | 94.7 | Very high | 90.5 | Very high | 157 Ų | 157 | 108 Ų | 108 | 68% | 0.683 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 126 | 177.5 | -170.6 | 174.4 | -177.9 | 175.1 | 0 | 109.9 | N76 | N76-K104 HydrophobicContact CB-CG 4.45Å; N76-K104 VanDerWaalsContact CG-CE 3.44Å |
| 105 | V | 93.6 | Very high | 88.8 | Confident | 31 Ų | 31 | 108.9 Ų | 108.9 | 19% | 0.188 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 139.2 | 175 | -62.1 | 0 | 0 | 0 | 0 | 110 | N76 Y77 R79 Y107 | N76-V105 CarbonylContact C-O 3.57Å; N76-V105 WeakPolarHBondContact CA-O 3.43Å; Y77-V105 PolarHBondContact N-O 2.78Å; Y77-V105 WeakPolarHBondContact O-CG2 3.45Å; Y77-V105 PolarHBondContact O-N 3.43Å; R79-V105 HydrophobicContact CB-CG1 3.84Å; R79-V105 HydrophobicContact CB-CG2 4.07Å; V105-Y107 HydrophobicContact CB-CE2 4.46Å; V105-Y107 HydrophobicContact CG2-CD2 4.2Å; V105-Y107 HydrophobicContact CG2-CE2 3.65Å |
| 106 | T | 94 | Very high | 87 | Confident | 66 Ų | 66 | 110.9 Ų | 110.9 | 41% | 0.405 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 117.6 | 176.8 | -53.7 | 0 | 0 | 0 | 0 | 109.2 | S74 N76 | S74-T106 WeakPolarHBondContact OG-CG2 3.2Å; N76-T106 WeakPolarHBondContact OD1-CB 2.84Å; N76-T106 WeakPolarHBondContact OD1-CG2 3.4Å; N76-T106 PolarHBondContact OD1-OG1 3.34Å |
| 107 | Y | 94.2 | Very high | 84.9 | Confident | 152 Ų | 152 | 108.5 Ų | 108.5 | 60% | 0.596 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 130.7 | 169.5 | -73.4 | -98.7 | 0 | 0 | 0 | 108.8 | S74 T75 Y77 V105 | S74-Y107 CarbonylContact C-O 3.57Å; S74-Y107 VanDerWaalsContact CA-O 3.29Å; S74-Y107 WeakPolarHBondContact CA-O 3.42Å; T75-Y107 PolarHBondContact N-O 3.33Å; T75-Y107 PolarHBondContact O-N 3.2Å; Y77-Y107 AromaticContact CD2-CD2 3.43Å; Y77-Y107 HydrophobicContact CD2-CD2 3.43Å; Y77-Y107 VanDerWaalsContact CD2-CD2 3.43Å; Y77-Y107 HydrophobicContact CD2-CE2 4Å; Y77-Y107 HydrophobicContact CD2-CG 4.29Å; Y77-Y107 AromaticContact CE2-CD2 3.85Å; Y77-Y107 HydrophobicContact CE2-CD2 3.85Å; Y77-Y107 HydrophobicContact CE2-CG 4.29Å; Y77-Y107 HydrophobicContact CG-CD2 4.3Å; Y77-Y107 HydrophobicContact CG-CE2 4.47Å; V105-Y107 HydrophobicContact CB-CE2 4.46Å; V105-Y107 HydrophobicContact CG2-CD2 4.2Å; V105-Y107 HydrophobicContact CG2-CE2 3.65Å |
| 108 | T | 93.1 | Very high | 82.8 | Confident | 40 Ų | 40 | 110.8 Ų | 110.8 | 25% | 0.245 | 56% | 0.564 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.3 | 123.1 | 179.8 | -57.9 | 0 | 0 | 0 | 0 | 109.2 | K66 V71 F73 S74 I110 | K66-T108 HydrophobicContact CD-CG2 4.28Å; K66-T108 PolarHBondContact NZ-OG1 3.34Å; V71-T108 HydrophobicContact CB-CG2 4.25Å; V71-T108 HydrophobicContact CG1-CG2 3.48Å; V71-T108 VanDerWaalsContact CG1-CG2 3.48Å; V71-T108 HydrophobicContact CG2-CG2 3.77Å; F73-T108 CarbonylContact O-C 3.57Å; F73-T108 WeakPolarHBondContact O-CA 3.17Å; S74-T108 PolarHBondContact OG-OG1 2.84Å; S74-T108 VanDerWaalsContact OG-OG1 3.11Å; T108-I110 HydrophobicContact CG2-CG1 4.07Å |
| 109 | K | 94.3 | Very high | 80.7 | Confident | 134 Ų | 134 | 119.5 Ų | 119.5 | 58% | 0.583 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.7 | 118.7 | 172.4 | -172.6 | 179.4 | -179.6 | 178.5 | 0 | 108.2 | L72 F73 | L72-K109 HydrophobicContact CB-CG 4.41Å; L72-K109 HydrophobicContact CD1-CD 4.45Å; L72-K109 HydrophobicContact CD1-CG 4.39Å; L72-K109 PolarHBondContact N-O 3.01Å; F73-K109 HydrophobicContact CB-CB 4.07Å; F73-K109 PolarHBondContact N-O 3.39Å; F73-K109 PolarHBondContact O-N 3.17Å |
| 110 | I | 92.6 | Very high | 80.1 | Confident | 75 Ų | 75 | 120.4 Ų | 120.4 | 39% | 0.385 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.3 | 136.8 | 179.8 | -62.3 | 167.4 | 0 | 0 | 0 | 108.1 | F69 D70 V71 T108 | F69-I110 HydrophobicContact CB-CD1 4.03Å; F69-I110 HydrophobicContact CB-CG1 4.23Å; F69-I110 HydrophobicContact CB-CG2 3.88Å; F69-I110 HydrophobicContact CD1-CD1 4.06Å; F69-I110 HydrophobicContact CD1-CG2 3.94Å; F69-I110 HydrophobicContact CD2-CD1 4.45Å; F69-I110 HydrophobicContact CG-CD1 3.93Å; F69-I110 HydrophobicContact CG-CG2 4.28Å; D70-I110 CarbonylContact O-C 3.59Å; D70-I110 WeakPolarHBondContact O-CA 3.35Å; V71-I110 HydrophobicContact CG2-CG1 4.42Å; T108-I110 HydrophobicContact CG2-CG1 4.07Å |
| 111 | K | 91.7 | Very high | 79.4 | Confident | 102 Ų | 102 | 119.1 Ų | 119.1 | 44% | 0.443 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -67.7 | 134.3 | 173.2 | -163.7 | -177.4 | -175.2 | 176 | 0 | 108.6 | D70 L72 D113 | D70-K111 HydrophobicContact CB-CB 4.06Å; D70-K111 PolarHBondContact O-N 2.99Å; D70-K111 WeakPolarHBondContact OD2-CD 2.97Å; D70-K111 IonicContact OD2-NZ 3.47Å; L72-K111 HydrophobicContact CD1-CB 3.93Å; L72-K111 HydrophobicContact CD1-CG 4.25Å; L72-K111 HydrophobicContact CD2-CB 3.97Å; L72-K111 HydrophobicContact CD2-CD 4.27Å; L72-K111 HydrophobicContact CD2-CG 4.28Å; L72-K111 HydrophobicContact CG-CB 3.84Å; L72-K111 HydrophobicContact CG-CG 4.48Å; K111-D113 PolarHBondContact O-N 2.92Å |
| 112 | K | 86.8 | Confident | 78.5 | Confident | 178 Ų | 178 | 119.6 Ų | 119.6 | 77% | 0.774 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -68 | 125.8 | 169.8 | -171.6 | -178.8 | -179.9 | -177.6 | 0 | 107.7 | K114 | K112-K114 PolarHBondContact O-N 3.11Š|
| 113 | D | 78 | Confident | 77.5 | Confident | 129 Ų | 129 | 119.8 Ų | 119.8 | 69% | 0.69 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 129.4 | 169.4 | -63.8 | -41.1 | 0 | 0 | 0 | 108.6 | K111 K115 | K111-D113 PolarHBondContact O-N 2.92Å; D113-K115 VanDerWaalsContact C-N 3.28Å; D113-K115 PolarHBondContact O-N 2.87Å |
| 114 | K | 63.5 | Low | 76.4 | Confident | 199 Ų | 199 | 125.4 Ų | 125.4 | 87% | 0.865 | 63% | 0.625 | S | S | * | * | trans | -61.2 | 104.1 | 162.9 | -74.2 | -173.5 | 178.4 | -177.5 | 0 | 104.3 | K112 | K112-K114 PolarHBondContact O-N 3.11Š| ||
| 115 | K | 55.7 | Low | 75.2 | Confident | 175 Ų | 175 | 123.3 Ų | 123.3 | 76% | 0.761 | 62% | 0.622 | S | S | * | * | trans | -46.6 | 132.2 | 164.7 | -78.2 | -170.5 | 171.7 | -168.6 | 0 | 106.3 | D113 T117 | D113-K115 VanDerWaalsContact C-N 3.28Å; D113-K115 PolarHBondContact O-N 2.87Å; K115-T117 PolarHBondContact O-N 3.35Å; K115-T117 VanDerWaalsContact O-N 3.11Å | ||
| 116 | P | 50.8 | Low | 73.9 | Confident | 122 Ų | 122 | 129.9 Ų | 129.9 | 79% | 0.792 | 65% | 0.653 | S | S | * | * | trans | -53.8 | 127.1 | 173 | 21.8 | -30.2 | 0 | 0 | 0 | 106.8 | A118 | P116-A118 PolarHBondContact O-N 2.9Š| ||
| 117 | T | 46 | Very low | 72.3 | Confident | 108 Ų | 108 | 134.8 Ų | 134.8 | 66% | 0.663 | 67% | 0.672 | S | S | * | * | trans | -53.3 | 108.6 | 173.3 | -43.8 | 0 | 0 | 0 | 0 | 106.2 | K115 H119 | K115-T117 PolarHBondContact O-N 3.35Å; K115-T117 VanDerWaalsContact O-N 3.11Å; T117-H119 VanDerWaalsContact C-N 3.32Å; T117-H119 PolarHBondContact O-N 3.01Å | ||
| 118 | A | 47.6 | Very low | 70.5 | Confident | 102 Ų | 102 | 133.3 Ų | 133.3 | 84% | 0.843 | 68% | 0.678 | S | S | * | * | trans | -67.6 | 102.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 105.2 | P116 | P116-A118 PolarHBondContact O-N 2.9Š| ||
| 119 | H | 46.2 | Very low | 68.5 | Low | 236 Ų | 236 | 141.8 Ų | 141.8 | 100% | 1.093 | 72% | 0.717 | S | S | * | * | trans | -81.8 | 0 | 163.3 | -78.4 | -65.2 | 0 | 0 | 0 | 108.9 | T117 | T117-H119 VanDerWaalsContact C-N 3.32Å; T117-H119 PolarHBondContact O-N 3.01Å |
Retrieved 119 of 119 residues in 115.8 ms
(Link to these results)