| 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 | 39 | Very low | 54.1 | Low | 252 Ų | 252 | 146.2 Ų | 146.2 | 100% | 1.241 | 76% | 0.763 | S | S | * | * | 0 | 79.2 | 0 | -63.2 | -177.7 | -140.5 | 0 | 0 | 108.6 | |||||
| 2 | A | 46.5 | Very low | 54.2 | Low | 97 Ų | 97 | 137.1 Ų | 137.1 | 80% | 0.802 | 73% | 0.725 | S | S | * | * | trans | -164.3 | 107.6 | 172 | 0 | 0 | 0 | 0 | 0 | 102.2 | ||||
| 3 | S | 55.6 | Low | 54.5 | Low | 96 Ų | 96 | 132.9 Ų | 132.9 | 67% | 0.671 | 71% | 0.708 | S | S | * | * | -172.9 | 83.9 | 80.6 | 44.2 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 4 | L | 56.9 | Low | 55.2 | Low | 155 Ų | 155 | 130.6 Ų | 130.6 | 81% | 0.812 | 69% | 0.694 | S | S | * | * | trans | -99.5 | 9.5 | 164.3 | -87.9 | 159.6 | 0 | 0 | 0 | 112.4 | I6 | L4-I6 PolarHBondContact O-N 3.4Š| ||
| 5 | Q | 56.2 | Low | 55.7 | Low | 173 Ų | 173 | 129.6 Ų | 129.6 | 81% | 0.808 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -81.7 | -6.2 | -176.3 | -71.1 | -173 | -38.5 | 0 | 0 | 115 | L7 Y8 | Q5-L7 PolarHBondContact O-N 3.16Å; Q5-Y8 PolarHBondContact O-N 2.78Å |
| 6 | I | 55.9 | Low | 56.5 | Low | 134 Ų | 134 | 127.3 Ų | 127.3 | 69% | 0.687 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -71.3 | -16.9 | -179 | -64.8 | 169.6 | 0 | 0 | 0 | 112.1 | L4 | L4-I6 PolarHBondContact O-N 3.4Š|
| 7 | L | 53.8 | Low | 57.1 | Low | 130 Ų | 130 | 125.8 Ų | 125.8 | 68% | 0.681 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -89.2 | -0.8 | -179.7 | -67.6 | 171.6 | 0 | 0 | 0 | 114.7 | Q5 | Q5-L7 PolarHBondContact O-N 3.16Š|
| 8 | Y | 56.5 | Low | 57.9 | Low | 218 Ų | 218 | 123.9 Ų | 123.9 | 86% | 0.855 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -92.4 | 10.9 | -178.1 | -110.8 | -87.3 | 0 | 0 | 0 | 114.9 | Q5 | Q5-Y8 PolarHBondContact O-N 2.78Š|
| 9 | Q | 57.4 | Low | 58.4 | Low | 125 Ų | 125 | 124.3 Ų | 124.3 | 58% | 0.584 | 66% | 0.658 | S | S | * | * | trans | -87.1 | 120.6 | 170.2 | -76.5 | -169.7 | -83.1 | 0 | 0 | 110.1 | Q11 A12 | Q9-Q11 PolarHBondContact O-N 2.87Å; Q9-A12 WeakPolarHBondContact O-CB 3.23Å; Q9-A12 PolarHBondContact O-N 3.16Å | ||
| 10 | P | 57.8 | Low | 59 | Low | 103 Ų | 103 | 121.2 Ų | 121.2 | 67% | 0.669 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -58.6 | -21 | -178.3 | 21.4 | -31.6 | 0 | 0 | 0 | 113.1 | A12 V13 I14 | P10-A12 VanDerWaalsContact C-N 3.34Å; P10-A12 PolarHBondContact O-N 2.85Å; P10-V13 PolarHBondContact O-N 3.46Å; P10-I14 PolarHBondContact O-N 2.84Å |
| 11 | Q | 59.4 | Low | 59.4 | Low | 125 Ų | 125 | 120.2 Ų | 120.2 | 58% | 0.584 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -61.9 | -38 | 172.4 | -166.2 | 171.6 | -0.3 | 0 | 0 | 112.2 | Q9 V13 I14 H15 | Q9-Q11 PolarHBondContact O-N 2.87Å; Q11-V13 PolarHBondContact O-N 2.76Å; Q11-I14 PolarHBondContact O-N 2.93Å; Q11-H15 PolarHBondContact O-N 2.92Å; Q11-H15 PolarHBondContact O-ND1 2.86Å |
| 12 | A | 55.6 | Low | 60.6 | Low | 37 Ų | 37 | 113.3 Ų | 113.3 | 31% | 0.306 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67 | -35.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q9 P10 I14 H15 V16 | Q9-A12 WeakPolarHBondContact O-CB 3.23Å; Q9-A12 PolarHBondContact O-N 3.16Å; P10-A12 VanDerWaalsContact C-N 3.34Å; P10-A12 PolarHBondContact O-N 2.85Å; A12-I14 VanDerWaalsContact C-N 3.33Å; A12-I14 PolarHBondContact O-N 3.35Å; A12-H15 PolarHBondContact O-N 2.76Å; A12-V16 WeakPolarHBondContact O-CG2 3.45Å; A12-V16 PolarHBondContact O-N 3.44Å; A12-V16 VanDerWaalsContact O-N 3.12Å |
| 13 | V | 58.6 | Low | 61.3 | Low | 83 Ų | 83 | 115 Ų | 115 | 50% | 0.503 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.2 | -40.5 | 178.5 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | P10 Q11 H15 V16 L17 | P10-V13 PolarHBondContact O-N 3.46Å; Q11-V13 PolarHBondContact O-N 2.76Å; V13-H15 VanDerWaalsContact C-N 3.34Å; V13-H15 PolarHBondContact O-N 2.97Å; V13-V16 PolarHBondContact O-N 2.86Å; V13-L17 HydrophobicContact CG1-CD1 4.15Å; V13-L17 WeakPolarHBondContact O-CG 3.44Å; V13-L17 PolarHBondContact O-N 2.87Å; V13-L17 VanDerWaalsContact O-N 3.1Å |
| 14 | I | 63.4 | Low | 61.3 | Low | 101 Ų | 101 | 116.8 Ų | 116.8 | 52% | 0.518 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.7 | -40.3 | 177.7 | -62.5 | 169.5 | 0 | 0 | 0 | 111.1 | P10 Q11 A12 L17 I18 | P10-I14 PolarHBondContact O-N 2.84Å; Q11-I14 PolarHBondContact O-N 2.93Å; A12-I14 VanDerWaalsContact C-N 3.33Å; A12-I14 PolarHBondContact O-N 3.35Å; I14-L17 PolarHBondContact O-N 2.87Å; I14-I18 HydrophobicContact CG2-CD1 3.91Å; I14-I18 WeakPolarHBondContact O-CG1 3.3Å; I14-I18 PolarHBondContact O-N 3.02Å; I14-I18 VanDerWaalsContact O-N 3.1Å |
| 15 | H | 62.6 | Low | 61.3 | Low | 115 Ų | 115 | 115.2 Ų | 115.2 | 53% | 0.532 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.3 | -39.1 | -179.9 | -69.4 | 71.7 | 0 | 0 | 0 | 112 | Q11 A12 V13 I18 L19 | Q11-H15 PolarHBondContact O-N 2.92Å; Q11-H15 PolarHBondContact O-ND1 2.86Å; A12-H15 PolarHBondContact O-N 2.76Å; V13-H15 VanDerWaalsContact C-N 3.34Å; V13-H15 PolarHBondContact O-N 2.97Å; H15-I18 PolarHBondContact O-N 2.99Å; H15-L19 PolarHBondContact O-N 3.13Å; H15-L19 VanDerWaalsContact O-N 3.08Å |
| 16 | V | 68.9 | Low | 61.1 | Low | 92 Ų | 92 | 111.1 Ų | 111.1 | 56% | 0.558 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.9 | -42 | 176.2 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | A12 V13 L19 C20 | A12-V16 WeakPolarHBondContact O-CG2 3.45Å; A12-V16 PolarHBondContact O-N 3.44Å; A12-V16 VanDerWaalsContact O-N 3.12Å; V13-V16 PolarHBondContact O-N 2.86Å; V16-L19 PolarHBondContact O-N 2.79Å; V16-C20 PolarHBondContact O-N 2.77Å; V16-C20 PolarHBondContact O-SG 3.21Å; V16-C20 VanDerWaalsContact O-SG 3.35Å |
| 17 | L | 67.4 | Low | 60.9 | Low | 103 Ų | 103 | 109.2 Ų | 109.2 | 54% | 0.539 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.7 | -42.2 | 178.1 | -72.4 | 169.4 | 0 | 0 | 0 | 112.6 | V13 I14 L19 C20 L21 | V13-L17 HydrophobicContact CG1-CD1 4.15Å; V13-L17 WeakPolarHBondContact O-CG 3.44Å; V13-L17 PolarHBondContact O-N 2.87Å; V13-L17 VanDerWaalsContact O-N 3.1Å; I14-L17 PolarHBondContact O-N 2.87Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 2.88Å; L17-C20 PolarHBondContact O-N 2.78Å; L17-L21 PolarHBondContact O-N 2.99Å |
| 18 | I | 71.9 | Confident | 60.5 | Low | 92 Ų | 92 | 105.5 Ų | 105.5 | 47% | 0.472 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.4 | -41 | 175.2 | -67.1 | 166.5 | 0 | 0 | 0 | 110.6 | I14 H15 L21 I22 | I14-I18 HydrophobicContact CG2-CD1 3.91Å; I14-I18 WeakPolarHBondContact O-CG1 3.3Å; I14-I18 PolarHBondContact O-N 3.02Å; I14-I18 VanDerWaalsContact O-N 3.1Å; H15-I18 PolarHBondContact O-N 2.99Å; I18-L21 PolarHBondContact O-N 3.21Å; I18-I22 HydrophobicContact CG2-CD1 3.91Å; I18-I22 WeakPolarHBondContact O-CG1 3.38Å; I18-I22 PolarHBondContact O-N 2.9Å |
| 19 | L | 66.7 | Low | 60 | Low | 130 Ų | 130 | 103.8 Ų | 103.8 | 68% | 0.681 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.5 | -41.2 | 178.3 | -142.6 | 92.1 | 0 | 0 | 0 | 112 | H15 V16 L17 I22 L23 | H15-L19 PolarHBondContact O-N 3.13Å; H15-L19 VanDerWaalsContact O-N 3.08Å; V16-L19 PolarHBondContact O-N 2.79Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 2.88Å; L19-I22 PolarHBondContact O-N 2.81Å; L19-L23 WeakPolarHBondContact O-CB 3.43Å; L19-L23 PolarHBondContact O-N 2.62Å |
| 20 | C | 70.9 | Confident | 59.6 | Low | 62 Ų | 62 | 102.9 Ų | 102.9 | 42% | 0.419 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.3 | -43.6 | 175.7 | -68.1 | 0 | 0 | 0 | 0 | 111.9 | V16 L17 I22 L23 E24 | V16-C20 PolarHBondContact O-N 2.77Å; V16-C20 PolarHBondContact O-SG 3.21Å; V16-C20 VanDerWaalsContact O-SG 3.35Å; L17-C20 PolarHBondContact O-N 2.78Å; C20-I22 PolarHBondContact O-N 2.93Å; C20-L23 PolarHBondContact O-N 3.02Å; C20-E24 WeakPolarHBondContact O-CG 3.26Å; C20-E24 PolarHBondContact O-N 2.83Å |
| 21 | L | 66.7 | Low | 59 | Low | 102 Ų | 102 | 105.2 Ų | 105.2 | 53% | 0.534 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.2 | -44 | 176.1 | -101.1 | 136.4 | 0 | 0 | 0 | 111.8 | L17 I18 L23 E24 I25 | L17-L21 PolarHBondContact O-N 2.99Å; I18-L21 PolarHBondContact O-N 3.21Å; L21-L23 VanDerWaalsContact C-N 3.31Å; L21-L23 PolarHBondContact O-N 3.11Å; L21-E24 PolarHBondContact O-N 2.89Å; L21-I25 VanDerWaalsContact O-CD1 3.23Å; L21-I25 WeakPolarHBondContact O-CD1 3.48Å; L21-I25 WeakPolarHBondContact O-CG1 3.32Å; L21-I25 PolarHBondContact O-N 2.85Å |
| 22 | I | 64.2 | Low | 58.7 | Low | 107 Ų | 107 | 107.4 Ų | 107.4 | 55% | 0.549 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.2 | -38.3 | 177.1 | -64.8 | 168 | 0 | 0 | 0 | 111 | I18 L19 C20 I25 A26 | I18-I22 HydrophobicContact CG2-CD1 3.91Å; I18-I22 WeakPolarHBondContact O-CG1 3.38Å; I18-I22 PolarHBondContact O-N 2.9Å; L19-I22 PolarHBondContact O-N 2.81Å; C20-I22 PolarHBondContact O-N 2.93Å; I22-I25 PolarHBondContact O-N 3.13Å; I22-A26 WeakPolarHBondContact O-CB 3.26Å; I22-A26 PolarHBondContact O-N 2.87Å |
| 23 | L | 61.1 | Low | 59.2 | Low | 131 Ų | 131 | 113.5 Ų | 113.5 | 69% | 0.686 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.5 | -39.1 | 179 | -168 | 65 | 0 | 0 | 0 | 112.3 | L19 C20 L21 A26 S27 | L19-L23 WeakPolarHBondContact O-CB 3.43Å; L19-L23 PolarHBondContact O-N 2.62Å; C20-L23 PolarHBondContact O-N 3.02Å; L21-L23 VanDerWaalsContact C-N 3.31Å; L21-L23 PolarHBondContact O-N 3.11Å; L23-A26 PolarHBondContact O-N 2.86Å; L23-S27 PolarHBondContact O-N 3.27Å |
| 24 | E | 55.6 | Low | 60.5 | Low | 135 Ų | 135 | 111.2 Ų | 111.2 | 63% | 0.631 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.1 | -43.4 | 175.3 | -73.9 | 175.8 | -173.7 | 0 | 0 | 111.4 | C20 L21 A26 S27 G28 | C20-E24 WeakPolarHBondContact O-CG 3.26Å; C20-E24 PolarHBondContact O-N 2.83Å; L21-E24 PolarHBondContact O-N 2.89Å; E24-A26 VanDerWaalsContact C-N 3.32Å; E24-A26 PolarHBondContact O-N 2.88Å; E24-S27 PolarHBondContact O-N 3.46Å; E24-S27 VanDerWaalsContact O-N 3.12Å; E24-S27 PolarHBondContact O-OG 2.61Å; E24-G28 PolarHBondContact O-N 2.91Å |
| 25 | I | 56.1 | Low | 61.9 | Low | 122 Ų | 122 | 107.8 Ų | 107.8 | 63% | 0.626 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.4 | -36.6 | 177.9 | -60.4 | 158.1 | 0 | 0 | 0 | 111.3 | L21 I22 S27 G28 | L21-I25 VanDerWaalsContact O-CD1 3.23Å; L21-I25 WeakPolarHBondContact O-CD1 3.48Å; L21-I25 WeakPolarHBondContact O-CG1 3.32Å; L21-I25 PolarHBondContact O-N 2.85Å; I22-I25 PolarHBondContact O-N 3.13Å; I25-S27 PolarHBondContact O-N 3.43Å; I25-G28 PolarHBondContact O-N 2.94Å; I25-G28 VanDerWaalsContact O-N 3.1Å |
| 26 | A | 53.3 | Low | 63.5 | Low | 86 Ų | 86 | 102.3 Ų | 102.3 | 71% | 0.711 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.8 | -25 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I22 L23 E24 | I22-A26 WeakPolarHBondContact O-CB 3.26Å; I22-A26 PolarHBondContact O-N 2.87Å; L23-A26 PolarHBondContact O-N 2.86Å; E24-A26 VanDerWaalsContact C-N 3.32Å; E24-A26 PolarHBondContact O-N 2.88Å |
| 27 | S | 50.7 | Low | 64.8 | Low | 94 Ų | 94 | 100.1 Ų | 100.1 | 66% | 0.657 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -2.8 | 175.2 | 73.1 | 0 | 0 | 0 | 0 | 113.9 | L23 E24 I25 Q29 | L23-S27 PolarHBondContact O-N 3.27Å; E24-S27 PolarHBondContact O-N 3.46Å; E24-S27 VanDerWaalsContact O-N 3.12Å; E24-S27 PolarHBondContact O-OG 2.61Å; I25-S27 PolarHBondContact O-N 3.43Å; S27-Q29 VanDerWaalsContact C-N 3.28Å; S27-Q29 PolarHBondContact O-N 2.9Å |
| 28 | G | 46.3 | Very low | 66.2 | Low | 52 Ų | 52 | 96.3 Ų | 96.3 | 54% | 0.536 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -65.1 | 88.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | E24 I25 D30 | E24-G28 PolarHBondContact O-N 2.91Å; I25-G28 PolarHBondContact O-N 2.94Å; I25-G28 VanDerWaalsContact O-N 3.1Å; G28-D30 PolarHBondContact O-N 2.79Å |
| 29 | Q | 46.4 | Very low | 67.5 | Low | 183 Ų | 183 | 96.3 Ų | 96.3 | 86% | 0.855 | 53% | 0.528 | S | S | * | . | trans | -19.3 | 106.5 | 164.3 | -161 | 170.5 | -15.5 | 0 | 0 | 110.5 | S27 N31 | S27-Q29 VanDerWaalsContact C-N 3.28Å; S27-Q29 PolarHBondContact O-N 2.9Å; Q29-N31 VanDerWaalsContact C-N 3.29Å; Q29-N31 PolarHBondContact O-N 2.73Å | ||
| 30 | D | 47.8 | Very low | 69 | Low | 105 Ų | 105 | 90.7 Ų | 90.7 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | trans | -52.9 | 92.8 | -174.6 | -131.9 | -23.7 | 0 | 0 | 0 | 107.9 | G28 R32 | G28-D30 PolarHBondContact O-N 2.79Å; D30-R32 HydrophobicContact CB-CG 4.32Å; D30-R32 PolarHBondContact O-N 2.87Å; D30-R32 VanDerWaalsContact OD1-CG 3.3Å; D30-R32 WeakPolarHBondContact OD1-CG 3.2Å; D30-R32 IonicContact OD1-CZ 2.83Å; D30-R32 IonicContact OD1-NE 3.65Å; D30-R32 PolarHBondContact OD1-NE 2.85Å; D30-R32 IonicContact OD1-NH2 3.09Å; D30-R32 IonicContact OD2-CZ 3.16Å; D30-R32 IonicContact OD2-NE 2.84Å; D30-R32 PolarHBondContact OD2-NE 2.99Å; D30-R32 IonicContact OD2-NH2 3.59Å; D30-R32 PolarHBondContact OD2-NH2 3.14Å | ||
| 31 | N | 45.3 | Very low | 70.3 | Confident | 153 Ų | 153 | 92.6 Ų | 92.6 | 82% | 0.818 | 50% | 0.501 | S | S | * | . | trans | -77.6 | 34.6 | 179.3 | -153.2 | 22.1 | 0 | 0 | 0 | 109.5 | Q29 N33 | Q29-N31 VanDerWaalsContact C-N 3.29Å; Q29-N31 PolarHBondContact O-N 2.73Å; N31-N33 PolarHBondContact O-N 2.96Å | ||
| 32 | R | 54.5 | Low | 71.7 | Confident | 171 Ų | 171 | 89.3 Ų | 89.3 | 65% | 0.645 | 49% | 0.486 | S | S | * | . | trans | -56.8 | 137.5 | 168.3 | -64.4 | -176.6 | -168.6 | -177 | 13.9 | 106 | D30 T34 | D30-R32 HydrophobicContact CB-CG 4.32Å; D30-R32 PolarHBondContact O-N 2.87Å; D30-R32 VanDerWaalsContact OD1-CG 3.3Å; D30-R32 WeakPolarHBondContact OD1-CG 3.2Å; D30-R32 IonicContact OD1-CZ 2.83Å; D30-R32 IonicContact OD1-NE 3.65Å; D30-R32 PolarHBondContact OD1-NE 2.85Å; D30-R32 IonicContact OD1-NH2 3.09Å; D30-R32 IonicContact OD2-CZ 3.16Å; D30-R32 IonicContact OD2-NE 2.84Å; D30-R32 PolarHBondContact OD2-NE 2.99Å; D30-R32 IonicContact OD2-NH2 3.59Å; D30-R32 PolarHBondContact OD2-NH2 3.14Å; R32-T34 WeakPolarHBondContact O-CG2 3.37Å; R32-T34 PolarHBondContact O-N 2.82Å | ||
| 33 | N | 65.5 | Low | 73.2 | Confident | 165 Ų | 165 | 86.7 Ų | 86.7 | 88% | 0.882 | 48% | 0.477 | S | S | * | . | trans | -53.3 | 85.5 | 174.7 | -70.5 | -15 | 0 | 0 | 0 | 110.1 | N31 | N31-N33 PolarHBondContact O-N 2.96Š| ||
| 34 | T | 85.3 | Confident | 74.7 | Confident | 35 Ų | 35 | 84.3 Ų | 84.3 | 22% | 0.215 | 47% | 0.471 | C | S | . | . | trans | -83.4 | 129.5 | -179.5 | 40.6 | 0 | 0 | 0 | 0 | 107.8 | R32 L36 K60 Y133 | R32-T34 WeakPolarHBondContact O-CG2 3.37Å; R32-T34 PolarHBondContact O-N 2.82Å; T34-L36 VanDerWaalsContact C-N 3.25Å; T34-L36 WeakPolarHBondContact CB-O 3.38Å; T34-K60 WeakPolarHBondContact O-CD 3.23Å; T34-K60 PolarHBondContact OG1-NZ 3.35Å; T34-Y133 VanDerWaalsContact CA-OH 3.29Å; T34-Y133 WeakPolarHBondContact CA-OH 3.4Å; T34-Y133 VanDerWaalsContact CB-OH 3.32Å; T34-Y133 WeakPolarHBondContact CB-OH 3.03Å; T34-Y133 WeakPolarHBondContact CG2-OH 3.47Å | ||
| 35 | L | 93.3 | Very high | 76.2 | Confident | 28 Ų | 28 | 81.6 Ų | 81.6 | 15% | 0.147 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -70.2 | -30.2 | 177.5 | -61.9 | -179.9 | 0 | 0 | 0 | 111.3 | K60 V61 M65 F128 Y133 | L35-K60 WeakPolarHBondContact O-CB 3.32Å; L35-K60 PolarHBondContact O-N 3.41Å; L35-V61 HydrophobicContact CD2-CG1 3.8Å; L35-M65 HydrophobicContact CB-CE 4.33Å; L35-M65 HydrophobicContact CB-SD 4.19Å; L35-M65 HydrophobicContact CD1-SD 4.38Å; L35-F128 HydrophobicContact CD1-CD1 4.15Å; L35-F128 HydrophobicContact CD1-CE1 3.47Å; L35-F128 VanDerWaalsContact CD1-CE1 3.47Å; L35-F128 HydrophobicContact CD1-CZ 4.15Å; L35-F128 HydrophobicContact CD2-CE1 3.91Å; L35-F128 HydrophobicContact CD2-CE2 4.48Å; L35-F128 HydrophobicContact CD2-CZ 3.71Å; L35-F128 HydrophobicContact CG-CE1 4.35Å; L35-Y133 HydrophobicContact CB-CD1 4.13Å; L35-Y133 HydrophobicContact CB-CD2 4.42Å; L35-Y133 HydrophobicContact CB-CE1 4.01Å; L35-Y133 HydrophobicContact CB-CE2 4.28Å; L35-Y133 HydrophobicContact CB-CG 4.35Å; L35-Y133 HydrophobicContact CD1-CD1 4.28Å; L35-Y133 HydrophobicContact CD1-CD2 3.75Å; L35-Y133 HydrophobicContact CD1-CE2 4.32Å; L35-Y133 HydrophobicContact CD1-CG 3.73Å; L35-Y133 HydrophobicContact CG-CD2 4.02Å; L35-Y133 HydrophobicContact CG-CE2 4.08Å; L35-Y133 HydrophobicContact CG-CG 4.27Å; L35-Y133 PolarHBondContact N-OH 2.82Å |
| 36 | L | 95.2 | Very high | 77.3 | Confident | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.005 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 152.2 | 180 | -60.6 | 175.3 | 0 | 0 | 0 | 110.2 | T34 L38 V57 T58 M65 V67 A112 V114 Y133 | T34-L36 VanDerWaalsContact C-N 3.25Å; T34-L36 WeakPolarHBondContact CB-O 3.38Å; L36-L38 HydrophobicContact CB-CD1 3.81Å; L36-V57 HydrophobicContact CD1-CG1 4.39Å; L36-V57 HydrophobicContact CD2-CG1 4.12Å; L36-T58 CarbonylContact C-O 3.54Å; L36-T58 VanDerWaalsContact CA-O 3.28Å; L36-T58 WeakPolarHBondContact CA-O 3.14Å; L36-M65 HydrophobicContact CD2-CE 3.48Å; L36-M65 VanDerWaalsContact CD2-CE 3.48Å; L36-M65 HydrophobicContact CD2-SD 4.37Å; L36-M65 HydrophobicContact CG-CE 4.21Å; L36-V67 HydrophobicContact CD1-CG1 3.96Å; L36-V67 HydrophobicContact CD1-CG2 4.27Å; L36-A112 HydrophobicContact CD1-CB 3.95Å; L36-V114 HydrophobicContact CD1-CG2 4.02Å; L36-Y133 HydrophobicContact CB-CE1 4.19Å; L36-Y133 HydrophobicContact CD1-CD1 4.33Å; L36-Y133 HydrophobicContact CD1-CE1 4.37Å; L36-Y133 HydrophobicContact CG-CD1 4.47Å; L36-Y133 HydrophobicContact CG-CE1 4.24Å |
| 37 | S | 96.5 | Very high | 78.2 | Confident | 46 Ų | 46 | 85.1 Ų | 85.1 | 32% | 0.322 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132.5 | 164.3 | -170.7 | 0 | 0 | 0 | 0 | 109.4 | T58 | S37-T58 PolarHBondContact N-O 2.79Å; S37-T58 PolarHBondContact O-N 3.29Å |
| 38 | L | 97.9 | Very high | 79.8 | Confident | 23 Ų | 23 | 83 Ų | 83 | 12% | 0.12 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 134.5 | -177.5 | -78.6 | 56.1 | 0 | 0 | 0 | 109 | L36 L55 T56 V57 A112 E135 V137 | L36-L38 HydrophobicContact CB-CD1 3.81Å; L38-L55 HydrophobicContact CB-CD1 4.15Å; L38-L55 HydrophobicContact CD2-CD1 4.48Å; L38-L55 HydrophobicContact CG-CD1 4.23Å; L38-T56 WeakPolarHBondContact CA-O 3.42Å; L38-V57 HydrophobicContact CD1-CG1 4.46Å; L38-A112 HydrophobicContact CD1-CB 3.94Å; L38-A112 HydrophobicContact CD2-CB 3.8Å; L38-A112 HydrophobicContact CG-CB 4.15Å; L38-E135 HydrophobicContact CD1-CB 3.74Å; L38-E135 HydrophobicContact CD1-CG 3.65Å; L38-E135 HydrophobicContact CD2-CB 3.97Å; L38-E135 HydrophobicContact CD2-CG 4.02Å; L38-E135 WeakPolarHBondContact CD2-O 2.89Å; L38-E135 HydrophobicContact CG-CB 4.5Å; L38-E135 HydrophobicContact CG-CG 4.32Å; L38-V137 HydrophobicContact CB-CB 3.9Å; L38-V137 HydrophobicContact CB-CG1 3.68Å; L38-V137 HydrophobicContact CD2-CG1 4.09Å; L38-V137 HydrophobicContact CG-CG1 4.45Å |
| 39 | N | 97.9 | Very high | 82.1 | Confident | 91 Ų | 91 | 82.5 Ų | 82.5 | 49% | 0.487 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 127.2 | 168.4 | 176.8 | 57 | 0 | 0 | 0 | 108.6 | L55 T56 | N39-L55 WeakPolarHBondContact O-CA 3.44Å; N39-T56 PolarHBondContact N-O 3.1Å; N39-T56 PolarHBondContact O-N 2.8Å |
| 40 | L | 98.1 | Very high | 84.4 | Confident | 12 Ų | 12 | 76.3 Ų | 76.3 | 6% | 0.063 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 103.9 | -178.7 | -175.2 | 66.6 | 0 | 0 | 0 | 109.6 | V53 T54 L55 L108 V137 | L40-V53 HydrophobicContact CD1-CG1 3.44Å; L40-V53 VanDerWaalsContact CD1-CG1 3.44Å; L40-V53 HydrophobicContact CG-CG1 4.48Å; L40-T54 WeakPolarHBondContact CA-O 3.41Å; L40-L55 HydrophobicContact CB-CD1 4.42Å; L40-L55 HydrophobicContact CD1-CB 4.04Å; L40-L55 HydrophobicContact CD1-CD1 4.26Å; L40-L108 HydrophobicContact CD1-CD2 4.36Å; L40-L108 HydrophobicContact CD2-CB 4.46Å; L40-L108 HydrophobicContact CD2-CD2 4.2Å; L40-L108 HydrophobicContact CD2-CG 4.13Å; L40-V137 HydrophobicContact CB-CB 4.42Å; L40-V137 HydrophobicContact CB-CG1 3.6Å; L40-V137 HydrophobicContact CB-CG2 3.96Å; L40-V137 HydrophobicContact CD2-CG1 4.32Å; L40-V137 HydrophobicContact CG-CG1 4.49Å |
| 41 | E | 97.9 | Very high | 86.7 | Confident | 102 Ų | 102 | 72.3 Ų | 72.3 | 48% | 0.477 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 136.5 | 175.8 | -169.2 | -178.2 | 153.9 | 0 | 0 | 109.8 | S43 V53 T54 | E41-S43 PolarHBondContact OE1-OG 2.99Å; E41-V53 WeakPolarHBondContact O-CA 3.49Å; E41-T54 PolarHBondContact N-O 2.82Å; E41-T54 PolarHBondContact O-N 2.77Å |
| 42 | V | 96.5 | Very high | 89.2 | Confident | 34 Ų | 34 | 67.1 Ų | 67.1 | 21% | 0.206 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 116.2 | 176 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | F51 V53 L108 I141 | V42-F51 HydrophobicContact CG1-CB 3.71Å; V42-F51 HydrophobicContact CG1-CD1 3.78Å; V42-F51 HydrophobicContact CG1-CG 3.96Å; V42-V53 HydrophobicContact CG2-CG2 4.43Å; V42-L108 HydrophobicContact CG2-CD2 4.37Å; V42-I141 HydrophobicContact CG1-CD1 3.87Å; V42-I141 HydrophobicContact CG1-CG1 4.01Å; V42-I141 HydrophobicContact CG1-CG2 4.48Å; V42-I141 HydrophobicContact CG2-CD1 4.29Å; V42-I141 HydrophobicContact CG2-CG1 4.32Å |
| 43 | S | 95.4 | Very high | 91.2 | Very high | 52 Ų | 52 | 59 Ų | 59 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 135.2 | -174.6 | -71.5 | 0 | 0 | 0 | 0 | 109.9 | E41 F51 T52 | E41-S43 PolarHBondContact OE1-OG 2.99Å; S43-F51 CarbonylContact O-C 3.48Å; S43-F51 VanDerWaalsContact O-CA 3.23Å; S43-F51 WeakPolarHBondContact O-CA 3.48Å; S43-T52 PolarHBondContact N-O 3Å; S43-T52 PolarHBondContact O-N 2.95Å |
| 44 | S | 93.3 | Very high | 92.8 | Very high | 80 Ų | 80 | 52.3 Ų | 52.3 | 56% | 0.559 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 133.8 | 179.7 | 173.2 | 0 | 0 | 0 | 0 | 111 | N46 | S44-N46 PolarHBondContact OG-O 2.95Å |
| 45 | I | 87.1 | Confident | 93.4 | Very high | 79 Ų | 79 | 50.6 Ų | 50.6 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -83 | -38.9 | 175.9 | -56.1 | 174.9 | 0 | 0 | 0 | 110.2 | E50 T52 D99 | I45-E50 HydrophobicContact CB-CB 4.37Å; I45-E50 HydrophobicContact CD1-CB 4.39Å; I45-E50 PolarHBondContact N-O 3.21Å; I45-T52 VanDerWaalsContact CD1-OG1 3.26Å; I45-T52 WeakPolarHBondContact CD1-OG1 3.46Å; I45-T52 WeakPolarHBondContact CG1-OG1 3.45Å; I45-D99 HydrophobicContact CD1-CB 4.14Å |
| 46 | N | 80 | Confident | 93.6 | Very high | 64 Ų | 64 | 50.5 Ų | 50.5 | 34% | 0.342 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -160.9 | -176.3 | -177.5 | 61.8 | 26.4 | 0 | 0 | 0 | 111.2 | S44 A48 E50 | S44-N46 PolarHBondContact OG-O 2.95Å; N46-A48 PolarHBondContact O-N 2.72Å; N46-A48 VanDerWaalsContact O-N 3.16Å; N46-A48 WeakPolarHBondContact OD1-CA 3.48Å; N46-A48 VanDerWaalsContact OD1-CB 3.23Å; N46-A48 WeakPolarHBondContact OD1-CB 3.32Å; N46-A48 PolarHBondContact OD1-N 2.9Å; N46-E50 PolarHBondContact ND2-OE2 2.9Å |
| 47 | K | 72.3 | Confident | 93.8 | Very high | 218 Ų | 218 | 50.4 Ų | 50.4 | 95% | 0.948 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -74.1 | 9.2 | 176.9 | -65.1 | -165 | 179.4 | -171.3 | 0 | 115.2 | ||
| 48 | A | 83.8 | Confident | 93.9 | Very high | 49 Ų | 49 | 50 Ų | 50 | 41% | 0.405 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -102.3 | 28.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N46 E50 H101 | N46-A48 PolarHBondContact O-N 2.72Å; N46-A48 VanDerWaalsContact O-N 3.16Å; N46-A48 WeakPolarHBondContact OD1-CA 3.48Å; N46-A48 VanDerWaalsContact OD1-CB 3.23Å; N46-A48 WeakPolarHBondContact OD1-CB 3.32Å; N46-A48 PolarHBondContact OD1-N 2.9Å; A48-E50 HydrophobicContact CB-CG 4.49Å; A48-E50 PolarHBondContact O-N 2.89Å; A48-E50 VanDerWaalsContact O-N 3.16Å; A48-H101 PolarHBondContact O-ND1 2.98Å |
| 49 | N | 93.5 | Very high | 93.8 | Very high | 42 Ų | 42 | 49.7 Ų | 49.7 | 23% | 0.225 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 54.7 | 29.5 | -174.5 | -60.5 | -34.1 | 0 | 0 | 0 | 113.5 | F51 H101 V102 V143 | N49-F51 HydrophobicContact CB-CE2 4.37Å; N49-F51 WeakPolarHBondContact O-CD2 3.26Å; N49-F51 WeakPolarHBondContact O-CE2 3.4Å; N49-H101 WeakPolarHBondContact O-CA 3.02Å; N49-V102 VanDerWaalsContact CB-O 3.26Å; N49-V102 WeakPolarHBondContact CB-O 3.46Å; N49-V102 PolarHBondContact O-N 3.45Å; N49-V143 HydrophobicContact CB-CG1 4.06Å; N49-V143 WeakPolarHBondContact OD1-CB 3.1Å |
| 50 | E | 95.7 | Very high | 93.6 | Very high | 52 Ų | 52 | 50.5 Ų | 50.5 | 24% | 0.243 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 135.2 | 172 | -66.1 | 177.1 | 164.7 | 0 | 0 | 109.8 | I45 N46 A48 L80 I100 | I45-E50 HydrophobicContact CB-CB 4.37Å; I45-E50 HydrophobicContact CD1-CB 4.39Å; I45-E50 PolarHBondContact N-O 3.21Å; N46-E50 PolarHBondContact ND2-OE2 2.9Å; A48-E50 HydrophobicContact CB-CG 4.49Å; A48-E50 PolarHBondContact O-N 2.89Å; A48-E50 VanDerWaalsContact O-N 3.16Å; E50-L80 HydrophobicContact CB-CD1 4.35Å; E50-L80 HydrophobicContact CG-CD1 4.11Å; E50-I100 CarbonylContact C-O 3.56Å; E50-I100 VanDerWaalsContact CA-O 3.3Å; E50-I100 WeakPolarHBondContact CA-O 3.49Å |
| 51 | F | 96.1 | Very high | 93.4 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 10% | 0.096 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 140.8 | -175 | -57.5 | -95.6 | 0 | 0 | 0 | 110.3 | V42 S43 N49 D99 I100 V102 I141 V143 | V42-F51 HydrophobicContact CG1-CB 3.71Å; V42-F51 HydrophobicContact CG1-CD1 3.78Å; V42-F51 HydrophobicContact CG1-CG 3.96Å; S43-F51 CarbonylContact O-C 3.48Å; S43-F51 VanDerWaalsContact O-CA 3.23Å; S43-F51 WeakPolarHBondContact O-CA 3.48Å; N49-F51 HydrophobicContact CB-CE2 4.37Å; N49-F51 WeakPolarHBondContact O-CD2 3.26Å; N49-F51 WeakPolarHBondContact O-CE2 3.4Å; F51-D99 WeakPolarHBondContact O-CA 3.48Å; F51-I100 HydrophobicContact CB-CD1 4.49Å; F51-I100 HydrophobicContact CB-CG1 4.01Å; F51-I100 PolarHBondContact N-O 2.8Å; F51-I100 WeakPolarHBondContact O-CG1 3.38Å; F51-I100 PolarHBondContact O-N 2.83Å; F51-V102 HydrophobicContact CD2-CB 4.2Å; F51-V102 HydrophobicContact CD2-CG2 3.75Å; F51-V102 HydrophobicContact CE2-CB 3.98Å; F51-V102 HydrophobicContact CE2-CG2 4.01Å; F51-I141 HydrophobicContact CD1-CG2 4.11Å; F51-I141 HydrophobicContact CD2-CG2 3.94Å; F51-I141 HydrophobicContact CE1-CG2 3.78Å; F51-I141 HydrophobicContact CE2-CG2 3.61Å; F51-I141 HydrophobicContact CG-CG2 4.18Å; F51-I141 HydrophobicContact CZ-CG2 3.52Å; F51-V143 HydrophobicContact CE2-CG1 4.42Å |
| 52 | T | 96.5 | Very high | 93.2 | Very high | 44 Ų | 44 | 54.1 Ų | 54.1 | 27% | 0.27 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 128.7 | 163.8 | -64.3 | 0 | 0 | 0 | 0 | 108.2 | S43 I45 D99 | S43-T52 PolarHBondContact N-O 3Å; S43-T52 PolarHBondContact O-N 2.95Å; I45-T52 VanDerWaalsContact CD1-OG1 3.26Å; I45-T52 WeakPolarHBondContact CD1-OG1 3.46Å; I45-T52 WeakPolarHBondContact CG1-OG1 3.45Å; T52-D99 WeakPolarHBondContact CB-OD1 3.23Å; T52-D99 PolarHBondContact OG1-OD1 2.83Å |
| 53 | V | 97.5 | Very high | 93 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 130.4 | 176.4 | 179.1 | 0 | 0 | 0 | 0 | 108.2 | L40 E41 V42 F97 W98 I100 L108 | L40-V53 HydrophobicContact CD1-CG1 3.44Å; L40-V53 VanDerWaalsContact CD1-CG1 3.44Å; L40-V53 HydrophobicContact CG-CG1 4.48Å; E41-V53 WeakPolarHBondContact O-CA 3.49Å; V42-V53 HydrophobicContact CG2-CG2 4.43Å; V53-F97 VanDerWaalsContact O-CA 3.25Å; V53-F97 WeakPolarHBondContact O-CA 3.38Å; V53-W98 HydrophobicContact CB-CB 4.42Å; V53-W98 HydrophobicContact CB-CE3 4.34Å; V53-W98 WeakPolarHBondContact CB-O 3.28Å; V53-W98 HydrophobicContact CG1-CE3 4.01Å; V53-W98 PolarHBondContact N-O 2.03Å; V53-W98 PolarHBondContact O-N 3.16Å; V53-W98 VanDerWaalsContact O-N 3.11Å; V53-I100 HydrophobicContact CG2-CD1 3.55Å; V53-I100 HydrophobicContact CG2-CG1 3.88Å; V53-I100 HydrophobicContact CG2-CG2 4.47Å; V53-L108 HydrophobicContact CB-CD2 4.14Å; V53-L108 HydrophobicContact CG1-CD2 3.52Å; V53-L108 HydrophobicContact CG2-CD2 3.46Å; V53-L108 VanDerWaalsContact CG2-CD2 3.46Å |
| 54 | T | 98.2 | Very high | 93 | Very high | 23 Ų | 23 | 53.3 Ų | 53.3 | 14% | 0.141 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 116.5 | 169.4 | -56.1 | 0 | 0 | 0 | 0 | 109.3 | L40 E41 N95 F96 F97 | L40-T54 WeakPolarHBondContact CA-O 3.41Å; E41-T54 PolarHBondContact N-O 2.82Å; E41-T54 PolarHBondContact O-N 2.77Å; T54-N95 HydrophobicContact CG2-CB 4.2Å; T54-F96 CarbonylContact C-O 3.59Å; T54-F96 WeakPolarHBondContact CA-O 3.28Å; T54-F97 HydrophobicContact CG2-CD1 3.95Å; T54-F97 HydrophobicContact CG2-CE1 3.44Å; T54-F97 VanDerWaalsContact CG2-CE1 3.44Å; T54-F97 HydrophobicContact CG2-CZ 4.1Å; T54-F97 WeakPolarHBondContact OG1-CD1 3.4Å; T54-F97 VanDerWaalsContact OG1-CE1 3.27Å; T54-F97 WeakPolarHBondContact OG1-CE1 3.49Å |
| 55 | L | 98.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 109.7 | 168.2 | 178.9 | 57.2 | 0 | 0 | 0 | 109.2 | L38 N39 L40 V57 I69 N95 F96 W98 V137 | L38-L55 HydrophobicContact CB-CD1 4.15Å; L38-L55 HydrophobicContact CD2-CD1 4.48Å; L38-L55 HydrophobicContact CG-CD1 4.23Å; N39-L55 WeakPolarHBondContact O-CA 3.44Å; L40-L55 HydrophobicContact CB-CD1 4.42Å; L40-L55 HydrophobicContact CD1-CB 4.04Å; L40-L55 HydrophobicContact CD1-CD1 4.26Å; L55-V57 HydrophobicContact CG-CG2 4.13Å; L55-I69 HydrophobicContact CD2-CG2 3.54Å; L55-I69 HydrophobicContact CG-CG2 4.48Å; L55-N95 WeakPolarHBondContact O-CA 3.29Å; L55-F96 PolarHBondContact N-O 3.48Å; L55-F96 PolarHBondContact O-N 2.88Å; L55-W98 HydrophobicContact CB-CH2 4.28Å; L55-W98 HydrophobicContact CB-CZ3 3.76Å; L55-W98 HydrophobicContact CD2-CH2 4.25Å; L55-W98 HydrophobicContact CD2-CZ3 4.45Å; L55-V137 HydrophobicContact CD1-CG1 3.64Å |
| 56 | T | 98.6 | Very high | 93.6 | Very high | 25 Ų | 25 | 46.1 Ų | 46.1 | 15% | 0.153 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 123.8 | 171.8 | -56.3 | 0 | 0 | 0 | 0 | 109.3 | L38 N39 I93 N95 | L38-T56 WeakPolarHBondContact CA-O 3.42Å; N39-T56 PolarHBondContact N-O 3.1Å; N39-T56 PolarHBondContact O-N 2.8Å; T56-I93 HydrophobicContact CG2-CG2 3.54Å; T56-N95 WeakPolarHBondContact CA-OD1 3.41Å; T56-N95 VanDerWaalsContact CB-OD1 3.32Å; T56-N95 WeakPolarHBondContact CB-OD1 3.23Å; T56-N95 WeakPolarHBondContact CG2-OD1 3.47Å; T56-N95 PolarHBondContact OG1-OD1 2.71Å |
| 57 | V | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118.1 | 175.8 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | L36 L38 L55 I69 I90 I93 H94 F96 A112 | L36-V57 HydrophobicContact CD1-CG1 4.39Å; L36-V57 HydrophobicContact CD2-CG1 4.12Å; L38-V57 HydrophobicContact CD1-CG1 4.46Å; L55-V57 HydrophobicContact CG-CG2 4.13Å; V57-I69 HydrophobicContact CG2-CD1 3.76Å; V57-I69 HydrophobicContact CG2-CG1 4.46Å; V57-I90 HydrophobicContact CG1-CG2 4.37Å; V57-I93 WeakPolarHBondContact O-CA 3.43Å; V57-H94 PolarHBondContact N-O 3.4Å; V57-H94 PolarHBondContact O-N 3.41Å; V57-F96 HydrophobicContact CB-CE2 4.23Å; V57-F96 HydrophobicContact CG2-CD2 3.98Å; V57-F96 HydrophobicContact CG2-CE2 3.88Å; V57-A112 HydrophobicContact CG1-CB 4.43Å; V57-A112 HydrophobicContact CG2-CB 4.45Å |
| 58 | T | 98 | Very high | 95.6 | Very high | 38 Ų | 38 | 36.6 Ų | 36.6 | 23% | 0.233 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 122.5 | 178.3 | -58.3 | 0 | 0 | 0 | 0 | 110 | L36 S37 T92 I93 | L36-T58 CarbonylContact C-O 3.54Å; L36-T58 VanDerWaalsContact CA-O 3.28Å; L36-T58 WeakPolarHBondContact CA-O 3.14Å; S37-T58 PolarHBondContact N-O 2.79Å; S37-T58 PolarHBondContact O-N 3.29Å; T58-T92 CarbonylContact C-O 3.6Å; T58-T92 WeakPolarHBondContact CA-O 3.44Å; T58-I93 HydrophobicContact CG2-CD1 4.25Å; T58-I93 HydrophobicContact CG2-CG1 3.85Å |
| 59 | N | 96.1 | Very high | 96.3 | Very high | 15 Ų | 15 | 34.3 Ų | 34.3 | 8% | 0.08 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 127.5 | 168 | -176.1 | 13.4 | 0 | 0 | 0 | 110.2 | V61 K63 M65 I90 C91 T92 | N59-V61 PolarHBondContact ND2-O 3.37Å; N59-V61 WeakPolarHBondContact OD1-CG2 3.27Å; N59-V61 PolarHBondContact OD1-N 3.47Å; N59-V61 PolarHBondContact OD1-O 3.05Å; N59-K63 PolarHBondContact ND2-O 3.31Å; N59-M65 HydrophobicContact CB-CE 4.38Å; N59-M65 WeakPolarHBondContact OD1-CE 3.25Å; N59-I90 HydrophobicContact CB-CG2 4.13Å; N59-I90 PolarHBondContact ND2-O 3.25Å; N59-C91 PolarHBondContact ND2-O 3.12Å; N59-T92 WeakPolarHBondContact CB-O 3.17Å; N59-T92 PolarHBondContact N-O 3.47Å |
| 60 | K | 95.1 | Very high | 96.6 | Very high | 108 Ų | 108 | 32.9 Ų | 32.9 | 47% | 0.47 | 17% | 0.169 | S | C | . | . | trans | -100.7 | -0.1 | 177.7 | -72.5 | 176.8 | 159.7 | 163.3 | 0 | 113.6 | T34 L35 | T34-K60 WeakPolarHBondContact O-CD 3.23Å; T34-K60 PolarHBondContact OG1-NZ 3.35Å; L35-K60 WeakPolarHBondContact O-CB 3.32Å; L35-K60 PolarHBondContact O-N 3.41Å | ||
| 61 | V | 93 | Very high | 96.7 | Very high | 37 Ų | 37 | 30.7 Ų | 30.7 | 22% | 0.224 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -114 | 162.4 | 178.1 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | L35 N59 K63 M65 F128 | L35-V61 HydrophobicContact CD2-CG1 3.8Å; N59-V61 PolarHBondContact ND2-O 3.37Å; N59-V61 WeakPolarHBondContact OD1-CG2 3.27Å; N59-V61 PolarHBondContact OD1-N 3.47Å; N59-V61 PolarHBondContact OD1-O 3.05Å; V61-K63 PolarHBondContact O-N 3.5Å; V61-M65 HydrophobicContact CG2-CE 3.65Å; V61-M65 HydrophobicContact CG2-SD 4.47Å; V61-F128 HydrophobicContact CG1-CE2 4.4Å; V61-F128 HydrophobicContact CG2-CD2 3.97Å; V61-F128 HydrophobicContact CG2-CE2 4.33Å; V61-F128 HydrophobicContact CG2-CG 4.37Å |
| 62 | D | 92.6 | Very high | 96.7 | Very high | 154 Ų | 154 | 34.8 Ų | 34.8 | 82% | 0.824 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -80.5 | 1.1 | -177.2 | 64.8 | -20.8 | 0 | 0 | 0 | 114.2 | ||
| 63 | K | 94.3 | Very high | 96.7 | Very high | 62 Ų | 62 | 38.9 Ų | 38.9 | 27% | 0.27 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -115.3 | 143.4 | 178.2 | -66.1 | -172.8 | -173.8 | -166.1 | 0 | 110.6 | N59 V61 N126 F128 | N59-K63 PolarHBondContact ND2-O 3.31Å; V61-K63 PolarHBondContact O-N 3.5Å; K63-N126 WeakPolarHBondContact CA-O 3.43Å; K63-N126 VanDerWaalsContact CB-O 3.29Å; K63-N126 WeakPolarHBondContact CB-O 3.3Å; K63-N126 WeakPolarHBondContact CE-ND2 3.34Å; K63-N126 HydrophobicContact CG-CB 4.46Å; K63-F128 HydrophobicContact CB-CB 3.94Å; K63-F128 HydrophobicContact CB-CD2 4.13Å; K63-F128 HydrophobicContact CD-CD2 4.22Å |
| 64 | C | 95.4 | Very high | 96.6 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -70.7 | 150.7 | 177.1 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | I90 C91 E125 N126 I127 F128 | C64-I90 WeakPolarHBondContact CA-O 3.45Å; C64-C91 HydrophobicContact CB-CB 4.1Å; C64-C91 WeakPolarHBondContact CB-SG 3.45Å; C64-C91 WeakPolarHBondContact SG-CB 3.44Å; C64-C91 CovalentContact SG-SG 2.04Å; C64-C91 PolarHBondContact SG-SG 3.44Å; C64-E125 PolarHBondContact SG-OE2 3.37Å; C64-N126 PolarHBondContact N-O 3.31Å; C64-N126 VanDerWaalsContact N-O 3.14Å; C64-I127 HydrophobicContact CB-CD1 4.14Å; C64-I127 CarbonylContact O-C 3.59Å; C64-I127 WeakPolarHBondContact O-CA 3.34Å; C64-F128 PolarHBondContact O-N 3.02Å |
| 65 | M | 95.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 141.1 | 174.6 | -79.3 | 173.9 | -73.8 | 0 | 0 | 110.1 | L35 L36 N59 V61 V67 C89 I90 V114 F128 | L35-M65 HydrophobicContact CB-CE 4.33Å; L35-M65 HydrophobicContact CB-SD 4.19Å; L35-M65 HydrophobicContact CD1-SD 4.38Å; L36-M65 HydrophobicContact CD2-CE 3.48Å; L36-M65 VanDerWaalsContact CD2-CE 3.48Å; L36-M65 HydrophobicContact CD2-SD 4.37Å; L36-M65 HydrophobicContact CG-CE 4.21Å; N59-M65 HydrophobicContact CB-CE 4.38Å; N59-M65 WeakPolarHBondContact OD1-CE 3.25Å; V61-M65 HydrophobicContact CG2-CE 3.65Å; V61-M65 HydrophobicContact CG2-SD 4.47Å; M65-V67 HydrophobicContact CB-CG2 3.75Å; M65-C89 CarbonylContact O-C 3.59Å; M65-I90 PolarHBondContact N-O 3.41Å; M65-I90 PolarHBondContact O-N 3.46Å; M65-V114 HydrophobicContact CB-CG1 4.05Å; M65-V114 HydrophobicContact CB-CG2 4.45Å; M65-V114 HydrophobicContact CG-CG1 4.02Å; M65-V114 HydrophobicContact CG-CG2 4.42Å; M65-V114 HydrophobicContact SD-CG1 4.25Å; M65-V114 HydrophobicContact SD-CG2 3.71Å; M65-F128 HydrophobicContact CG-CB 3.53Å; M65-F128 HydrophobicContact CG-CD1 4.3Å; M65-F128 HydrophobicContact CG-CG 4.2Å; M65-F128 HydrophobicContact SD-CB 4.33Å; M65-F128 HydrophobicContact SD-CD1 4.13Å; M65-F128 HydrophobicContact SD-CG 4.39Å |
| 66 | V | 96.5 | Very high | 96.5 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 5% | 0.048 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 118.1 | 166 | -175.2 | 0 | 0 | 0 | 0 | 107.5 | T87 V114 V115 D117 I120 C121 | V66-T87 HydrophobicContact CG1-CG2 3.73Å; V66-V114 CarbonylContact O-C 3.57Å; V66-V114 WeakPolarHBondContact O-CA 3.44Å; V66-V115 HydrophobicContact CB-CG2 4.35Å; V66-V115 HydrophobicContact CG1-CG2 3.77Å; V66-V115 PolarHBondContact O-N 2.84Å; V66-D117 HydrophobicContact CG1-CB 4.06Å; V66-I120 HydrophobicContact CG1-CB 3.73Å; V66-I120 HydrophobicContact CG1-CG1 3.78Å; V66-I120 HydrophobicContact CG1-CG2 3.83Å; V66-I120 HydrophobicContact CG2-CB 4.11Å; V66-C121 VanDerWaalsContact CG2-SG 3.58Å |
| 67 | V | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 127 | -171.6 | -164.6 | 0 | 0 | 0 | 0 | 110.2 | L36 M65 I69 T87 A88 I90 A112 E113 V114 | L36-V67 HydrophobicContact CD1-CG1 3.96Å; L36-V67 HydrophobicContact CD1-CG2 4.27Å; M65-V67 HydrophobicContact CB-CG2 3.75Å; V67-I69 HydrophobicContact CB-CD1 4.1Å; V67-I69 HydrophobicContact CG1-CD1 3.42Å; V67-I69 VanDerWaalsContact CG1-CD1 3.42Å; V67-T87 WeakPolarHBondContact O-CA 3.49Å; V67-A88 PolarHBondContact N-O 3.4Å; V67-A88 PolarHBondContact O-N 3.1Å; V67-I90 HydrophobicContact CB-CG1 3.75Å; V67-I90 HydrophobicContact CG2-CB 4.05Å; V67-I90 HydrophobicContact CG2-CG1 3.5Å; V67-A112 HydrophobicContact CG1-CB 3.84Å; V67-E113 CarbonylContact C-O 3.58Å; V67-E113 WeakPolarHBondContact CA-O 3.4Å; V67-E113 WeakPolarHBondContact CG1-O 3.32Å; V67-V114 HydrophobicContact CG2-CG2 4.39Å |
| 68 | K | 97.8 | Very high | 96.4 | Very high | 82 Ų | 82 | 54.6 Ų | 54.6 | 36% | 0.357 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 118.7 | 170.5 | -173.7 | 176.3 | -178.4 | 176.4 | 0 | 109.8 | T85 Y86 E113 V115 | K68-T85 HydrophobicContact CD-CG2 4.24Å; K68-T85 VanDerWaalsContact CE-CG2 3.41Å; K68-T85 HydrophobicContact CG-CG2 3.79Å; K68-Y86 CarbonylContact C-O 3.47Å; K68-Y86 VanDerWaalsContact CA-O 3.29Å; K68-Y86 WeakPolarHBondContact CA-O 3.32Å; K68-E113 HydrophobicContact CB-CB 4.48Å; K68-E113 PolarHBondContact N-O 3.4Å; K68-E113 PolarHBondContact O-N 2.91Å; K68-V115 HydrophobicContact CB-CG1 3.81Å; K68-V115 HydrophobicContact CB-CG2 4.31Å; K68-V115 HydrophobicContact CD-CG1 4.46Å |
| 69 | I | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 126.5 | -176.7 | -50.2 | -54.6 | 0 | 0 | 0 | 109.7 | L55 V57 V67 T85 Y86 F96 W98 K111 A112 | L55-I69 HydrophobicContact CD2-CG2 3.54Å; L55-I69 HydrophobicContact CG-CG2 4.48Å; V57-I69 HydrophobicContact CG2-CD1 3.76Å; V57-I69 HydrophobicContact CG2-CG1 4.46Å; V67-I69 HydrophobicContact CB-CD1 4.1Å; V67-I69 HydrophobicContact CG1-CD1 3.42Å; V67-I69 VanDerWaalsContact CG1-CD1 3.42Å; I69-T85 WeakPolarHBondContact O-CA 3.34Å; I69-Y86 PolarHBondContact N-O 3.43Å; I69-Y86 PolarHBondContact O-N 3.49Å; I69-F96 HydrophobicContact CB-CD1 4.32Å; I69-F96 HydrophobicContact CB-CD2 4.34Å; I69-F96 HydrophobicContact CB-CE1 4.46Å; I69-F96 HydrophobicContact CB-CG 4.25Å; I69-F96 HydrophobicContact CD1-CE2 4.31Å; I69-F96 HydrophobicContact CG1-CD1 4.29Å; I69-F96 HydrophobicContact CG1-CD2 3.92Å; I69-F96 HydrophobicContact CG1-CE1 4Å; I69-F96 HydrophobicContact CG1-CE2 3.64Å; I69-F96 HydrophobicContact CG1-CG 4.25Å; I69-F96 HydrophobicContact CG1-CZ 3.68Å; I69-F96 HydrophobicContact CG2-CB 4.13Å; I69-F96 HydrophobicContact CG2-CD1 4.4Å; I69-F96 HydrophobicContact CG2-CD2 3.93Å; I69-F96 HydrophobicContact CG2-CG 3.87Å; I69-W98 HydrophobicContact CG2-CH2 3.83Å; I69-W98 HydrophobicContact CG2-CZ2 4.42Å; I69-K111 WeakPolarHBondContact CA-O 3.46Å; I69-A112 HydrophobicContact CD1-CB 3.58Å |
| 70 | S | 98.1 | Very high | 96.3 | Very high | 13 Ų | 13 | 58 Ų | 58 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 168.3 | -177.5 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | K111 | S70-K111 PolarHBondContact N-O 3.44Å; S70-K111 PolarHBondContact O-N 3.19Å; S70-K111 VanDerWaalsContact OG-CE 3.23Å; S70-K111 WeakPolarHBondContact OG-CE 3.48Å |
| 71 | T | 97.8 | Very high | 96.1 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 145.2 | 170.8 | 49.9 | 0 | 0 | 0 | 0 | 110 | Y79 K83 W98 L108 Q109 | T71-Y79 WeakPolarHBondContact CB-OH 3.42Å; T71-Y79 PolarHBondContact OG1-OH 3.38Å; T71-K83 WeakPolarHBondContact O-CE 3.31Å; T71-K83 PolarHBondContact O-NZ 3.25Å; T71-K83 VanDerWaalsContact OG1-CE 3.31Å; T71-K83 WeakPolarHBondContact OG1-CE 3.25Å; T71-W98 HydrophobicContact CG2-CD2 4.18Å; T71-W98 HydrophobicContact CG2-CE3 4.22Å; T71-W98 HydrophobicContact CG2-CH2 4.17Å; T71-W98 HydrophobicContact CG2-CZ2 4.1Å; T71-W98 HydrophobicContact CG2-CZ3 4.23Å; T71-L108 HydrophobicContact CG2-CD1 4.11Å; T71-Q109 CarbonylContact C-O 3.51Å; T71-Q109 VanDerWaalsContact CA-O 3.25Å; T71-Q109 WeakPolarHBondContact CA-O 3.25Å |
| 72 | E | 96.5 | Very high | 96 | Very high | 107 Ų | 107 | 59.3 Ų | 59.3 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | trans | -68.4 | 150.6 | 175.4 | -164.2 | 169.4 | -163.2 | 0 | 0 | 111 | Q109 | E72-Q109 HydrophobicContact CB-CB 3.91Å; E72-Q109 PolarHBondContact N-O 3.05Å; E72-Q109 PolarHBondContact OE2-NE2 2.64Å; E72-Q109 PolarHBondContact OE2-OE1 3.46Å; E72-Q109 VanDerWaalsContact OE2-OE1 3.14Å | ||
| 73 | D | 96 | Very high | 96 | Very high | 131 Ų | 131 | 55.6 Ų | 55.6 | 70% | 0.701 | 30% | 0.3 | S | S | * | . | trans | -67.2 | 134.9 | 174.3 | -74 | -44.4 | 0 | 0 | 0 | 111 | K83 | D73-K83 IonicContact OD1-NZ 2.61Å; D73-K83 PolarHBondContact OD1-NZ 3.08Å; D73-K83 IonicContact OD2-NZ 3.9Å | ||
| 74 | N | 97 | Very high | 96 | Very high | 36 Ų | 36 | 54 Ų | 54 | 19% | 0.193 | 30% | 0.298 | C | S | . | . | trans | -143.3 | 121 | 176.1 | -169.8 | -55.6 | 0 | 0 | 0 | 109.2 | N76 I77 T106 V107 | N74-N76 PolarHBondContact O-N 3.44Å; N74-N76 VanDerWaalsContact O-N 3.13Å; N74-N76 WeakPolarHBondContact OD1-CB 3.42Å; N74-N76 PolarHBondContact OD1-N 3.35Å; N74-I77 HydrophobicContact CB-CB 4.19Å; N74-I77 HydrophobicContact CB-CD1 3.85Å; N74-I77 HydrophobicContact CB-CG1 3.9Å; N74-I77 PolarHBondContact O-N 2.98Å; N74-T106 VanDerWaalsContact CG-OG1 3.27Å; N74-T106 PolarHBondContact ND2-OG1 2.95Å; N74-T106 PolarHBondContact OD1-OG1 3.03Å; N74-V107 PolarHBondContact ND2-O 3.39Å | ||
| 75 | P | 97.2 | Very high | 96.1 | Very high | 123 Ų | 123 | 57.3 Ų | 57.3 | 80% | 0.799 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -19 | -175.4 | 26.4 | -35.1 | 0 | 0 | 0 | 113.7 | I77 | P75-I77 VanDerWaalsContact C-N 3.33Š|
| 76 | N | 97.6 | Very high | 96.2 | Very high | 54 Ų | 54 | 61.2 Ų | 61.2 | 29% | 0.289 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -1.4 | 177.2 | -60.8 | -46.1 | 0 | 0 | 0 | 113.2 | N74 V102 S103 A104 T106 | N74-N76 PolarHBondContact O-N 3.44Å; N74-N76 VanDerWaalsContact O-N 3.13Å; N74-N76 WeakPolarHBondContact OD1-CB 3.42Å; N74-N76 PolarHBondContact OD1-N 3.35Å; N76-V102 CarbonylContact O-C 3.59Å; N76-V102 VanDerWaalsContact O-CA 3.32Å; N76-V102 WeakPolarHBondContact O-CA 2.97Å; N76-S103 WeakPolarHBondContact CA-OG 3.37Å; N76-S103 PolarHBondContact O-N 2.99Å; N76-S103 PolarHBondContact O-OG 2.86Å; N76-A104 HydrophobicContact CB-CB 4.49Å; N76-T106 HydrophobicContact CB-CG2 4.29Å |
| 77 | I | 97.6 | Very high | 96.2 | Very high | 14 Ų | 14 | 63.4 Ų | 63.4 | 7% | 0.072 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 123.6 | -176.2 | -57.7 | -176.2 | 0 | 0 | 0 | 109.2 | N74 P75 Y79 I100 V102 T106 L108 | N74-I77 HydrophobicContact CB-CB 4.19Å; N74-I77 HydrophobicContact CB-CD1 3.85Å; N74-I77 HydrophobicContact CB-CG1 3.9Å; N74-I77 PolarHBondContact O-N 2.98Å; P75-I77 VanDerWaalsContact C-N 3.33Å; I77-Y79 HydrophobicContact CG2-CE2 4.16Å; I77-I100 HydrophobicContact CD1-CD1 4.48Å; I77-I100 HydrophobicContact CG2-CB 3.81Å; I77-I100 HydrophobicContact CG2-CD1 3.89Å; I77-I100 HydrophobicContact CG2-CG1 4.42Å; I77-I100 HydrophobicContact CG2-CG2 3.8Å; I77-V102 HydrophobicContact CG1-CG2 4.35Å; I77-T106 HydrophobicContact CD1-CG2 3.94Å; I77-T106 HydrophobicContact CG1-CG2 3.85Å; I77-L108 HydrophobicContact CD1-CB 4.03Å; I77-L108 HydrophobicContact CD1-CD1 3.78Å; I77-L108 HydrophobicContact CD1-CG 4.48Å |
| 78 | K | 96.8 | Very high | 96.2 | Very high | 152 Ų | 152 | 64.3 Ų | 64.3 | 66% | 0.661 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 132.2 | 169.2 | -67.7 | -176.7 | 180 | 179 | 0 | 109.2 | I100 H101 | K78-I100 CarbonylContact O-C 3.6Å; K78-I100 VanDerWaalsContact O-CA 3.26Å; K78-I100 WeakPolarHBondContact O-CA 3.11Å; K78-H101 PolarHBondContact N-O 2.04Å; K78-H101 PolarHBondContact O-N 2.89Å |
| 79 | Y | 96.9 | Very high | 96.2 | Very high | 44 Ų | 44 | 61.3 Ų | 61.3 | 17% | 0.173 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 128.8 | 173.9 | -67.2 | -98 | 0 | 0 | 0 | 108.5 | T71 I77 S81 K83 W98 I100 | T71-Y79 WeakPolarHBondContact CB-OH 3.42Å; T71-Y79 PolarHBondContact OG1-OH 3.38Å; I77-Y79 HydrophobicContact CG2-CE2 4.16Å; Y79-S81 CarbonylContact C-O 3.48Å; Y79-S81 WeakPolarHBondContact CB-O 3.22Å; Y79-S81 PolarHBondContact O-N 3.47Å; Y79-K83 HydrophobicContact CD1-CB 4.3Å; Y79-K83 HydrophobicContact CD1-CG 4.28Å; Y79-K83 HydrophobicContact CD2-CB 3.7Å; Y79-K83 HydrophobicContact CD2-CD 4.15Å; Y79-K83 HydrophobicContact CD2-CG 3.74Å; Y79-K83 HydrophobicContact CE1-CG 4.13Å; Y79-K83 HydrophobicContact CE2-CB 4.12Å; Y79-K83 HydrophobicContact CE2-CD 3.76Å; Y79-K83 HydrophobicContact CE2-CG 3.6Å; Y79-K83 HydrophobicContact CG-CB 3.85Å; Y79-K83 HydrophobicContact CG-CG 4.13Å; Y79-W98 HydrophobicContact CD1-CB 3.89Å; Y79-W98 AromaticContact CD1-CD1 3.59Å; Y79-W98 AromaticContact CD1-CG 3.98Å; Y79-W98 HydrophobicContact CD1-CG 3.98Å; Y79-W98 HydrophobicContact CE1-CB 3.77Å; Y79-W98 AromaticContact CE1-CD1 3.44Å; Y79-W98 VanDerWaalsContact CE1-CD1 3.44Å; Y79-W98 AromaticContact CE1-CG 3.64Å; Y79-W98 HydrophobicContact CE1-CG 3.64Å; Y79-I100 HydrophobicContact CD1-CG2 3.67Å; Y79-I100 HydrophobicContact CE1-CG2 3.67Å; Y79-I100 HydrophobicContact CG-CG2 4.17Å |
| 80 | L | 94.5 | Very high | 96.1 | Very high | 80 Ų | 80 | 61.3 Ų | 61.3 | 42% | 0.419 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -68.2 | -26.9 | 177.4 | -62.5 | -175.1 | 0 | 0 | 0 | 111.1 | E50 D99 H101 | E50-L80 HydrophobicContact CB-CD1 4.35Å; E50-L80 HydrophobicContact CG-CD1 4.11Å; L80-D99 HydrophobicContact CB-CB 4.16Å; L80-D99 HydrophobicContact CD1-CB 3.92Å; L80-D99 HydrophobicContact CG-CB 4.3Å; L80-D99 PolarHBondContact N-O 3Å; L80-H101 HydrophobicContact CD2-CB 3.78Å |
| 81 | S | 91.4 | Very high | 96 | Very high | 90 Ų | 90 | 62.8 Ų | 62.8 | 63% | 0.629 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -114.1 | -166.1 | 168.7 | -68.3 | 0 | 0 | 0 | 0 | 110.5 | Y79 | Y79-S81 CarbonylContact C-O 3.48Å; Y79-S81 WeakPolarHBondContact CB-O 3.22Å; Y79-S81 PolarHBondContact O-N 3.47Å |
| 82 | A | 90.6 | Very high | 95.9 | Very high | 82 Ų | 82 | 67 Ų | 67 | 68% | 0.678 | 38% | 0.379 | S | S | * | . | trans | -58.3 | 141.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A84 | A82-A84 PolarHBondContact O-N 3.1Š| ||
| 83 | K | 93.4 | Very high | 96 | Very high | 77 Ų | 77 | 66.5 Ų | 66.5 | 34% | 0.335 | 38% | 0.379 | S | S | . | . | trans | -69.1 | 81.7 | 165.8 | -173.9 | -175 | -178.6 | -163.5 | 0 | 108.8 | T71 D73 Y79 | T71-K83 WeakPolarHBondContact O-CE 3.31Å; T71-K83 PolarHBondContact O-NZ 3.25Å; T71-K83 VanDerWaalsContact OG1-CE 3.31Å; T71-K83 WeakPolarHBondContact OG1-CE 3.25Å; D73-K83 IonicContact OD1-NZ 2.61Å; D73-K83 PolarHBondContact OD1-NZ 3.08Å; D73-K83 IonicContact OD2-NZ 3.9Å; Y79-K83 HydrophobicContact CD1-CB 4.3Å; Y79-K83 HydrophobicContact CD1-CG 4.28Å; Y79-K83 HydrophobicContact CD2-CB 3.7Å; Y79-K83 HydrophobicContact CD2-CD 4.15Å; Y79-K83 HydrophobicContact CD2-CG 3.74Å; Y79-K83 HydrophobicContact CE1-CG 4.13Å; Y79-K83 HydrophobicContact CE2-CB 4.12Å; Y79-K83 HydrophobicContact CE2-CD 3.76Å; Y79-K83 HydrophobicContact CE2-CG 3.6Å; Y79-K83 HydrophobicContact CG-CB 3.85Å; Y79-K83 HydrophobicContact CG-CG 4.13Å | ||
| 84 | A | 93.5 | Very high | 96.1 | Very high | 28 Ų | 28 | 63.5 Ų | 63.5 | 23% | 0.231 | 36% | 0.36 | C | S | . | . | trans | -69.8 | 135.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A82 Y86 W98 | A82-A84 PolarHBondContact O-N 3.1Å; A84-Y86 HydrophobicContact CB-CD2 4.46Å; A84-Y86 HydrophobicContact CB-CE1 4Å; A84-Y86 HydrophobicContact CB-CE2 3.73Å; A84-Y86 VanDerWaalsContact CB-CZ 3.45Å; A84-Y86 WeakPolarHBondContact CB-OH 3.34Å; A84-W98 PolarHBondContact O-NE1 2.78Å | ||
| 85 | T | 97.7 | Very high | 96.2 | Very high | 76 Ų | 76 | 65.6 Ų | 65.6 | 47% | 0.466 | 37% | 0.372 | S | S | . | . | trans | -107.5 | 125.7 | 161.3 | -64.2 | 0 | 0 | 0 | 0 | 106.6 | K68 I69 | K68-T85 HydrophobicContact CD-CG2 4.24Å; K68-T85 VanDerWaalsContact CE-CG2 3.41Å; K68-T85 HydrophobicContact CG-CG2 3.79Å; I69-T85 WeakPolarHBondContact O-CA 3.34Å | ||
| 86 | Y | 97.3 | Very high | 96.2 | Very high | 83 Ų | 83 | 60.5 Ų | 60.5 | 33% | 0.325 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 143.9 | -179 | -55 | -85.5 | 0 | 0 | 0 | 109.5 | K68 I69 A84 F96 F97 W98 | K68-Y86 CarbonylContact C-O 3.47Å; K68-Y86 VanDerWaalsContact CA-O 3.29Å; K68-Y86 WeakPolarHBondContact CA-O 3.32Å; I69-Y86 PolarHBondContact N-O 3.43Å; I69-Y86 PolarHBondContact O-N 3.49Å; A84-Y86 HydrophobicContact CB-CD2 4.46Å; A84-Y86 HydrophobicContact CB-CE1 4Å; A84-Y86 HydrophobicContact CB-CE2 3.73Å; A84-Y86 VanDerWaalsContact CB-CZ 3.45Å; A84-Y86 WeakPolarHBondContact CB-OH 3.34Å; Y86-F96 HydrophobicContact CD1-CD1 4.28Å; Y86-F96 HydrophobicContact CD2-CB 4.19Å; Y86-F96 AromaticContact CD2-CD1 3.69Å; Y86-F96 HydrophobicContact CD2-CD1 3.69Å; Y86-F96 HydrophobicContact CD2-CG 4.31Å; Y86-F96 HydrophobicContact CE2-CB 4.31Å; Y86-F96 HydrophobicContact CE2-CD1 4.38Å; Y86-F96 AromaticContact CG-CD1 3.63Å; Y86-F96 HydrophobicContact CG-CD1 3.63Å; Y86-F96 HydrophobicContact CG-CE1 4.14Å; Y86-F97 PolarHBondContact OH-O 2.74Å; Y86-F97 VanDerWaalsContact OH-O 3.13Å; Y86-W98 HydrophobicContact CD2-CH2 4.34Å; Y86-W98 AromaticContact CD2-CZ2 3.74Å; Y86-W98 HydrophobicContact CD2-CZ2 3.74Å; Y86-W98 AromaticContact CE2-CE2 3.67Å; Y86-W98 HydrophobicContact CE2-CH2 4.23Å; Y86-W98 AromaticContact CE2-CZ2 3.51Å; Y86-W98 HydrophobicContact CE2-CZ2 3.51Å; Y86-W98 AromaticContact CE2-NE1 3.81Å |
| 87 | T | 97.3 | Very high | 96.2 | Very high | 54 Ų | 54 | 62.9 Ų | 62.9 | 33% | 0.331 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 123.6 | 163.7 | -58.2 | 0 | 0 | 0 | 0 | 106.5 | V66 V67 V115 I120 | V66-T87 HydrophobicContact CG1-CG2 3.73Å; V67-T87 WeakPolarHBondContact O-CA 3.49Å; T87-V115 HydrophobicContact CG2-CG2 4.22Å; T87-I120 HydrophobicContact CG2-CD1 4.22Å; T87-I120 HydrophobicContact CG2-CG1 4.02Å; T87-I120 HydrophobicContact CG2-CG2 4.32Å |
| 88 | A | 97.4 | Very high | 96.2 | Very high | 19 Ų | 19 | 62.7 Ų | 62.7 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 150.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V67 I90 F96 | V67-A88 PolarHBondContact N-O 3.4Å; V67-A88 PolarHBondContact O-N 3.1Å; A88-I90 HydrophobicContact CB-CD1 3.9Å; A88-F96 HydrophobicContact CB-CE1 4.1Å; A88-F96 HydrophobicContact CB-CZ 3.99Å |
| 89 | C | 97 | Very high | 96.1 | Very high | 18 Ų | 18 | 58.5 Ų | 58.5 | 12% | 0.122 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 119.8 | 168.7 | -167.9 | 0 | 0 | 0 | 0 | 109.4 | M65 H94 I120 C121 | M65-C89 CarbonylContact O-C 3.59Å; C89-H94 PolarHBondContact O-CE1 3.47Å; C89-I120 HydrophobicContact CB-CG2 4.41Å; C89-C121 HydrophobicContact CB-CB 3.83Å; C89-C121 WeakPolarHBondContact CB-SG 3.47Å; C89-C121 VanDerWaalsContact SG-CA 3.54Å; C89-C121 WeakPolarHBondContact SG-CB 3.34Å; C89-C121 CovalentContact SG-SG 2.03Å; C89-C121 PolarHBondContact SG-SG 3.12Å |
| 90 | I | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 106.4 | -178.1 | -44.3 | -60.6 | 0 | 0 | 0 | 108.6 | V57 N59 C64 M65 V67 A88 H94 F96 | V57-I90 HydrophobicContact CG1-CG2 4.37Å; N59-I90 HydrophobicContact CB-CG2 4.13Å; N59-I90 PolarHBondContact ND2-O 3.25Å; C64-I90 WeakPolarHBondContact CA-O 3.45Å; M65-I90 PolarHBondContact N-O 3.41Å; M65-I90 PolarHBondContact O-N 3.46Å; V67-I90 HydrophobicContact CB-CG1 3.75Å; V67-I90 HydrophobicContact CG2-CB 4.05Å; V67-I90 HydrophobicContact CG2-CG1 3.5Å; A88-I90 HydrophobicContact CB-CD1 3.9Å; I90-H94 HydrophobicContact CD1-CB 3.83Å; I90-F96 HydrophobicContact CD1-CE2 4.21Å; I90-F96 HydrophobicContact CD1-CZ 3.84Å |
| 91 | C | 95.9 | Very high | 96.2 | Very high | 44 Ų | 44 | 55.4 Ų | 55.4 | 30% | 0.297 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -100 | -31.5 | 174.7 | -56 | 0 | 0 | 0 | 0 | 111.8 | N59 C64 | N59-C91 PolarHBondContact ND2-O 3.12Å; C64-C91 HydrophobicContact CB-CB 4.1Å; C64-C91 WeakPolarHBondContact CB-SG 3.45Å; C64-C91 WeakPolarHBondContact SG-CB 3.44Å; C64-C91 CovalentContact SG-SG 2.04Å; C64-C91 PolarHBondContact SG-SG 3.44Å |
| 92 | T | 96.2 | Very high | 96.5 | Very high | 94 Ų | 94 | 51.1 Ų | 51.1 | 58% | 0.577 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -134.4 | -101.6 | -179.2 | 56.2 | 0 | 0 | 0 | 0 | 111 | T58 N59 | T58-T92 CarbonylContact C-O 3.6Å; T58-T92 WeakPolarHBondContact CA-O 3.44Å; N59-T92 WeakPolarHBondContact CB-O 3.17Å; N59-T92 PolarHBondContact N-O 3.47Å |
| 93 | I | 97.9 | Very high | 96.7 | Very high | 98 Ų | 98 | 50.9 Ų | 50.9 | 50% | 0.503 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 127.2 | -175.8 | -56.7 | 176.9 | 0 | 0 | 0 | 109.4 | T56 V57 T58 | T56-I93 HydrophobicContact CG2-CG2 3.54Å; V57-I93 WeakPolarHBondContact O-CA 3.43Å; T58-I93 HydrophobicContact CG2-CD1 4.25Å; T58-I93 HydrophobicContact CG2-CG1 3.85Å |
| 94 | H | 98.3 | Very high | 96.8 | Very high | 68 Ų | 68 | 48.9 Ų | 48.9 | 32% | 0.315 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 147.2 | 176.7 | -71.7 | -135.6 | 0 | 0 | 0 | 109.6 | V57 C89 I90 F96 | V57-H94 PolarHBondContact N-O 3.4Å; V57-H94 PolarHBondContact O-N 3.41Å; C89-H94 PolarHBondContact O-CE1 3.47Å; I90-H94 HydrophobicContact CD1-CB 3.83Å; H94-F96 HydrophobicContact CB-CE2 3.8Å; H94-F96 HydrophobicContact CB-CZ 3.98Å |
| 95 | N | 98.3 | Very high | 97 | Very high | 80 Ų | 80 | 52.2 Ų | 52.2 | 43% | 0.428 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 138.1 | 177.2 | -63.1 | -45.1 | 0 | 0 | 0 | 110.1 | T54 L55 T56 F97 | T54-N95 HydrophobicContact CG2-CB 4.2Å; L55-N95 WeakPolarHBondContact O-CA 3.29Å; T56-N95 WeakPolarHBondContact CA-OD1 3.41Å; T56-N95 VanDerWaalsContact CB-OD1 3.32Å; T56-N95 WeakPolarHBondContact CB-OD1 3.23Å; T56-N95 WeakPolarHBondContact CG2-OD1 3.47Å; T56-N95 PolarHBondContact OG1-OD1 2.71Å; N95-F97 HydrophobicContact CB-CE1 4.27Å; N95-F97 HydrophobicContact CB-CE2 3.61Å; N95-F97 HydrophobicContact CB-CZ 3.41Å; N95-F97 VanDerWaalsContact CB-CZ 3.41Å |
| 96 | F | 98.2 | Very high | 97 | Very high | 15 Ų | 15 | 49.4 Ų | 49.4 | 7% | 0.066 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 142.5 | 177.3 | -57.5 | -88.1 | 0 | 0 | 0 | 109.1 | T54 L55 V57 I69 Y86 A88 I90 H94 W98 | T54-F96 CarbonylContact C-O 3.59Å; T54-F96 WeakPolarHBondContact CA-O 3.28Å; L55-F96 PolarHBondContact N-O 3.48Å; L55-F96 PolarHBondContact O-N 2.88Å; V57-F96 HydrophobicContact CB-CE2 4.23Å; V57-F96 HydrophobicContact CG2-CD2 3.98Å; V57-F96 HydrophobicContact CG2-CE2 3.88Å; I69-F96 HydrophobicContact CB-CD1 4.32Å; I69-F96 HydrophobicContact CB-CD2 4.34Å; I69-F96 HydrophobicContact CB-CE1 4.46Å; I69-F96 HydrophobicContact CB-CG 4.25Å; I69-F96 HydrophobicContact CD1-CE2 4.31Å; I69-F96 HydrophobicContact CG1-CD1 4.29Å; I69-F96 HydrophobicContact CG1-CD2 3.92Å; I69-F96 HydrophobicContact CG1-CE1 4Å; I69-F96 HydrophobicContact CG1-CE2 3.64Å; I69-F96 HydrophobicContact CG1-CG 4.25Å; I69-F96 HydrophobicContact CG1-CZ 3.68Å; I69-F96 HydrophobicContact CG2-CB 4.13Å; I69-F96 HydrophobicContact CG2-CD1 4.4Å; I69-F96 HydrophobicContact CG2-CD2 3.93Å; I69-F96 HydrophobicContact CG2-CG 3.87Å; Y86-F96 HydrophobicContact CD1-CD1 4.28Å; Y86-F96 HydrophobicContact CD2-CB 4.19Å; Y86-F96 AromaticContact CD2-CD1 3.69Å; Y86-F96 HydrophobicContact CD2-CD1 3.69Å; Y86-F96 HydrophobicContact CD2-CG 4.31Å; Y86-F96 HydrophobicContact CE2-CB 4.31Å; Y86-F96 HydrophobicContact CE2-CD1 4.38Å; Y86-F96 AromaticContact CG-CD1 3.63Å; Y86-F96 HydrophobicContact CG-CD1 3.63Å; Y86-F96 HydrophobicContact CG-CE1 4.14Å; A88-F96 HydrophobicContact CB-CE1 4.1Å; A88-F96 HydrophobicContact CB-CZ 3.99Å; I90-F96 HydrophobicContact CD1-CE2 4.21Å; I90-F96 HydrophobicContact CD1-CZ 3.84Å; H94-F96 HydrophobicContact CB-CE2 3.8Å; H94-F96 HydrophobicContact CB-CZ 3.98Å; F96-W98 HydrophobicContact CB-CH2 3.75Å; F96-W98 HydrophobicContact CB-CZ3 3.96Å |
| 97 | F | 96.9 | Very high | 97 | Very high | 104 Ų | 104 | 48.6 Ų | 48.6 | 46% | 0.456 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 143.8 | -167 | -54.6 | -88.5 | 0 | 0 | 0 | 112.2 | V53 T54 Y86 N95 | V53-F97 VanDerWaalsContact O-CA 3.25Å; V53-F97 WeakPolarHBondContact O-CA 3.38Å; T54-F97 HydrophobicContact CG2-CD1 3.95Å; T54-F97 HydrophobicContact CG2-CE1 3.44Å; T54-F97 VanDerWaalsContact CG2-CE1 3.44Å; T54-F97 HydrophobicContact CG2-CZ 4.1Å; T54-F97 WeakPolarHBondContact OG1-CD1 3.4Å; T54-F97 VanDerWaalsContact OG1-CE1 3.27Å; T54-F97 WeakPolarHBondContact OG1-CE1 3.49Å; Y86-F97 PolarHBondContact OH-O 2.74Å; Y86-F97 VanDerWaalsContact OH-O 3.13Å; N95-F97 HydrophobicContact CB-CE1 4.27Å; N95-F97 HydrophobicContact CB-CE2 3.61Å; N95-F97 HydrophobicContact CB-CZ 3.41Å; N95-F97 VanDerWaalsContact CB-CZ 3.41Å |
| 98 | W | 97.6 | Very high | 97 | Very high | 10 Ų | 10 | 46 Ų | 46 | 4% | 0.038 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 141.2 | 167.9 | -58.6 | -96.3 | 0 | 0 | 0 | 109 | V53 L55 I69 T71 Y79 A84 Y86 F96 I100 | V53-W98 HydrophobicContact CB-CB 4.42Å; V53-W98 HydrophobicContact CB-CE3 4.34Å; V53-W98 WeakPolarHBondContact CB-O 3.28Å; V53-W98 HydrophobicContact CG1-CE3 4.01Å; V53-W98 PolarHBondContact N-O 2.03Å; V53-W98 PolarHBondContact O-N 3.16Å; V53-W98 VanDerWaalsContact O-N 3.11Å; L55-W98 HydrophobicContact CB-CH2 4.28Å; L55-W98 HydrophobicContact CB-CZ3 3.76Å; L55-W98 HydrophobicContact CD2-CH2 4.25Å; L55-W98 HydrophobicContact CD2-CZ3 4.45Å; I69-W98 HydrophobicContact CG2-CH2 3.83Å; I69-W98 HydrophobicContact CG2-CZ2 4.42Å; T71-W98 HydrophobicContact CG2-CD2 4.18Å; T71-W98 HydrophobicContact CG2-CE3 4.22Å; T71-W98 HydrophobicContact CG2-CH2 4.17Å; T71-W98 HydrophobicContact CG2-CZ2 4.1Å; T71-W98 HydrophobicContact CG2-CZ3 4.23Å; Y79-W98 HydrophobicContact CD1-CB 3.89Å; Y79-W98 AromaticContact CD1-CD1 3.59Å; Y79-W98 AromaticContact CD1-CG 3.98Å; Y79-W98 HydrophobicContact CD1-CG 3.98Å; Y79-W98 HydrophobicContact CE1-CB 3.77Å; Y79-W98 AromaticContact CE1-CD1 3.44Å; Y79-W98 VanDerWaalsContact CE1-CD1 3.44Å; Y79-W98 AromaticContact CE1-CG 3.64Å; Y79-W98 HydrophobicContact CE1-CG 3.64Å; A84-W98 PolarHBondContact O-NE1 2.78Å; Y86-W98 HydrophobicContact CD2-CH2 4.34Å; Y86-W98 AromaticContact CD2-CZ2 3.74Å; Y86-W98 HydrophobicContact CD2-CZ2 3.74Å; Y86-W98 AromaticContact CE2-CE2 3.67Å; Y86-W98 HydrophobicContact CE2-CH2 4.23Å; Y86-W98 AromaticContact CE2-CZ2 3.51Å; Y86-W98 HydrophobicContact CE2-CZ2 3.51Å; Y86-W98 AromaticContact CE2-NE1 3.81Å; F96-W98 HydrophobicContact CB-CH2 3.75Å; F96-W98 HydrophobicContact CB-CZ3 3.96Å; W98-I100 HydrophobicContact CB-CG2 4.29Å |
| 99 | D | 95.9 | Very high | 97 | Very high | 64 Ų | 64 | 47.6 Ų | 47.6 | 34% | 0.342 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131 | 164.2 | -61.7 | -39.2 | 0 | 0 | 0 | 109.1 | I45 F51 T52 L80 | I45-D99 HydrophobicContact CD1-CB 4.14Å; F51-D99 WeakPolarHBondContact O-CA 3.48Å; T52-D99 WeakPolarHBondContact CB-OD1 3.23Å; T52-D99 PolarHBondContact OG1-OD1 2.83Å; L80-D99 HydrophobicContact CB-CB 4.16Å; L80-D99 HydrophobicContact CD1-CB 3.92Å; L80-D99 HydrophobicContact CG-CB 4.3Å; L80-D99 PolarHBondContact N-O 3Å |
| 100 | I | 96.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 149.3 | -173.9 | 62.5 | 172.4 | 0 | 0 | 0 | 111.7 | E50 F51 V53 I77 K78 Y79 W98 V102 L108 I141 | E50-I100 CarbonylContact C-O 3.56Å; E50-I100 VanDerWaalsContact CA-O 3.3Å; E50-I100 WeakPolarHBondContact CA-O 3.49Å; F51-I100 HydrophobicContact CB-CD1 4.49Å; F51-I100 HydrophobicContact CB-CG1 4.01Å; F51-I100 PolarHBondContact N-O 2.8Å; F51-I100 WeakPolarHBondContact O-CG1 3.38Å; F51-I100 PolarHBondContact O-N 2.83Å; V53-I100 HydrophobicContact CG2-CD1 3.55Å; V53-I100 HydrophobicContact CG2-CG1 3.88Å; V53-I100 HydrophobicContact CG2-CG2 4.47Å; I77-I100 HydrophobicContact CD1-CD1 4.48Å; I77-I100 HydrophobicContact CG2-CB 3.81Å; I77-I100 HydrophobicContact CG2-CD1 3.89Å; I77-I100 HydrophobicContact CG2-CG1 4.42Å; I77-I100 HydrophobicContact CG2-CG2 3.8Å; K78-I100 CarbonylContact O-C 3.6Å; K78-I100 VanDerWaalsContact O-CA 3.26Å; K78-I100 WeakPolarHBondContact O-CA 3.11Å; Y79-I100 HydrophobicContact CD1-CG2 3.67Å; Y79-I100 HydrophobicContact CE1-CG2 3.67Å; Y79-I100 HydrophobicContact CG-CG2 4.17Å; W98-I100 HydrophobicContact CB-CG2 4.29Å; I100-V102 HydrophobicContact CD1-CG2 3.84Å; I100-V102 HydrophobicContact CG1-CG2 4.17Å; I100-L108 HydrophobicContact CD1-CD2 4.31Å; I100-I141 HydrophobicContact CD1-CD1 3.67Å |
| 101 | H | 95.9 | Very high | 97.1 | Very high | 60 Ų | 60 | 49.7 Ų | 49.7 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 134.5 | 164 | 177.1 | 85.2 | 0 | 0 | 0 | 109.4 | A48 N49 K78 L80 | A48-H101 PolarHBondContact O-ND1 2.98Å; N49-H101 WeakPolarHBondContact O-CA 3.02Å; K78-H101 PolarHBondContact N-O 2.04Å; K78-H101 PolarHBondContact O-N 2.89Å; L80-H101 HydrophobicContact CD2-CB 3.78Å |
| 102 | V | 96.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124.4 | -176.1 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | N49 F51 N76 I77 I100 A104 T106 I141 V143 | N49-V102 VanDerWaalsContact CB-O 3.26Å; N49-V102 WeakPolarHBondContact CB-O 3.46Å; N49-V102 PolarHBondContact O-N 3.45Å; F51-V102 HydrophobicContact CD2-CB 4.2Å; F51-V102 HydrophobicContact CD2-CG2 3.75Å; F51-V102 HydrophobicContact CE2-CB 3.98Å; F51-V102 HydrophobicContact CE2-CG2 4.01Å; N76-V102 CarbonylContact O-C 3.59Å; N76-V102 VanDerWaalsContact O-CA 3.32Å; N76-V102 WeakPolarHBondContact O-CA 2.97Å; I77-V102 HydrophobicContact CG1-CG2 4.35Å; I100-V102 HydrophobicContact CD1-CG2 3.84Å; I100-V102 HydrophobicContact CG1-CG2 4.17Å; V102-A104 WeakPolarHBondContact CG1-O 3.42Å; V102-T106 HydrophobicContact CG1-CG2 3.67Å; V102-I141 HydrophobicContact CB-CG2 4.47Å; V102-I141 HydrophobicContact CG1-CG2 4.33Å; V102-I141 HydrophobicContact CG2-CD1 4.14Å; V102-I141 HydrophobicContact CG2-CG2 4.13Å; V102-V143 HydrophobicContact CB-CG1 3.87Å; V102-V143 HydrophobicContact CG1-CG1 3.63Å; V102-V143 WeakPolarHBondContact O-CG1 3.33Å |
| 103 | S | 95.6 | Very high | 97.2 | Very high | 76 Ų | 76 | 45.9 Ų | 45.9 | 53% | 0.531 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -90 | -19.9 | -175.3 | 59.2 | 0 | 0 | 0 | 0 | 114.5 | N76 | N76-S103 WeakPolarHBondContact CA-OG 3.37Å; N76-S103 PolarHBondContact O-N 2.99Å; N76-S103 PolarHBondContact O-OG 2.86Å |
| 104 | A | 95.9 | Very high | 97.1 | Very high | 36 Ų | 36 | 41.3 Ų | 41.3 | 30% | 0.298 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -156.9 | 159.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | N76 V102 T106 | N76-A104 HydrophobicContact CB-CB 4.49Å; V102-A104 WeakPolarHBondContact CG1-O 3.42Å; A104-T106 WeakPolarHBondContact O-CB 3.08Å; A104-T106 PolarHBondContact O-N 3.04Å |
| 105 | N | 96.8 | Very high | 97 | Very high | 97 Ų | 97 | 38.8 Ų | 38.8 | 52% | 0.519 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -51 | 126.6 | 173.8 | -68.9 | -17.6 | 0 | 0 | 0 | 109.9 | I141 L142 V143 | N105-I141 WeakPolarHBondContact CA-O 3.43Å; N105-L142 HydrophobicContact CB-CD2 4.26Å; N105-L142 WeakPolarHBondContact OD1-CA 3.4Å; N105-V143 WeakPolarHBondContact OD1-CG2 3.42Å; N105-V143 PolarHBondContact OD1-N 3.19Å; N105-V143 PolarHBondContact OD1-O 3.25Å |
| 106 | T | 97.4 | Very high | 96.7 | Very high | 18 Ų | 18 | 38.9 Ų | 38.9 | 11% | 0.11 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | -178.5 | -169.6 | -160.6 | 0 | 0 | 0 | 0 | 111.8 | N74 N76 I77 V102 A104 I141 | N74-T106 VanDerWaalsContact CG-OG1 3.27Å; N74-T106 PolarHBondContact ND2-OG1 2.95Å; N74-T106 PolarHBondContact OD1-OG1 3.03Å; N76-T106 HydrophobicContact CB-CG2 4.29Å; I77-T106 HydrophobicContact CD1-CG2 3.94Å; I77-T106 HydrophobicContact CG1-CG2 3.85Å; V102-T106 HydrophobicContact CG1-CG2 3.67Å; A104-T106 WeakPolarHBondContact O-CB 3.08Å; A104-T106 PolarHBondContact O-N 3.04Å; T106-I141 HydrophobicContact CG2-CB 4.41Å; T106-I141 PolarHBondContact N-O 2.99Å; T106-I141 PolarHBondContact O-N 3.45Å |
| 107 | V | 97.7 | Very high | 96.3 | Very high | 65 Ų | 65 | 41.8 Ų | 41.8 | 39% | 0.394 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.3 | 174.4 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | N74 T138 S139 K140 | N74-V107 PolarHBondContact ND2-O 3.39Å; V107-T138 HydrophobicContact CG1-CG2 4.03Å; V107-S139 WeakPolarHBondContact CA-O 3.05Å; V107-K140 HydrophobicContact CG2-CG 4.2Å |
| 108 | L | 97.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 133.2 | 167.5 | 178.4 | 65.7 | 0 | 0 | 0 | 108.9 | L40 V42 V53 T71 I77 I100 T138 S139 I141 | L40-L108 HydrophobicContact CD1-CD2 4.36Å; L40-L108 HydrophobicContact CD2-CB 4.46Å; L40-L108 HydrophobicContact CD2-CD2 4.2Å; L40-L108 HydrophobicContact CD2-CG 4.13Å; V42-L108 HydrophobicContact CG2-CD2 4.37Å; V53-L108 HydrophobicContact CB-CD2 4.14Å; V53-L108 HydrophobicContact CG1-CD2 3.52Å; V53-L108 HydrophobicContact CG2-CD2 3.46Å; V53-L108 VanDerWaalsContact CG2-CD2 3.46Å; T71-L108 HydrophobicContact CG2-CD1 4.11Å; I77-L108 HydrophobicContact CD1-CB 4.03Å; I77-L108 HydrophobicContact CD1-CD1 3.78Å; I77-L108 HydrophobicContact CD1-CG 4.48Å; I100-L108 HydrophobicContact CD1-CD2 4.31Å; L108-T138 CarbonylContact O-C 3.59Å; L108-T138 VanDerWaalsContact O-CA 3.25Å; L108-T138 WeakPolarHBondContact O-CA 3.42Å; L108-S139 PolarHBondContact N-O 2.97Å; L108-S139 PolarHBondContact O-N 2.66Å; L108-I141 HydrophobicContact CB-CD1 3.91Å; L108-I141 HydrophobicContact CB-CG1 4.49Å; L108-I141 HydrophobicContact CD2-CD1 4.43Å |
| 109 | Q | 98.2 | Very high | 95.6 | Very high | 51 Ų | 51 | 51.9 Ų | 51.9 | 24% | 0.238 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123.8 | 172.1 | -171.6 | -175.5 | 109.4 | 0 | 0 | 109.7 | T71 E72 V137 T138 | T71-Q109 CarbonylContact C-O 3.51Å; T71-Q109 VanDerWaalsContact CA-O 3.25Å; T71-Q109 WeakPolarHBondContact CA-O 3.25Å; E72-Q109 HydrophobicContact CB-CB 3.91Å; E72-Q109 PolarHBondContact N-O 3.05Å; E72-Q109 PolarHBondContact OE2-NE2 2.64Å; E72-Q109 PolarHBondContact OE2-OE1 3.46Å; E72-Q109 VanDerWaalsContact OE2-OE1 3.14Å; Q109-V137 CarbonylContact C-O 3.56Å; Q109-V137 WeakPolarHBondContact CA-O 3.44Å; Q109-T138 HydrophobicContact CB-CG2 3.95Å; Q109-T138 HydrophobicContact CG-CG2 3.8Å |
| 110 | G | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 142.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | T136 V137 | G110-T136 CarbonylContact O-C 3.37Å; G110-T136 VanDerWaalsContact O-CA 3.28Å; G110-T136 WeakPolarHBondContact O-CA 3.1Å; G110-V137 PolarHBondContact N-O 3.31Å; G110-V137 PolarHBondContact O-N 2.86Å |
| 111 | K | 97.5 | Very high | 95.4 | Very high | 63 Ų | 63 | 52.9 Ų | 52.9 | 27% | 0.274 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 133.9 | -179.1 | -177.1 | 178 | 68.1 | 154.9 | 0 | 110.5 | I69 S70 E113 V134 E135 T136 | I69-K111 WeakPolarHBondContact CA-O 3.46Å; S70-K111 PolarHBondContact N-O 3.44Å; S70-K111 PolarHBondContact O-N 3.19Å; S70-K111 VanDerWaalsContact OG-CE 3.23Å; S70-K111 WeakPolarHBondContact OG-CE 3.48Å; K111-E113 IonicContact NZ-OE2 2.95Å; K111-E113 PolarHBondContact NZ-OE2 3.05Å; K111-E113 VanDerWaalsContact NZ-OE2 3.16Å; K111-V134 HydrophobicContact CD-CG1 3.91Å; K111-V134 HydrophobicContact CG-CG1 3.81Å; K111-E135 WeakPolarHBondContact CA-O 3.5Å; K111-T136 HydrophobicContact CB-CG2 4.25Å; K111-T136 HydrophobicContact CG-CG2 4.07Å |
| 112 | A | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 118.6 | 170 | 0 | 0 | 0 | 0 | 0 | 109.3 | L36 L38 V57 V67 I69 V134 E135 | L36-A112 HydrophobicContact CD1-CB 3.95Å; L38-A112 HydrophobicContact CD1-CB 3.94Å; L38-A112 HydrophobicContact CD2-CB 3.8Å; L38-A112 HydrophobicContact CG-CB 4.15Å; V57-A112 HydrophobicContact CG1-CB 4.43Å; V57-A112 HydrophobicContact CG2-CB 4.45Å; V67-A112 HydrophobicContact CG1-CB 3.84Å; I69-A112 HydrophobicContact CD1-CB 3.58Å; A112-V134 WeakPolarHBondContact O-CA 3.29Å; A112-E135 PolarHBondContact N-O 2.85Å; A112-E135 PolarHBondContact O-N 2.71Å |
| 113 | E | 96.8 | Very high | 94.9 | Very high | 57 Ų | 57 | 61.8 Ų | 61.8 | 27% | 0.266 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 120.6 | -176.9 | 174.3 | 172 | -179.2 | 0 | 0 | 109.5 | V67 K68 K111 V115 Y133 V134 | V67-E113 CarbonylContact C-O 3.58Å; V67-E113 WeakPolarHBondContact CA-O 3.4Å; V67-E113 WeakPolarHBondContact CG1-O 3.32Å; K68-E113 HydrophobicContact CB-CB 4.48Å; K68-E113 PolarHBondContact N-O 3.4Å; K68-E113 PolarHBondContact O-N 2.91Å; K111-E113 IonicContact NZ-OE2 2.95Å; K111-E113 PolarHBondContact NZ-OE2 3.05Å; K111-E113 VanDerWaalsContact NZ-OE2 3.16Å; E113-V115 HydrophobicContact CG-CG1 3.93Å; E113-V115 PolarHBondContact O-N 3.08Å; E113-Y133 CarbonylContact C-O 3Å; E113-Y133 WeakPolarHBondContact CA-O 3.16Å; E113-V134 HydrophobicContact CB-CG2 4.12Å; E113-V134 HydrophobicContact CG-CG2 3.87Å |
| 114 | V | 96.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.012 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 121 | 174.9 | -172.5 | 0 | 0 | 0 | 0 | 108.4 | L36 M65 V66 V67 V130 T131 S132 Y133 | L36-V114 HydrophobicContact CD1-CG2 4.02Å; M65-V114 HydrophobicContact CB-CG1 4.05Å; M65-V114 HydrophobicContact CB-CG2 4.45Å; M65-V114 HydrophobicContact CG-CG1 4.02Å; M65-V114 HydrophobicContact CG-CG2 4.42Å; M65-V114 HydrophobicContact SD-CG1 4.25Å; M65-V114 HydrophobicContact SD-CG2 3.71Å; V66-V114 CarbonylContact O-C 3.57Å; V66-V114 WeakPolarHBondContact O-CA 3.44Å; V67-V114 HydrophobicContact CG2-CG2 4.39Å; V114-V130 WeakPolarHBondContact CG1-O 3.49Å; V114-T131 CarbonylContact O-C 3.47Å; V114-T131 VanDerWaalsContact O-O 3.08Å; V114-S132 PolarHBondContact O-N 2.95Å; V114-Y133 HydrophobicContact CG2-CD1 4.08Å; V114-Y133 HydrophobicContact CG2-CG 4.47Å; V114-Y133 PolarHBondContact N-O 2.83Å |
| 115 | V | 95.1 | Very high | 94.1 | Very high | 15 Ų | 15 | 64.9 Ų | 64.9 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | trans | -118.7 | 155 | -173.3 | -65.3 | 0 | 0 | 0 | 0 | 111.2 | V66 K68 T87 E113 D117 | V66-V115 HydrophobicContact CB-CG2 4.35Å; V66-V115 HydrophobicContact CG1-CG2 3.77Å; V66-V115 PolarHBondContact O-N 2.84Å; K68-V115 HydrophobicContact CB-CG1 3.81Å; K68-V115 HydrophobicContact CB-CG2 4.31Å; K68-V115 HydrophobicContact CD-CG1 4.46Å; T87-V115 HydrophobicContact CG2-CG2 4.22Å; E113-V115 HydrophobicContact CG-CG1 3.93Å; E113-V115 PolarHBondContact O-N 3.08Å; V115-D117 HydrophobicContact CG2-CB 4.04Å; V115-D117 PolarHBondContact O-N 3.38Å | ||
| 116 | P | 92.6 | Very high | 93.6 | Very high | 82 Ų | 82 | 64.7 Ų | 64.7 | 53% | 0.532 | 36% | 0.362 | S | S | . | . | trans | -82.2 | 12.7 | 179.1 | 34.1 | -35.6 | 0 | 0 | 0 | 114.1 | K118 T131 | P116-K118 PolarHBondContact O-N 3.3Å; P116-T131 HydrophobicContact CB-CG2 3.69Å | ||
| 117 | D | 90.3 | Very high | 93.3 | Very high | 77 Ų | 77 | 67.1 Ų | 67.1 | 41% | 0.412 | 37% | 0.374 | S | S | . | . | trans | -58.3 | 131.9 | -174.6 | -69.8 | -0.2 | 0 | 0 | 0 | 110.6 | V66 V115 I120 | V66-D117 HydrophobicContact CG1-CB 4.06Å; V115-D117 HydrophobicContact CG2-CB 4.04Å; V115-D117 PolarHBondContact O-N 3.38Å; D117-I120 HydrophobicContact CB-CG1 4Å | ||
| 118 | K | 88.9 | Confident | 92.9 | Very high | 173 Ų | 173 | 66 Ų | 66 | 75% | 0.752 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -90.3 | 162.8 | -179.2 | -61.6 | -178.4 | -178.2 | 179.3 | 0 | 110.7 | P116 I120 | P116-K118 PolarHBondContact O-N 3.3Å; K118-I120 PolarHBondContact O-N 3.42Å; K118-I120 VanDerWaalsContact O-N 3.08Å |
| 119 | D | 90.4 | Very high | 92.3 | Very high | 153 Ų | 153 | 70.7 Ų | 70.7 | 82% | 0.818 | 39% | 0.394 | S | S | * | . | S | Bend | trans | 61.7 | 16.9 | 173.3 | -44.3 | -42.7 | 0 | 0 | 0 | 114.7 | ||
| 120 | I | 94.7 | Very high | 91.4 | Very high | 66 Ų | 66 | 71 Ų | 71 | 34% | 0.338 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -89.8 | -39.1 | 172.9 | -56.4 | -59.4 | 0 | 0 | 0 | 111.5 | V66 T87 C89 D117 K118 | V66-I120 HydrophobicContact CG1-CB 3.73Å; V66-I120 HydrophobicContact CG1-CG1 3.78Å; V66-I120 HydrophobicContact CG1-CG2 3.83Å; V66-I120 HydrophobicContact CG2-CB 4.11Å; T87-I120 HydrophobicContact CG2-CD1 4.22Å; T87-I120 HydrophobicContact CG2-CG1 4.02Å; T87-I120 HydrophobicContact CG2-CG2 4.32Å; C89-I120 HydrophobicContact CB-CG2 4.41Å; D117-I120 HydrophobicContact CB-CG1 4Å; K118-I120 PolarHBondContact O-N 3.42Å; K118-I120 VanDerWaalsContact O-N 3.08Å |
| 121 | C | 94 | Very high | 90.5 | Very high | 18 Ų | 18 | 74.4 Ų | 74.4 | 12% | 0.122 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -86.8 | 148.1 | 173.9 | -68.4 | 0 | 0 | 0 | 0 | 110.4 | V66 C89 E125 I127 | V66-C121 VanDerWaalsContact CG2-SG 3.58Å; C89-C121 HydrophobicContact CB-CB 3.83Å; C89-C121 WeakPolarHBondContact CB-SG 3.47Å; C89-C121 VanDerWaalsContact SG-CA 3.54Å; C89-C121 WeakPolarHBondContact SG-CB 3.34Å; C89-C121 CovalentContact SG-SG 2.03Å; C89-C121 PolarHBondContact SG-SG 3.12Å; C121-E125 HydrophobicContact CB-CB 4.37Å; C121-I127 HydrophobicContact CB-CD1 3.58Å; C121-I127 WeakPolarHBondContact SG-CD1 3.4Å |
| 122 | P | 92.5 | Very high | 89.9 | Confident | 85 Ų | 85 | 75.9 Ų | 75.9 | 55% | 0.552 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 150.2 | 170.7 | -23.7 | 33.3 | 0 | 0 | 0 | 112.7 | E125 | P122-E125 HydrophobicContact CB-CG 4.24Å; P122-E125 HydrophobicContact CG-CG 4.47Å; P122-E125 WeakPolarHBondContact O-CB 3.29Å; P122-E125 WeakPolarHBondContact O-CG 3.33Å; P122-E125 PolarHBondContact O-N 2.88Å |
| 123 | D | 89.4 | Confident | 89.6 | Confident | 163 Ų | 163 | 78 Ų | 78 | 87% | 0.872 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 139 | 175.2 | -69.9 | -34 | 0 | 0 | 0 | 111.5 | E125 | D123-E125 VanDerWaalsContact C-N 3.35Š|
| 124 | G | 87.4 | Confident | 89.6 | Confident | 87 Ų | 87 | 78.6 Ų | 78.6 | 90% | 0.897 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | -6.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 125 | E | 87.1 | Confident | 89.5 | Confident | 89 Ų | 89 | 81 Ų | 81 | 42% | 0.416 | 47% | 0.465 | S | S | . | . | trans | -67.1 | 137.9 | 173.9 | -70.8 | -62.6 | 167.8 | 0 | 0 | 112.1 | C64 C121 P122 D123 I127 | C64-E125 PolarHBondContact SG-OE2 3.37Å; C121-E125 HydrophobicContact CB-CB 4.37Å; P122-E125 HydrophobicContact CB-CG 4.24Å; P122-E125 HydrophobicContact CG-CG 4.47Å; P122-E125 WeakPolarHBondContact O-CB 3.29Å; P122-E125 WeakPolarHBondContact O-CG 3.33Å; P122-E125 PolarHBondContact O-N 2.88Å; D123-E125 VanDerWaalsContact C-N 3.35Å; E125-I127 HydrophobicContact CB-CD1 3.78Å; E125-I127 PolarHBondContact O-N 3.43Å | ||
| 126 | N | 87.2 | Confident | 89.6 | Confident | 94 Ų | 94 | 83.2 Ų | 83.2 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | trans | -81.4 | 99.5 | 175 | -170 | 0.9 | 0 | 0 | 0 | 109.1 | K63 C64 | K63-N126 WeakPolarHBondContact CA-O 3.43Å; K63-N126 VanDerWaalsContact CB-O 3.29Å; K63-N126 WeakPolarHBondContact CB-O 3.3Å; K63-N126 WeakPolarHBondContact CE-ND2 3.34Å; K63-N126 HydrophobicContact CG-CB 4.46Å; C64-N126 PolarHBondContact N-O 3.31Å; C64-N126 VanDerWaalsContact N-O 3.14Å | ||
| 127 | I | 90.9 | Very high | 89.9 | Confident | 69 Ų | 69 | 80.8 Ų | 80.8 | 35% | 0.354 | 46% | 0.463 | S | S | . | . | B | Isolated β-bridge | trans | -81.9 | 134.6 | -176.6 | -50.7 | -51.8 | 0 | 0 | 0 | 110.8 | C64 C121 E125 | C64-I127 HydrophobicContact CB-CD1 4.14Å; C64-I127 CarbonylContact O-C 3.59Å; C64-I127 WeakPolarHBondContact O-CA 3.34Å; C121-I127 HydrophobicContact CB-CD1 3.58Å; C121-I127 WeakPolarHBondContact SG-CD1 3.4Å; E125-I127 HydrophobicContact CB-CD1 3.78Å; E125-I127 PolarHBondContact O-N 3.43Å |
| 128 | F | 88.3 | Confident | 90.2 | Very high | 42 Ų | 42 | 81.2 Ų | 81.2 | 18% | 0.184 | 47% | 0.468 | C | S | . | . | trans | -65.8 | 131 | 173.4 | -165.7 | -101.9 | 0 | 0 | 0 | 109.9 | L35 V61 K63 C64 M65 V130 | L35-F128 HydrophobicContact CD1-CD1 4.15Å; L35-F128 HydrophobicContact CD1-CE1 3.47Å; L35-F128 VanDerWaalsContact CD1-CE1 3.47Å; L35-F128 HydrophobicContact CD1-CZ 4.15Å; L35-F128 HydrophobicContact CD2-CE1 3.91Å; L35-F128 HydrophobicContact CD2-CE2 4.48Å; L35-F128 HydrophobicContact CD2-CZ 3.71Å; L35-F128 HydrophobicContact CG-CE1 4.35Å; V61-F128 HydrophobicContact CG1-CE2 4.4Å; V61-F128 HydrophobicContact CG2-CD2 3.97Å; V61-F128 HydrophobicContact CG2-CE2 4.33Å; V61-F128 HydrophobicContact CG2-CG 4.37Å; K63-F128 HydrophobicContact CB-CB 3.94Å; K63-F128 HydrophobicContact CB-CD2 4.13Å; K63-F128 HydrophobicContact CD-CD2 4.22Å; C64-F128 PolarHBondContact O-N 3.02Å; M65-F128 HydrophobicContact CG-CB 3.53Å; M65-F128 HydrophobicContact CG-CD1 4.3Å; M65-F128 HydrophobicContact CG-CG 4.2Å; M65-F128 HydrophobicContact SD-CB 4.33Å; M65-F128 HydrophobicContact SD-CD1 4.13Å; M65-F128 HydrophobicContact SD-CG 4.39Å; F128-V130 VanDerWaalsContact C-N 3.3Å; F128-V130 HydrophobicContact CD1-CB 3.74Å; F128-V130 HydrophobicContact CD1-CG2 3.97Å; F128-V130 HydrophobicContact CE1-CB 3.52Å; F128-V130 HydrophobicContact CE1-CG2 3.32Å; F128-V130 HydrophobicContact CZ-CG2 4.13Å; F128-V130 PolarHBondContact O-N 3.14Å | ||
| 129 | P | 85.8 | Confident | 90.7 | Very high | 99 Ų | 99 | 74.3 Ų | 74.3 | 64% | 0.643 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -77.2 | -8.4 | -166.7 | 29.8 | -36.8 | 0 | 0 | 0 | 115.1 | ||
| 130 | V | 79.7 | Confident | 91 | Very high | 57 Ų | 57 | 75.1 Ų | 75.1 | 35% | 0.345 | 44% | 0.438 | S | S | . | . | trans | -83.9 | 132.2 | -177.8 | 176.1 | 0 | 0 | 0 | 0 | 110.1 | V114 F128 | V114-V130 WeakPolarHBondContact CG1-O 3.49Å; F128-V130 VanDerWaalsContact C-N 3.3Å; F128-V130 HydrophobicContact CD1-CB 3.74Å; F128-V130 HydrophobicContact CD1-CG2 3.97Å; F128-V130 HydrophobicContact CE1-CB 3.52Å; F128-V130 HydrophobicContact CE1-CG2 3.32Å; F128-V130 HydrophobicContact CZ-CG2 4.13Å; F128-V130 PolarHBondContact O-N 3.14Å | ||
| 131 | T | 78.5 | Confident | 91 | Very high | 71 Ų | 71 | 72.1 Ų | 72.1 | 44% | 0.436 | 42% | 0.422 | S | S | . | . | trans | -128.7 | 25.1 | -169.9 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | V114 P116 | V114-T131 CarbonylContact O-C 3.47Å; V114-T131 VanDerWaalsContact O-O 3.08Å; P116-T131 HydrophobicContact CB-CG2 3.69Å | ||
| 132 | S | 83.9 | Confident | 91 | Very high | 95 Ų | 95 | 77.2 Ų | 77.2 | 66% | 0.664 | 45% | 0.448 | S | S | * | . | trans | -149.8 | 17.6 | -179.3 | 69.7 | 0 | 0 | 0 | 0 | 113.3 | V114 | V114-S132 PolarHBondContact O-N 2.95Š| ||
| 133 | Y | 93.2 | Very high | 91 | Very high | 44 Ų | 44 | 74.5 Ų | 74.5 | 17% | 0.173 | 43% | 0.429 | C | S | . | . | trans | -78.7 | 132.1 | 177.4 | 178.8 | -90 | 0 | 0 | 0 | 109.2 | T34 L35 L36 E113 V114 E135 | T34-Y133 VanDerWaalsContact CA-OH 3.29Å; T34-Y133 WeakPolarHBondContact CA-OH 3.4Å; T34-Y133 VanDerWaalsContact CB-OH 3.32Å; T34-Y133 WeakPolarHBondContact CB-OH 3.03Å; T34-Y133 WeakPolarHBondContact CG2-OH 3.47Å; L35-Y133 HydrophobicContact CB-CD1 4.13Å; L35-Y133 HydrophobicContact CB-CD2 4.42Å; L35-Y133 HydrophobicContact CB-CE1 4.01Å; L35-Y133 HydrophobicContact CB-CE2 4.28Å; L35-Y133 HydrophobicContact CB-CG 4.35Å; L35-Y133 HydrophobicContact CD1-CD1 4.28Å; L35-Y133 HydrophobicContact CD1-CD2 3.75Å; L35-Y133 HydrophobicContact CD1-CE2 4.32Å; L35-Y133 HydrophobicContact CD1-CG 3.73Å; L35-Y133 HydrophobicContact CG-CD2 4.02Å; L35-Y133 HydrophobicContact CG-CE2 4.08Å; L35-Y133 HydrophobicContact CG-CG 4.27Å; L35-Y133 PolarHBondContact N-OH 2.82Å; L36-Y133 HydrophobicContact CB-CE1 4.19Å; L36-Y133 HydrophobicContact CD1-CD1 4.33Å; L36-Y133 HydrophobicContact CD1-CE1 4.37Å; L36-Y133 HydrophobicContact CG-CD1 4.47Å; L36-Y133 HydrophobicContact CG-CE1 4.24Å; E113-Y133 CarbonylContact C-O 3Å; E113-Y133 WeakPolarHBondContact CA-O 3.16Å; V114-Y133 HydrophobicContact CG2-CD1 4.08Å; V114-Y133 HydrophobicContact CG2-CG 4.47Å; V114-Y133 PolarHBondContact N-O 2.83Å; Y133-E135 HydrophobicContact CE1-CB 3.92Å; Y133-E135 PolarHBondContact OH-OE2 3.36Å | ||
| 134 | V | 95.3 | Very high | 90.6 | Very high | 69 Ų | 69 | 74.1 Ų | 74.1 | 42% | 0.418 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 133.2 | 179.2 | -178.3 | 0 | 0 | 0 | 0 | 109 | K111 A112 E113 T136 | K111-V134 HydrophobicContact CD-CG1 3.91Å; K111-V134 HydrophobicContact CG-CG1 3.81Å; A112-V134 WeakPolarHBondContact O-CA 3.29Å; E113-V134 HydrophobicContact CB-CG2 4.12Å; E113-V134 HydrophobicContact CG-CG2 3.87Å; V134-T136 HydrophobicContact CG1-CG2 4.34Å |
| 135 | E | 95.5 | Very high | 89.7 | Confident | 52 Ų | 52 | 79.7 Ų | 79.7 | 24% | 0.243 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 145.5 | 170.6 | -163.8 | 58.3 | -115.5 | 0 | 0 | 109.6 | L38 K111 A112 Y133 | L38-E135 HydrophobicContact CD1-CB 3.74Å; L38-E135 HydrophobicContact CD1-CG 3.65Å; L38-E135 HydrophobicContact CD2-CB 3.97Å; L38-E135 HydrophobicContact CD2-CG 4.02Å; L38-E135 WeakPolarHBondContact CD2-O 2.89Å; L38-E135 HydrophobicContact CG-CB 4.5Å; L38-E135 HydrophobicContact CG-CG 4.32Å; K111-E135 WeakPolarHBondContact CA-O 3.5Å; A112-E135 PolarHBondContact N-O 2.85Å; A112-E135 PolarHBondContact O-N 2.71Å; Y133-E135 HydrophobicContact CE1-CB 3.92Å; Y133-E135 PolarHBondContact OH-OE2 3.36Å |
| 136 | T | 97.2 | Very high | 89.8 | Confident | 63 Ų | 63 | 79.2 Ų | 79.2 | 39% | 0.387 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 150.6 | 178.9 | 62.6 | 0 | 0 | 0 | 0 | 110.9 | G110 K111 V134 | G110-T136 CarbonylContact O-C 3.37Å; G110-T136 VanDerWaalsContact O-CA 3.28Å; G110-T136 WeakPolarHBondContact O-CA 3.1Å; K111-T136 HydrophobicContact CB-CG2 4.25Å; K111-T136 HydrophobicContact CG-CG2 4.07Å; V134-T136 HydrophobicContact CG1-CG2 4.34Å |
| 137 | V | 97.7 | Very high | 90 | Very high | 31 Ų | 31 | 78.4 Ų | 78.4 | 19% | 0.188 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 143.9 | 174.2 | 61.1 | 0 | 0 | 0 | 0 | 108.5 | L38 L40 L55 Q109 G110 | L38-V137 HydrophobicContact CB-CB 3.9Å; L38-V137 HydrophobicContact CB-CG1 3.68Å; L38-V137 HydrophobicContact CD2-CG1 4.09Å; L38-V137 HydrophobicContact CG-CG1 4.45Å; L40-V137 HydrophobicContact CB-CB 4.42Å; L40-V137 HydrophobicContact CB-CG1 3.6Å; L40-V137 HydrophobicContact CB-CG2 3.96Å; L40-V137 HydrophobicContact CD2-CG1 4.32Å; L40-V137 HydrophobicContact CG-CG1 4.49Å; L55-V137 HydrophobicContact CD1-CG1 3.64Å; Q109-V137 CarbonylContact C-O 3.56Å; Q109-V137 WeakPolarHBondContact CA-O 3.44Å; G110-V137 PolarHBondContact N-O 3.31Å; G110-V137 PolarHBondContact O-N 2.86Å |
| 138 | T | 97.7 | Very high | 89.9 | Confident | 85 Ų | 85 | 78.9 Ų | 78.9 | 52% | 0.521 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 148.1 | 178.8 | 57.6 | 0 | 0 | 0 | 0 | 111.1 | V107 L108 Q109 | V107-T138 HydrophobicContact CG1-CG2 4.03Å; L108-T138 CarbonylContact O-C 3.59Å; L108-T138 VanDerWaalsContact O-CA 3.25Å; L108-T138 WeakPolarHBondContact O-CA 3.42Å; Q109-T138 HydrophobicContact CB-CG2 3.95Å; Q109-T138 HydrophobicContact CG-CG2 3.8Å |
| 139 | S | 97.7 | Very high | 90 | Very high | 28 Ų | 28 | 81.1 Ų | 81.1 | 20% | 0.196 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 133.6 | 171.5 | -170.1 | 0 | 0 | 0 | 0 | 109.7 | V107 L108 | V107-S139 WeakPolarHBondContact CA-O 3.05Å; L108-S139 PolarHBondContact N-O 2.97Å; L108-S139 PolarHBondContact O-N 2.66Å |
| 140 | K | 97.4 | Very high | 90.3 | Very high | 171 Ų | 171 | 80 Ų | 80 | 74% | 0.743 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 131.8 | 175.8 | -69.5 | -178.5 | -179.6 | 176.8 | 0 | 108.7 | V107 | V107-K140 HydrophobicContact CG2-CG 4.2Å |
| 141 | I | 95.8 | Very high | 91 | Very high | 3 Ų | 3 | 81.5 Ų | 81.5 | 2% | 0.015 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 122.6 | 175.2 | -48.1 | -178.5 | 0 | 0 | 0 | 107.8 | V42 F51 I100 V102 N105 T106 L108 | V42-I141 HydrophobicContact CG1-CD1 3.87Å; V42-I141 HydrophobicContact CG1-CG1 4.01Å; V42-I141 HydrophobicContact CG1-CG2 4.48Å; V42-I141 HydrophobicContact CG2-CD1 4.29Å; V42-I141 HydrophobicContact CG2-CG1 4.32Å; F51-I141 HydrophobicContact CD1-CG2 4.11Å; F51-I141 HydrophobicContact CD2-CG2 3.94Å; F51-I141 HydrophobicContact CE1-CG2 3.78Å; F51-I141 HydrophobicContact CE2-CG2 3.61Å; F51-I141 HydrophobicContact CG-CG2 4.18Å; F51-I141 HydrophobicContact CZ-CG2 3.52Å; I100-I141 HydrophobicContact CD1-CD1 3.67Å; V102-I141 HydrophobicContact CB-CG2 4.47Å; V102-I141 HydrophobicContact CG1-CG2 4.33Å; V102-I141 HydrophobicContact CG2-CD1 4.14Å; V102-I141 HydrophobicContact CG2-CG2 4.13Å; N105-I141 WeakPolarHBondContact CA-O 3.43Å; T106-I141 HydrophobicContact CG2-CB 4.41Å; T106-I141 PolarHBondContact N-O 2.99Å; T106-I141 PolarHBondContact O-N 3.45Å; L108-I141 HydrophobicContact CB-CD1 3.91Å; L108-I141 HydrophobicContact CB-CG1 4.49Å; L108-I141 HydrophobicContact CD2-CD1 4.43Å |
| 142 | L | 93.4 | Very high | 91.9 | Very high | 125 Ų | 125 | 82.3 Ų | 82.3 | 65% | 0.654 | 46% | 0.461 | S | S | * | . | trans | -106.3 | 122.4 | 176.9 | -58.4 | 178.5 | 0 | 0 | 0 | 108.4 | N105 | N105-L142 HydrophobicContact CB-CD2 4.26Å; N105-L142 WeakPolarHBondContact OD1-CA 3.4Å | ||
| 143 | V | 91.5 | Very high | 92.5 | Very high | 27 Ų | 27 | 81.3 Ų | 81.3 | 16% | 0.164 | 45% | 0.445 | C | S | . | . | trans | -89.5 | 140.1 | 172.5 | -62.5 | 0 | 0 | 0 | 0 | 108.8 | N49 F51 V102 N105 | N49-V143 HydrophobicContact CB-CG1 4.06Å; N49-V143 WeakPolarHBondContact OD1-CB 3.1Å; F51-V143 HydrophobicContact CE2-CG1 4.42Å; V102-V143 HydrophobicContact CB-CG1 3.87Å; V102-V143 HydrophobicContact CG1-CG1 3.63Å; V102-V143 WeakPolarHBondContact O-CG1 3.33Å; N105-V143 WeakPolarHBondContact OD1-CG2 3.42Å; N105-V143 PolarHBondContact OD1-N 3.19Å; N105-V143 PolarHBondContact OD1-O 3.25Å | ||
| 144 | M | 81.3 | Confident | 92.4 | Very high | 156 Ų | 156 | 84.4 Ų | 84.4 | 77% | 0.768 | 47% | 0.468 | S | S | * | . | trans | -81.6 | 141.5 | 173.1 | -61.9 | -171.2 | 94.1 | 0 | 0 | 108.9 | ||||
| 145 | P | 68.9 | Low | 92.2 | Very high | 203 Ų | 203 | 85.8 Ų | 85.8 | 100% | 1.318 | 47% | 0.473 | S | S | * | . | trans | -59.4 | 0 | 174.3 | -18.5 | 29.9 | 0 | 0 | 0 | 113.4 |
Retrieved 145 of 145 residues in 335.6 ms
(Link to these results)