| 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 | 35.8 | Very low | 45 | Very low | 240 Ų | 240 | 130 Ų | 130 | 100% | 1.182 | 68% | 0.68 | S | S | * | * | 0 | 98.5 | 0 | -74.1 | 169.1 | 164.3 | 0 | 0 | 109.2 | |||||
| 2 | N | 45 | Very low | 44.6 | Very low | 143 Ų | 143 | 123.1 Ų | 123.1 | 77% | 0.765 | 65% | 0.65 | S | S | * | * | trans | -170.6 | 57.6 | 159.5 | -111 | -9.7 | 0 | 0 | 0 | 110.8 | N4 | N2-N4 VanDerWaalsContact C-N 3.25Å; N2-N4 PolarHBondContact O-N 3.35Å | ||
| 3 | N | 48.4 | Very low | 44.5 | Very low | 152 Ų | 152 | 120.8 Ų | 120.8 | 81% | 0.813 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 6.5 | -177.6 | -71.1 | -0.2 | 0 | 0 | 0 | 113.8 | ||
| 4 | N | 48 | Very low | 44.9 | Very low | 131 Ų | 131 | 118.3 Ų | 118.3 | 70% | 0.701 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -93.2 | -9.2 | -175.6 | -79 | -7.9 | 0 | 0 | 0 | 115 | N2 | N2-N4 VanDerWaalsContact C-N 3.25Å; N2-N4 PolarHBondContact O-N 3.35Å |
| 5 | S | 49.1 | Very low | 44.9 | Very low | 84 Ų | 84 | 117.2 Ų | 117.2 | 59% | 0.587 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -77.2 | -39.2 | 179.1 | 55.7 | 0 | 0 | 0 | 0 | 112.6 | C7 K8 Q9 | S5-C7 VanDerWaalsContact C-N 3.35Å; S5-C7 PolarHBondContact O-N 3.25Å; S5-K8 PolarHBondContact O-N 3.47Å; S5-Q9 PolarHBondContact O-N 3.43Å |
| 6 | S | 47.6 | Very low | 44.5 | Very low | 66 Ų | 66 | 114.8 Ų | 114.8 | 46% | 0.462 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.5 | -40.1 | 179.8 | -177 | 0 | 0 | 0 | 0 | 112.4 | Q9 Q10 | S6-Q9 PolarHBondContact O-N 3.43Å; S6-Q10 PolarHBondContact O-N 3Å |
| 7 | C | 39.5 | Very low | 44.6 | Very low | 75 Ų | 75 | 118.9 Ų | 118.9 | 51% | 0.507 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.9 | -43.1 | -178 | -166.6 | 0 | 0 | 0 | 0 | 112.1 | S5 Q9 Q10 Q11 | S5-C7 VanDerWaalsContact C-N 3.35Å; S5-C7 PolarHBondContact O-N 3.25Å; C7-Q9 VanDerWaalsContact C-N 3.3Å; C7-Q9 PolarHBondContact O-N 3.01Å; C7-Q10 PolarHBondContact O-N 2.98Å; C7-Q11 WeakPolarHBondContact O-CB 3.32Å; C7-Q11 PolarHBondContact O-N 3.46Å |
| 8 | K | 45.5 | Very low | 44.9 | Very low | 162 Ų | 162 | 116.7 Ų | 116.7 | 70% | 0.704 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.2 | -32.9 | 175.1 | -72.4 | -174 | 177.4 | -178.8 | 0 | 112.7 | S5 C12 | S5-K8 PolarHBondContact O-N 3.47Å; K8-C12 VanDerWaalsContact O-CB 3.27Å; K8-C12 WeakPolarHBondContact O-CB 3.27Å; K8-C12 PolarHBondContact O-N 3Å |
| 9 | Q | 42 | Very low | 44.8 | Very low | 136 Ų | 136 | 117.3 Ų | 117.3 | 64% | 0.636 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -73.6 | -41.8 | -179.9 | -151.6 | 168.5 | 5.5 | 0 | 0 | 111.5 | S5 S6 C7 C12 L13 | S5-Q9 PolarHBondContact O-N 3.43Å; S6-Q9 PolarHBondContact O-N 3.43Å; C7-Q9 VanDerWaalsContact C-N 3.3Å; C7-Q9 PolarHBondContact O-N 3.01Å; Q9-C12 PolarHBondContact O-N 3.39Å; Q9-L13 WeakPolarHBondContact O-CG 3.37Å; Q9-L13 PolarHBondContact O-N 3.25Å |
| 10 | Q | 45.4 | Very low | 44.7 | Very low | 123 Ų | 123 | 113.6 Ų | 113.6 | 58% | 0.575 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.3 | -43.2 | 172.2 | -81.2 | 176.4 | -31.9 | 0 | 0 | 112.2 | S6 C7 C12 L13 V14 | S6-Q10 PolarHBondContact O-N 3Å; C7-Q10 PolarHBondContact O-N 2.98Å; Q10-C12 VanDerWaalsContact C-N 3.32Å; Q10-C12 PolarHBondContact O-N 3.13Å; Q10-L13 WeakPolarHBondContact O-CB 3.08Å; Q10-L13 PolarHBondContact O-N 2.93Å; Q10-L13 VanDerWaalsContact O-N 3.13Å; Q10-V14 WeakPolarHBondContact O-CG2 3.47Å; Q10-V14 PolarHBondContact O-N 2.94Å |
| 11 | Q | 48.7 | Very low | 44.9 | Very low | 118 Ų | 118 | 115.2 Ų | 115.2 | 55% | 0.551 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.5 | -40.8 | 177.1 | -160.6 | 168.9 | 9.5 | 0 | 0 | 111.4 | C7 L13 V14 E15 | C7-Q11 WeakPolarHBondContact O-CB 3.32Å; C7-Q11 PolarHBondContact O-N 3.46Å; Q11-L13 PolarHBondContact O-N 3.44Å; Q11-V14 PolarHBondContact O-N 3.29Å; Q11-E15 WeakPolarHBondContact O-CB 3.48Å; Q11-E15 WeakPolarHBondContact O-CG 3.34Å; Q11-E15 PolarHBondContact O-N 3.45Å |
| 12 | C | 40.5 | Very low | 45.5 | Very low | 47 Ų | 47 | 109.3 Ų | 109.3 | 32% | 0.318 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 172.9 | -168.1 | 0 | 0 | 0 | 0 | 112.3 | K8 Q9 Q10 R16 | K8-C12 VanDerWaalsContact O-CB 3.27Å; K8-C12 WeakPolarHBondContact O-CB 3.27Å; K8-C12 PolarHBondContact O-N 3Å; Q9-C12 PolarHBondContact O-N 3.39Å; Q10-C12 VanDerWaalsContact C-N 3.32Å; Q10-C12 PolarHBondContact O-N 3.13Å; C12-R16 WeakPolarHBondContact O-CB 3.43Å; C12-R16 VanDerWaalsContact O-CD 3.31Å; C12-R16 WeakPolarHBondContact O-CD 3.31Å; C12-R16 WeakPolarHBondContact O-CG 3.5Å; C12-R16 PolarHBondContact O-N 3.45Å; C12-R16 PolarHBondContact SG-NE 3.26Å |
| 13 | L | 43 | Very low | 45.5 | Very low | 94 Ų | 94 | 104.7 Ų | 104.7 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.3 | -38.5 | 175.8 | -71.7 | 170.7 | 0 | 0 | 0 | 112.9 | Q9 Q10 Q11 R16 R17 | Q9-L13 WeakPolarHBondContact O-CG 3.37Å; Q9-L13 PolarHBondContact O-N 3.25Å; Q10-L13 WeakPolarHBondContact O-CB 3.08Å; Q10-L13 PolarHBondContact O-N 2.93Å; Q10-L13 VanDerWaalsContact O-N 3.13Å; Q11-L13 PolarHBondContact O-N 3.44Å; L13-R16 PolarHBondContact O-N 2.91Å; L13-R17 PolarHBondContact O-N 2.91Å |
| 14 | V | 49.8 | Very low | 45.4 | Very low | 85 Ų | 85 | 101 Ų | 101 | 52% | 0.515 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.5 | -45.1 | 176 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | Q10 Q11 R16 R17 N18 | Q10-V14 WeakPolarHBondContact O-CG2 3.47Å; Q10-V14 PolarHBondContact O-N 2.94Å; Q11-V14 PolarHBondContact O-N 3.29Å; V14-R16 VanDerWaalsContact C-N 3.3Å; V14-R16 PolarHBondContact O-N 3.41Å; V14-R17 PolarHBondContact O-N 3.31Å; V14-N18 WeakPolarHBondContact O-CB 3.35Å; V14-N18 PolarHBondContact O-N 2.98Å |
| 15 | E | 45 | Very low | 45.4 | Very low | 102 Ų | 102 | 103.5 Ų | 103.5 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.2 | -41 | 173.3 | -77.8 | -175.9 | 176.6 | 0 | 0 | 111.9 | Q11 N18 R19 | Q11-E15 WeakPolarHBondContact O-CB 3.48Å; Q11-E15 WeakPolarHBondContact O-CG 3.34Å; Q11-E15 PolarHBondContact O-N 3.45Å; E15-N18 PolarHBondContact O-N 3.36Å; E15-R19 WeakPolarHBondContact O-CB 3.49Å; E15-R19 WeakPolarHBondContact O-CG 3.31Å; E15-R19 PolarHBondContact O-N 2.9Å |
| 16 | R | 38.6 | Very low | 45.3 | Very low | 79 Ų | 79 | 107.9 Ų | 107.9 | 30% | 0.298 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 175.2 | -76.2 | 164.5 | -169.6 | -142.4 | 14.5 | 112.3 | C12 L13 V14 N18 R19 C20 E65 | C12-R16 WeakPolarHBondContact O-CB 3.43Å; C12-R16 VanDerWaalsContact O-CD 3.31Å; C12-R16 WeakPolarHBondContact O-CD 3.31Å; C12-R16 WeakPolarHBondContact O-CG 3.5Å; C12-R16 PolarHBondContact O-N 3.45Å; C12-R16 PolarHBondContact SG-NE 3.26Å; L13-R16 PolarHBondContact O-N 2.91Å; V14-R16 VanDerWaalsContact C-N 3.3Å; V14-R16 PolarHBondContact O-N 3.41Å; R16-N18 VanDerWaalsContact C-N 3.31Å; R16-N18 PolarHBondContact O-N 2.83Å; R16-R19 PolarHBondContact O-N 2.9Å; R16-C20 WeakPolarHBondContact O-CB 3.45Å; R16-C20 PolarHBondContact O-N 3.44Å; R16-E65 VanDerWaalsContact CD-OE1 3.31Å; R16-E65 WeakPolarHBondContact CD-OE1 3.12Å; R16-E65 IonicContact CZ-OE1 3.67Å; R16-E65 IonicContact NE-OE1 3.75Å; R16-E65 IonicContact NH1-OE1 2.9Å; R16-E65 PolarHBondContact NH1-OE1 3.43Å |
| 17 | R | 47.2 | Very low | 45.4 | Very low | 184 Ų | 184 | 105.7 Ų | 105.7 | 69% | 0.694 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.3 | -40.6 | 175.7 | -79.7 | -175.8 | -177.8 | 171.9 | 1.3 | 111.6 | L13 V14 C20 R21 | L13-R17 PolarHBondContact O-N 2.91Å; V14-R17 PolarHBondContact O-N 3.31Å; R17-C20 PolarHBondContact O-N 3.32Å; R17-R21 WeakPolarHBondContact O-CB 3.34Å; R17-R21 WeakPolarHBondContact O-CG 3.47Å; R17-R21 PolarHBondContact O-N 2.85Å |
| 18 | N | 48.6 | Very low | 45.8 | Very low | 79 Ų | 79 | 108.3 Ų | 108.3 | 42% | 0.422 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.1 | -43.6 | 177.7 | -80.1 | -14.7 | 0 | 0 | 0 | 112.1 | V14 E15 R16 R21 Q22 | V14-N18 WeakPolarHBondContact O-CB 3.35Å; V14-N18 PolarHBondContact O-N 2.98Å; E15-N18 PolarHBondContact O-N 3.36Å; R16-N18 VanDerWaalsContact C-N 3.31Å; R16-N18 PolarHBondContact O-N 2.83Å; N18-R21 PolarHBondContact O-N 2.8Å; N18-Q22 WeakPolarHBondContact O-CB 3.42Å; N18-Q22 WeakPolarHBondContact O-CG 3.35Å; N18-Q22 PolarHBondContact O-N 3.28Å |
| 19 | R | 43.9 | Very low | 45.9 | Very low | 129 Ų | 129 | 103.8 Ų | 103.8 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 173.8 | -74.8 | -176.1 | -174.4 | -172.5 | 3.3 | 112 | E15 R16 Q22 L23 | E15-R19 WeakPolarHBondContact O-CB 3.49Å; E15-R19 WeakPolarHBondContact O-CG 3.31Å; E15-R19 PolarHBondContact O-N 2.9Å; R16-R19 PolarHBondContact O-N 2.9Å; R19-Q22 PolarHBondContact O-N 3.08Å; R19-L23 VanDerWaalsContact O-CB 3.31Å; R19-L23 WeakPolarHBondContact O-CB 3.47Å; R19-L23 VanDerWaalsContact O-CG 3.29Å; R19-L23 WeakPolarHBondContact O-CG 3.38Å; R19-L23 PolarHBondContact O-N 3.38Å |
| 20 | C | 42.5 | Very low | 46.3 | Very low | 42 Ų | 42 | 100.1 Ų | 100.1 | 28% | 0.284 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 174 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | R16 R17 L23 Q24 | R16-C20 WeakPolarHBondContact O-CB 3.45Å; R16-C20 PolarHBondContact O-N 3.44Å; R17-C20 PolarHBondContact O-N 3.32Å; C20-L23 PolarHBondContact O-N 3.1Å; C20-Q24 WeakPolarHBondContact O-CB 3.4Å; C20-Q24 WeakPolarHBondContact O-CG 3.39Å; C20-Q24 PolarHBondContact O-N 2.98Å |
| 21 | R | 49.6 | Very low | 46.4 | Very low | 148 Ų | 148 | 95.8 Ų | 95.8 | 56% | 0.558 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.7 | -40.8 | 175.3 | -76 | 176.5 | -179.9 | 179.8 | -1.5 | 112.1 | R17 N18 Q24 R25 | R17-R21 WeakPolarHBondContact O-CB 3.34Å; R17-R21 WeakPolarHBondContact O-CG 3.47Å; R17-R21 PolarHBondContact O-N 2.85Å; N18-R21 PolarHBondContact O-N 2.8Å; R21-Q24 PolarHBondContact O-N 3.02Å; R21-R25 WeakPolarHBondContact O-CG 3.33Å; R21-R25 PolarHBondContact O-N 3.19Å |
| 22 | Q | 47.3 | Very low | 46.4 | Very low | 117 Ų | 117 | 95.9 Ų | 95.9 | 55% | 0.547 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.7 | -42 | 174.7 | -77.9 | 177.9 | -11.7 | 0 | 0 | 111 | N18 R19 R25 W26 | N18-Q22 WeakPolarHBondContact O-CB 3.42Å; N18-Q22 WeakPolarHBondContact O-CG 3.35Å; N18-Q22 PolarHBondContact O-N 3.28Å; R19-Q22 PolarHBondContact O-N 3.08Å; Q22-R25 PolarHBondContact O-N 2.68Å; Q22-W26 VanDerWaalsContact O-CB 3.32Å; Q22-W26 WeakPolarHBondContact O-CB 3.4Å; Q22-W26 PolarHBondContact O-N 2.81Å |
| 23 | L | 45.3 | Very low | 46.5 | Very low | 45 Ų | 45 | 100.5 Ų | 100.5 | 24% | 0.236 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -67.4 | -34.5 | 173.9 | -76 | 167.7 | 0 | 0 | 0 | 112.2 | R19 C20 N27 V79 L96 | R19-L23 VanDerWaalsContact O-CB 3.31Å; R19-L23 WeakPolarHBondContact O-CB 3.47Å; R19-L23 VanDerWaalsContact O-CG 3.29Å; R19-L23 WeakPolarHBondContact O-CG 3.38Å; R19-L23 PolarHBondContact O-N 3.38Å; C20-L23 PolarHBondContact O-N 3.1Å; L23-N27 WeakPolarHBondContact O-CB 3.34Å; L23-N27 VanDerWaalsContact O-CG 3.3Å; L23-N27 PolarHBondContact O-N 3.31Å; L23-N27 PolarHBondContact O-ND2 2.74Å; L23-V79 HydrophobicContact CD1-CG2 4.09Å; L23-V79 HydrophobicContact CD2-CG2 4.5Å; L23-L96 HydrophobicContact CD1-CD1 3.81Å; L23-L96 HydrophobicContact CD2-CD1 4.02Å |
| 24 | Q | 46 | Very low | 46.6 | Very low | 74 Ų | 74 | 100.1 Ų | 100.1 | 35% | 0.346 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | 171.9 | -78.9 | 178.2 | -18.4 | 0 | 0 | 111.6 | C20 R21 K28 C63 | C20-Q24 WeakPolarHBondContact O-CB 3.4Å; C20-Q24 WeakPolarHBondContact O-CG 3.39Å; C20-Q24 PolarHBondContact O-N 2.98Å; R21-Q24 PolarHBondContact O-N 3.02Å; Q24-K28 WeakPolarHBondContact O-CB 3.32Å; Q24-K28 VanDerWaalsContact O-CG 3.3Å; Q24-K28 WeakPolarHBondContact O-CG 3.29Å; Q24-K28 PolarHBondContact O-N 3.28Å; Q24-C63 WeakPolarHBondContact CG-SG 3.36Å |
| 25 | R | 49.1 | Very low | 46.4 | Very low | 184 Ų | 184 | 97 Ų | 97 | 69% | 0.694 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -67.3 | -47.3 | 174.2 | -72.7 | 177.4 | -177.1 | 178.3 | -0.6 | 111 | R21 Q22 K28 S29 | R21-R25 WeakPolarHBondContact O-CG 3.33Å; R21-R25 PolarHBondContact O-N 3.19Å; Q22-R25 PolarHBondContact O-N 2.68Å; R25-K28 PolarHBondContact O-N 3.34Å; R25-S29 WeakPolarHBondContact O-CB 3.31Å; R25-S29 PolarHBondContact O-N 2.92Å; R25-S29 PolarHBondContact O-OG 2.93Å |
| 26 | W | 46.7 | Very low | 46.5 | Very low | 177 Ų | 177 | 94 Ų | 94 | 67% | 0.67 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -58.6 | -48.7 | 175.2 | -102.6 | 84.4 | 0 | 0 | 0 | 110.8 | Q22 K28 S29 L30 | Q22-W26 VanDerWaalsContact O-CB 3.32Å; Q22-W26 WeakPolarHBondContact O-CB 3.4Å; Q22-W26 PolarHBondContact O-N 2.81Å; W26-K28 PolarHBondContact O-N 3.08Å; W26-S29 CarbonylContact O-C 3.48Å; W26-S29 PolarHBondContact O-N 3.27Å; W26-L30 HydrophobicContact CE3-CD1 3.97Å; W26-L30 HydrophobicContact CZ3-CD1 4.01Å; W26-L30 WeakPolarHBondContact O-CA 3.25Å; W26-L30 WeakPolarHBondContact O-CB 3.28Å; W26-L30 PolarHBondContact O-N 3.25Å |
| 27 | N | 50 | Low | 46.5 | Very low | 20 Ų | 20 | 96.2 Ų | 96.2 | 11% | 0.107 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -66.5 | -36.5 | 177.3 | -77.9 | -56.9 | 0 | 0 | 0 | 112.2 | L23 L30 L31 V79 | L23-N27 WeakPolarHBondContact O-CB 3.34Å; L23-N27 VanDerWaalsContact O-CG 3.3Å; L23-N27 PolarHBondContact O-N 3.31Å; L23-N27 PolarHBondContact O-ND2 2.74Å; N27-L30 PolarHBondContact O-N 2.79Å; N27-L31 HydrophobicContact CB-CD1 4.46Å; N27-L31 WeakPolarHBondContact O-CA 3.49Å; N27-L31 WeakPolarHBondContact O-CB 3.4Å; N27-L31 VanDerWaalsContact O-CD1 3.31Å; N27-L31 WeakPolarHBondContact O-CD1 3.25Å; N27-L31 WeakPolarHBondContact O-CG 3.16Å; N27-L31 PolarHBondContact O-N 3.13Å; N27-V79 WeakPolarHBondContact ND2-CG1 3.45Å |
| 28 | K | 46.7 | Very low | 46.3 | Very low | 130 Ų | 130 | 92.9 Ų | 92.9 | 57% | 0.565 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.3 | -47.4 | 170.9 | -81.3 | -177.4 | 176.8 | -170.3 | 0 | 110.7 | Q24 R25 W26 L30 V32 L61 | Q24-K28 WeakPolarHBondContact O-CB 3.32Å; Q24-K28 VanDerWaalsContact O-CG 3.3Å; Q24-K28 WeakPolarHBondContact O-CG 3.29Å; Q24-K28 PolarHBondContact O-N 3.28Å; R25-K28 PolarHBondContact O-N 3.34Å; W26-K28 PolarHBondContact O-N 3.08Å; K28-L30 PolarHBondContact O-N 2.96Å; K28-V32 VanDerWaalsContact O-CB 3.23Å; K28-V32 WeakPolarHBondContact O-CB 3.44Å; K28-V32 WeakPolarHBondContact O-CG2 3.22Å; K28-V32 PolarHBondContact O-N 3.4Å; K28-L61 HydrophobicContact CG-CD1 3.96Å |
| 29 | S | 48.1 | Very low | 46.2 | Very low | 66 Ų | 66 | 91.1 Ų | 91.1 | 46% | 0.462 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64 | -38.4 | 176 | -65.6 | 0 | 0 | 0 | 0 | 112.3 | R25 W26 V32 L33 | R25-S29 WeakPolarHBondContact O-CB 3.31Å; R25-S29 PolarHBondContact O-N 2.92Å; R25-S29 PolarHBondContact O-OG 2.93Å; W26-S29 CarbonylContact O-C 3.48Å; W26-S29 PolarHBondContact O-N 3.27Å; S29-V32 PolarHBondContact O-N 2.82Å; S29-L33 WeakPolarHBondContact O-CA 3.3Å; S29-L33 WeakPolarHBondContact O-CB 3.18Å; S29-L33 WeakPolarHBondContact O-CD1 3.43Å; S29-L33 WeakPolarHBondContact O-CG 3.32Å; S29-L33 PolarHBondContact O-N 3.36Å |
| 30 | L | 49.5 | Very low | 46.1 | Very low | 60 Ų | 60 | 85.6 Ų | 85.6 | 31% | 0.314 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -76.2 | -38.3 | -178.1 | -153.6 | 107 | 0 | 0 | 0 | 110.7 | W26 N27 K28 L33 L34 | W26-L30 HydrophobicContact CE3-CD1 3.97Å; W26-L30 HydrophobicContact CZ3-CD1 4.01Å; W26-L30 WeakPolarHBondContact O-CA 3.25Å; W26-L30 WeakPolarHBondContact O-CB 3.28Å; W26-L30 PolarHBondContact O-N 3.25Å; N27-L30 PolarHBondContact O-N 2.79Å; K28-L30 PolarHBondContact O-N 2.96Å; L30-L33 PolarHBondContact O-N 3.48Å; L30-L34 HydrophobicContact CD2-CD1 3.41Å; L30-L34 VanDerWaalsContact CD2-CD1 3.41Å; L30-L34 HydrophobicContact CD2-CG 4.4Å; L30-L34 HydrophobicContact CG-CD1 3.68Å; L30-L34 HydrophobicContact CG-CG 4.14Å; L30-L34 WeakPolarHBondContact O-CA 3.31Å; L30-L34 WeakPolarHBondContact O-CB 3.08Å; L30-L34 WeakPolarHBondContact O-CG 3.22Å; L30-L34 PolarHBondContact O-N 3.25Å |
| 31 | L | 49.3 | Very low | 46 | Very low | 32 Ų | 32 | 88.4 Ų | 88.4 | 17% | 0.168 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.4 | -37.3 | 172 | -75.3 | 165.4 | 0 | 0 | 0 | 111 | N27 G35 V36 L61 V81 | N27-L31 HydrophobicContact CB-CD1 4.46Å; N27-L31 WeakPolarHBondContact O-CA 3.49Å; N27-L31 WeakPolarHBondContact O-CB 3.4Å; N27-L31 VanDerWaalsContact O-CD1 3.31Å; N27-L31 WeakPolarHBondContact O-CD1 3.25Å; N27-L31 WeakPolarHBondContact O-CG 3.16Å; N27-L31 PolarHBondContact O-N 3.13Å; L31-G35 CarbonylContact O-C 3.38Å; L31-G35 PolarHBondContact O-N 2.89Å; L31-V36 HydrophobicContact CB-CG2 3.6Å; L31-V36 HydrophobicContact CD2-CG2 3.83Å; L31-V36 HydrophobicContact CG-CG2 4.28Å; L31-V36 WeakPolarHBondContact O-CG2 3.04Å; L31-V36 PolarHBondContact O-N 3.17Å; L31-L61 HydrophobicContact CD1-CD1 4.14Å; L31-L61 HydrophobicContact CD1-CD2 3.8Å; L31-V81 HydrophobicContact CD1-CG1 4.39Å |
| 32 | V | 47 | Very low | 45.6 | Very low | 120 Ų | 120 | 89.8 Ų | 89.8 | 73% | 0.727 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -69.2 | -46 | 172.2 | 169.5 | 0 | 0 | 0 | 0 | 111 | K28 S29 G35 | K28-V32 VanDerWaalsContact O-CB 3.23Å; K28-V32 WeakPolarHBondContact O-CB 3.44Å; K28-V32 WeakPolarHBondContact O-CG2 3.22Å; K28-V32 PolarHBondContact O-N 3.4Å; S29-V32 PolarHBondContact O-N 2.82Å; V32-G35 PolarHBondContact O-N 2.87Å |
| 33 | L | 42.7 | Very low | 45.2 | Very low | 144 Ų | 144 | 85.5 Ų | 85.5 | 75% | 0.754 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -71.5 | -40.6 | -177.2 | -79.9 | 165.6 | 0 | 0 | 0 | 113 | S29 L30 G35 | S29-L33 WeakPolarHBondContact O-CA 3.3Å; S29-L33 WeakPolarHBondContact O-CB 3.18Å; S29-L33 WeakPolarHBondContact O-CD1 3.43Å; S29-L33 WeakPolarHBondContact O-CG 3.32Å; S29-L33 PolarHBondContact O-N 3.36Å; L30-L33 PolarHBondContact O-N 3.48Å; L33-G35 PolarHBondContact O-N 2.74Å |
| 34 | L | 46.4 | Very low | 44.8 | Very low | 85 Ų | 85 | 86.4 Ų | 86.4 | 45% | 0.445 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -4.4 | 177.6 | -66.9 | 172.3 | 0 | 0 | 0 | 111.9 | L30 Q38 V39 | L30-L34 HydrophobicContact CD2-CD1 3.41Å; L30-L34 VanDerWaalsContact CD2-CD1 3.41Å; L30-L34 HydrophobicContact CD2-CG 4.4Å; L30-L34 HydrophobicContact CG-CD1 3.68Å; L30-L34 HydrophobicContact CG-CG 4.14Å; L30-L34 WeakPolarHBondContact O-CA 3.31Å; L30-L34 WeakPolarHBondContact O-CB 3.08Å; L30-L34 WeakPolarHBondContact O-CG 3.22Å; L30-L34 PolarHBondContact O-N 3.25Å; L34-Q38 WeakPolarHBondContact O-CB 3.23Å; L34-V39 HydrophobicContact CB-CG2 3.57Å; L34-V39 HydrophobicContact CD1-CG2 4.19Å; L34-V39 HydrophobicContact CG-CG2 4.44Å |
| 35 | G | 43.8 | Very low | 44.4 | Very low | 20 Ų | 20 | 89.4 Ų | 89.4 | 21% | 0.206 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 100.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | L31 V32 L33 E37 Q38 V39 | L31-G35 CarbonylContact O-C 3.38Å; L31-G35 PolarHBondContact O-N 2.89Å; V32-G35 PolarHBondContact O-N 2.87Å; L33-G35 PolarHBondContact O-N 2.74Å; G35-E37 CarbonylContact O-C 3.49Å; G35-E37 PolarHBondContact O-N 2.95Å; G35-Q38 WeakPolarHBondContact O-CA 3.07Å; G35-Q38 PolarHBondContact O-N 3.32Å; G35-V39 PolarHBondContact O-N 2.64Å |
| 36 | V | 47.3 | Very low | 43.7 | Very low | 39 Ų | 39 | 88.1 Ų | 88.1 | 24% | 0.236 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -46.4 | -35.6 | 174.9 | -175.7 | 0 | 0 | 0 | 0 | 111.1 | L31 C40 I83 | L31-V36 HydrophobicContact CB-CG2 3.6Å; L31-V36 HydrophobicContact CD2-CG2 3.83Å; L31-V36 HydrophobicContact CG-CG2 4.28Å; L31-V36 WeakPolarHBondContact O-CG2 3.04Å; L31-V36 PolarHBondContact O-N 3.17Å; V36-C40 WeakPolarHBondContact O-CB 3.48Å; V36-C40 PolarHBondContact O-N 2.81Å; V36-C40 PolarHBondContact O-SG 3.43Å; V36-I83 HydrophobicContact CG1-CD1 4.45Å |
| 37 | E | 39.4 | Very low | 43 | Very low | 125 Ų | 125 | 80.8 Ų | 80.8 | 58% | 0.584 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -58.7 | -52 | 167.8 | -85.9 | -171.9 | 135.4 | 0 | 0 | 114.5 | G35 V39 C40 Q41 L55 | G35-E37 CarbonylContact O-C 3.49Å; G35-E37 PolarHBondContact O-N 2.95Å; E37-V39 PolarHBondContact O-N 2.84Å; E37-C40 CarbonylContact O-C 3.53Å; E37-C40 PolarHBondContact O-N 3.19Å; E37-Q41 WeakPolarHBondContact O-CA 3.48Å; E37-Q41 WeakPolarHBondContact O-CB 3.14Å; E37-Q41 PolarHBondContact O-N 2.9Å; E37-L55 HydrophobicContact CG-CD1 4.19Å |
| 38 | Q | 43.5 | Very low | 42.2 | Very low | 115 Ų | 115 | 86.2 Ų | 86.2 | 54% | 0.537 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.7 | -35.3 | -177.8 | -59.5 | 178 | 10.1 | 0 | 0 | 112.7 | L34 G35 R42 | L34-Q38 WeakPolarHBondContact O-CB 3.23Å; G35-Q38 WeakPolarHBondContact O-CA 3.07Å; G35-Q38 PolarHBondContact O-N 3.32Å; Q38-R42 WeakPolarHBondContact O-CB 3.18Å; Q38-R42 WeakPolarHBondContact O-CG 3.07Å; Q38-R42 PolarHBondContact O-N 2.81Å |
| 39 | V | 47 | Very low | 41.5 | Very low | 42 Ų | 42 | 82 Ų | 82 | 26% | 0.255 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66 | -50.6 | 172.6 | 176.2 | 0 | 0 | 0 | 0 | 109.3 | L34 G35 E37 Q41 R42 L43 | L34-V39 HydrophobicContact CB-CG2 3.57Å; L34-V39 HydrophobicContact CD1-CG2 4.19Å; L34-V39 HydrophobicContact CG-CG2 4.44Å; G35-V39 PolarHBondContact O-N 2.64Å; E37-V39 PolarHBondContact O-N 2.84Å; V39-Q41 VanDerWaalsContact C-N 3.3Å; V39-Q41 PolarHBondContact O-N 3.09Å; V39-R42 PolarHBondContact O-N 2.72Å; V39-L43 HydrophobicContact CG1-CD1 3.64Å; V39-L43 WeakPolarHBondContact O-CB 3.14Å; V39-L43 WeakPolarHBondContact O-CD1 3.21Å; V39-L43 WeakPolarHBondContact O-CG 3.04Å; V39-L43 PolarHBondContact O-N 3.19Å |
| 40 | C | 41.2 | Very low | 40.5 | Very low | 12 Ų | 12 | 87.9 Ų | 87.9 | 8% | 0.081 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -58.4 | -41.9 | 175.3 | -68.8 | 0 | 0 | 0 | 0 | 111.6 | V36 E37 L43 F44 | V36-C40 WeakPolarHBondContact O-CB 3.48Å; V36-C40 PolarHBondContact O-N 2.81Å; V36-C40 PolarHBondContact O-SG 3.43Å; E37-C40 CarbonylContact O-C 3.53Å; E37-C40 PolarHBondContact O-N 3.19Å; C40-L43 CarbonylContact O-C 3.53Å; C40-L43 WeakPolarHBondContact O-CA 3.07Å; C40-L43 WeakPolarHBondContact O-CB 3.47Å; C40-L43 PolarHBondContact O-N 3.05Å; C40-L43 VanDerWaalsContact O-N 3.15Å; C40-F44 HydrophobicContact CB-CD2 4.2Å; C40-F44 HydrophobicContact CB-CE2 4.15Å; C40-F44 WeakPolarHBondContact O-CB 3.22Å; C40-F44 WeakPolarHBondContact O-CD2 3.45Å; C40-F44 PolarHBondContact O-N 2.95Å |
| 41 | Q | 39.1 | Very low | 39.4 | Very low | 101 Ų | 101 | 92.6 Ų | 92.6 | 47% | 0.472 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.4 | -45.2 | -176.7 | -168.9 | 172.2 | 13.8 | 0 | 0 | 111 | E37 V39 L43 F44 E45 | E37-Q41 WeakPolarHBondContact O-CA 3.48Å; E37-Q41 WeakPolarHBondContact O-CB 3.14Å; E37-Q41 PolarHBondContact O-N 2.9Å; V39-Q41 VanDerWaalsContact C-N 3.3Å; V39-Q41 PolarHBondContact O-N 3.09Å; Q41-L43 PolarHBondContact O-N 2.74Å; Q41-F44 CarbonylContact O-C 3.55Å; Q41-F44 PolarHBondContact O-N 3.43Å; Q41-F44 VanDerWaalsContact O-N 3.16Å; Q41-E45 WeakPolarHBondContact O-CB 3.06Å; Q41-E45 VanDerWaalsContact O-CG 3.3Å; Q41-E45 WeakPolarHBondContact O-CG 3.35Å; Q41-E45 PolarHBondContact O-N 2.92Å |
| 42 | R | 42.3 | Very low | 38.4 | Very low | 177 Ų | 177 | 93.8 Ų | 93.8 | 67% | 0.668 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.3 | -31.5 | 170.7 | -74.6 | -172.7 | -173.7 | -178.7 | 4.1 | 112.5 | Q38 V39 H46 | Q38-R42 WeakPolarHBondContact O-CB 3.18Å; Q38-R42 WeakPolarHBondContact O-CG 3.07Å; Q38-R42 PolarHBondContact O-N 2.81Å; V39-R42 PolarHBondContact O-N 2.72Å; R42-H46 PolarHBondContact O-CD2 3.26Å; R42-H46 PolarHBondContact O-N 2.95Å |
| 43 | L | 39.9 | Very low | 37.4 | Very low | 27 Ų | 27 | 93.8 Ų | 93.8 | 14% | 0.141 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -73.6 | -35.9 | 174.9 | -67.4 | 157.4 | 0 | 0 | 0 | 112.1 | V39 C40 Q41 S47 L118 V120 M125 | V39-L43 HydrophobicContact CG1-CD1 3.64Å; V39-L43 WeakPolarHBondContact O-CB 3.14Å; V39-L43 WeakPolarHBondContact O-CD1 3.21Å; V39-L43 WeakPolarHBondContact O-CG 3.04Å; V39-L43 PolarHBondContact O-N 3.19Å; C40-L43 CarbonylContact O-C 3.53Å; C40-L43 WeakPolarHBondContact O-CA 3.07Å; C40-L43 WeakPolarHBondContact O-CB 3.47Å; C40-L43 PolarHBondContact O-N 3.05Å; C40-L43 VanDerWaalsContact O-N 3.15Å; Q41-L43 PolarHBondContact O-N 2.74Å; L43-S47 WeakPolarHBondContact O-CB 3.32Å; L43-S47 PolarHBondContact O-N 3.17Å; L43-S47 VanDerWaalsContact O-N 3.13Å; L43-S47 PolarHBondContact O-OG 2.73Å; L43-L118 HydrophobicContact CD2-CD2 3.64Å; L43-V120 HydrophobicContact CD2-CG2 4.08Å; L43-M125 HydrophobicContact CD1-CE 3.27Å; L43-M125 HydrophobicContact CD1-SD 3.52Å; L43-M125 VanDerWaalsContact CD1-SD 3.52Å; L43-M125 HydrophobicContact CD2-CE 3.39Å; L43-M125 HydrophobicContact CD2-SD 3.89Å; L43-M125 HydrophobicContact CG-CE 3.95Å; L43-M125 HydrophobicContact CG-SD 4.28Å |
| 44 | F | 35.4 | Very low | 36.6 | Very low | 64 Ų | 64 | 90.8 Ų | 90.8 | 28% | 0.281 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -73.5 | -31.2 | 173.5 | -79.3 | -67.8 | 0 | 0 | 0 | 112 | C40 Q41 W49 C85 | C40-F44 HydrophobicContact CB-CD2 4.2Å; C40-F44 HydrophobicContact CB-CE2 4.15Å; C40-F44 WeakPolarHBondContact O-CB 3.22Å; C40-F44 WeakPolarHBondContact O-CD2 3.45Å; C40-F44 PolarHBondContact O-N 2.95Å; Q41-F44 CarbonylContact O-C 3.55Å; Q41-F44 PolarHBondContact O-N 3.43Å; Q41-F44 VanDerWaalsContact O-N 3.16Å; F44-W49 HydrophobicContact CD1-CB 3.77Å; F44-W49 HydrophobicContact CE1-CB 3.94Å; F44-C85 HydrophobicContact CZ-CB 4.38Å |
| 45 | E | 37 | Very low | 35.7 | Very low | 137 Ų | 137 | 91.8 Ų | 91.8 | 64% | 0.64 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -68.3 | -35 | 174 | -77.7 | 170.2 | -178.6 | 0 | 0 | 112 | Q41 | Q41-E45 WeakPolarHBondContact O-CB 3.06Å; Q41-E45 VanDerWaalsContact O-CG 3.3Å; Q41-E45 WeakPolarHBondContact O-CG 3.35Å; Q41-E45 PolarHBondContact O-N 2.92Å |
| 46 | H | 35.5 | Very low | 35 | Very low | 158 Ų | 158 | 96.3 Ų | 96.3 | 73% | 0.731 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -90.3 | -10.9 | 179.8 | -85 | -68.6 | 0 | 0 | 0 | 114.9 | R42 | R42-H46 PolarHBondContact O-CD2 3.26Å; R42-H46 PolarHBondContact O-N 2.95Å |
| 47 | S | 32 | Very low | 34.3 | Very low | 23 Ų | 23 | 100.2 Ų | 100.2 | 16% | 0.161 | 52% | 0.518 | C | S | . | . | S | Bend | trans | -112.4 | 144.7 | 179.5 | 70.4 | 0 | 0 | 0 | 0 | 108.6 | L43 W49 | L43-S47 WeakPolarHBondContact O-CB 3.32Å; L43-S47 PolarHBondContact O-N 3.17Å; L43-S47 VanDerWaalsContact O-N 3.13Å; L43-S47 PolarHBondContact O-OG 2.73Å; S47-W49 PolarHBondContact O-N 3.39Å |
| 48 | T | 32.7 | Very low | 34.5 | Very low | 134 Ų | 134 | 97.8 Ų | 97.8 | 82% | 0.822 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -67.5 | 23.2 | 178 | 46.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 49 | W | 31.7 | Very low | 34.4 | Very low | 42 Ų | 42 | 98.1 Ų | 98.1 | 16% | 0.159 | 53% | 0.528 | C | S | . | . | trans | -90.7 | 117.3 | -171.6 | -65.2 | 57.1 | 0 | 0 | 0 | 108.4 | F44 S47 Q51 T88 Q116 C127 E129 | F44-W49 HydrophobicContact CD1-CB 3.77Å; F44-W49 HydrophobicContact CE1-CB 3.94Å; S47-W49 PolarHBondContact O-N 3.39Å; W49-Q51 PolarHBondContact O-N 3.49Å; W49-T88 HydrophobicContact CE3-CG2 4.34Å; W49-T88 HydrophobicContact CH2-CG2 4.12Å; W49-T88 HydrophobicContact CZ3-CG2 3.49Å; W49-T88 VanDerWaalsContact CZ3-CG2 3.49Å; W49-Q116 HydrophobicContact CZ2-CB 4.06Å; W49-Q116 HydrophobicContact CZ2-CG 3.94Å; W49-C127 HydrophobicContact CH2-CB 3.99Å; W49-C127 HydrophobicContact CZ2-CB 4.37Å; W49-E129 HydrophobicContact CH2-CG 4.44Å; W49-E129 HydrophobicContact CZ3-CG 4.14Å | ||
| 50 | Q | 28 | Very low | 34.2 | Very low | 189 Ų | 189 | 97.5 Ų | 97.5 | 88% | 0.883 | 53% | 0.526 | S | S | * | . | trans | -65.4 | 134.1 | 174.3 | -70 | -170.3 | -21.3 | 0 | 0 | 110.2 | S52 | Q50-S52 PolarHBondContact O-N 2.9Å; Q50-S52 VanDerWaalsContact O-N 3.1Å | ||
| 51 | Q | 27.3 | Very low | 34.2 | Very low | 159 Ų | 159 | 99.8 Ų | 99.8 | 74% | 0.743 | 54% | 0.537 | S | S | * | . | trans | -58.5 | 110.6 | 177.9 | -174.3 | 178.5 | -0.1 | 0 | 0 | 110.3 | W49 | W49-Q51 PolarHBondContact O-N 3.49Š| ||
| 52 | S | 26.5 | Very low | 34.1 | Very low | 57 Ų | 57 | 102.7 Ų | 102.7 | 40% | 0.399 | 54% | 0.543 | S | S | . | . | trans | -79.2 | 123.7 | 169.1 | 171 | 0 | 0 | 0 | 0 | 109.2 | Q50 V54 | Q50-S52 PolarHBondContact O-N 2.9Å; Q50-S52 VanDerWaalsContact O-N 3.1Å; S52-V54 PolarHBondContact O-N 3.49Å | ||
| 53 | S | 25.9 | Very low | 33.6 | Very low | 119 Ų | 119 | 96.2 Ų | 96.2 | 83% | 0.832 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -70.1 | 26.1 | -176.5 | 52.8 | 0 | 0 | 0 | 0 | 115.5 | ||
| 54 | V | 26.6 | Very low | 33.4 | Very low | 81 Ų | 81 | 98.1 Ų | 98.1 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | trans | -121.1 | 77.4 | -174.9 | -171 | 0 | 0 | 0 | 0 | 109.8 | S52 | S52-V54 PolarHBondContact O-N 3.49Š| ||
| 55 | L | 27.3 | Very low | 33.3 | Very low | 106 Ų | 106 | 99.3 Ų | 99.3 | 56% | 0.555 | 54% | 0.538 | S | S | * | . | trans | -99.7 | 95.6 | 169.4 | -85.4 | 160.1 | 0 | 0 | 0 | 109.1 | E37 | E37-L55 HydrophobicContact CG-CD1 4.19Š| ||
| 56 | T | 29.8 | Very low | 33.1 | Very low | 116 Ų | 116 | 93.4 Ų | 93.4 | 71% | 0.712 | 51% | 0.512 | S | S | * | . | trans | -128.6 | 101.6 | 166.3 | 24.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 57 | V | 32.5 | Very low | 33 | Very low | 121 Ų | 121 | 89.9 Ų | 89.9 | 73% | 0.733 | 50% | 0.503 | S | S | * | . | trans | 48.3 | 119.1 | 152 | -162.9 | 0 | 0 | 0 | 0 | 118.7 | S59 | V57-S59 PolarHBondContact O-N 2.66Š| ||
| 58 | P | 43.8 | Very low | 33.3 | Very low | 73 Ų | 73 | 91.4 Ų | 91.4 | 47% | 0.474 | 51% | 0.509 | S | S | . | . | trans | -85.7 | 95.6 | 178.9 | 33.5 | -30.1 | 0 | 0 | 0 | 111.6 | ||||
| 59 | S | 40.9 | Very low | 33.4 | Very low | 122 Ų | 122 | 94.1 Ų | 94.1 | 85% | 0.853 | 51% | 0.513 | S | S | * | . | trans | -92.3 | 15.1 | 172.7 | 47.1 | 0 | 0 | 0 | 0 | 114.5 | V57 | V57-S59 PolarHBondContact O-N 2.66Š| ||
| 60 | S | 42.4 | Very low | 33.7 | Very low | 30 Ų | 30 | 94.3 Ų | 94.3 | 21% | 0.21 | 53% | 0.527 | C | S | . | . | trans | -125.6 | 33.6 | -171.3 | 66 | 0 | 0 | 0 | 0 | 116.4 | R62 K82 | S60-R62 PolarHBondContact O-N 3.21Å; S60-K82 PolarHBondContact OG-O 2.72Å | ||
| 61 | L | 41.1 | Very low | 34.4 | Very low | 60 Ų | 60 | 95.9 Ų | 95.9 | 31% | 0.314 | 53% | 0.531 | S | S | . | . | trans | -63.3 | 102.8 | 171.1 | -78.2 | 168 | 0 | 0 | 0 | 110.8 | K28 L31 V81 | K28-L61 HydrophobicContact CG-CD1 3.96Å; L31-L61 HydrophobicContact CD1-CD1 4.14Å; L31-L61 HydrophobicContact CD1-CD2 3.8Å; L61-V81 HydrophobicContact CD2-CB 4.32Å; L61-V81 HydrophobicContact CD2-CG1 3.46Å; L61-V81 VanDerWaalsContact CD2-CG1 3.46Å; L61-V81 HydrophobicContact CD2-CG2 4.24Å | ||
| 62 | R | 37.5 | Very low | 34.9 | Very low | 161 Ų | 161 | 94.4 Ų | 94.4 | 61% | 0.608 | 53% | 0.528 | S | S | * | . | trans | -110.9 | 116.3 | 171.9 | -63.5 | -165.1 | -172.6 | -160.2 | 6 | 109.8 | S60 F64 | S60-R62 PolarHBondContact O-N 3.21Å; R62-F64 HydrophobicContact CB-CD2 4.38Å; R62-F64 HydrophobicContact CB-CE2 3.61Å; R62-F64 HydrophobicContact CB-CZ 3.91Å; R62-F64 WeakPolarHBondContact O-CD2 3.31Å | ||
| 63 | C | 31.7 | Very low | 35.3 | Very low | 41 Ų | 41 | 103.8 Ų | 103.8 | 28% | 0.277 | 56% | 0.555 | S | S | . | * | trans | -84.7 | 133.6 | 171 | -68.1 | 0 | 0 | 0 | 0 | 110 | Q24 | Q24-C63 WeakPolarHBondContact CG-SG 3.36Š| ||
| 64 | F | 35.5 | Very low | 35.8 | Very low | 68 Ų | 68 | 107.1 Ų | 107.1 | 30% | 0.298 | 55% | 0.549 | S | S | . | . | trans | -117.2 | 124.2 | 175.6 | -63.7 | -89.2 | 0 | 0 | 0 | 109.2 | R62 L80 | R62-F64 HydrophobicContact CB-CD2 4.38Å; R62-F64 HydrophobicContact CB-CE2 3.61Å; R62-F64 HydrophobicContact CB-CZ 3.91Å; R62-F64 WeakPolarHBondContact O-CD2 3.31Å; F64-L80 HydrophobicContact CB-CD1 4.2Å; F64-L80 HydrophobicContact CD2-CB 3.95Å; F64-L80 HydrophobicContact CD2-CD1 4.11Å; F64-L80 HydrophobicContact CG-CD1 4.38Å | ||
| 65 | E | 33.2 | Very low | 36.3 | Very low | 88 Ų | 88 | 106.4 Ų | 106.4 | 41% | 0.411 | 55% | 0.545 | S | S | . | . | trans | -91.1 | 138.5 | 171.2 | -167.9 | -179.7 | 157 | 0 | 0 | 109 | R16 | R16-E65 VanDerWaalsContact CD-OE1 3.31Å; R16-E65 WeakPolarHBondContact CD-OE1 3.12Å; R16-E65 IonicContact CZ-OE1 3.67Å; R16-E65 IonicContact NE-OE1 3.75Å; R16-E65 IonicContact NH1-OE1 2.9Å; R16-E65 PolarHBondContact NH1-OE1 3.43Å | ||
| 66 | T | 33.1 | Very low | 36.8 | Very low | 14 Ų | 14 | 101.5 Ų | 101.5 | 9% | 0.086 | 52% | 0.52 | C | S | . | . | trans | -132.5 | 118.4 | 169.5 | 125.2 | 0 | 0 | 0 | 0 | 108.3 | L68 I78 | T66-L68 PolarHBondContact O-N 2.8Å; T66-I78 HydrophobicContact CG2-CD1 4.48Å | ||
| 67 | P | 34.1 | Very low | 37.4 | Very low | 84 Ų | 84 | 98.2 Ų | 98.2 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | trans | -72.2 | 108.6 | 169 | 28.6 | -30.1 | 0 | 0 | 0 | 108.4 | Q69 | P67-Q69 PolarHBondContact O-N 3.26Å; P67-Q69 VanDerWaalsContact O-N 3.1Å | ||
| 68 | L | 37.2 | Very low | 37.9 | Very low | 55 Ų | 55 | 93.3 Ų | 93.3 | 29% | 0.288 | 47% | 0.465 | S | S | . | . | trans | -70.8 | 104.7 | 166 | -85.7 | 141.5 | 0 | 0 | 0 | 109 | T66 G70 A76 I78 L102 | T66-L68 PolarHBondContact O-N 2.8Å; L68-G70 PolarHBondContact O-N 3.33Å; L68-A76 HydrophobicContact CD1-CB 3.29Å; L68-I78 HydrophobicContact CD1-CD1 4.45Å; L68-L102 HydrophobicContact CD1-CD1 3.37Å; L68-L102 HydrophobicContact CD1-CD2 4.1Å; L68-L102 HydrophobicContact CD1-CG 4.3Å; L68-L102 HydrophobicContact CD2-CD1 4.14Å; L68-L102 HydrophobicContact CD2-CD2 3.48Å; L68-L102 VanDerWaalsContact CD2-CD2 3.48Å; L68-L102 HydrophobicContact CD2-CG 4.44Å; L68-L102 HydrophobicContact CG-CD1 4.37Å; L68-L102 HydrophobicContact CG-CD2 4.44Å | ||
| 69 | Q | 34.9 | Very low | 38 | Very low | 191 Ų | 191 | 90.4 Ų | 90.4 | 89% | 0.893 | 45% | 0.446 | S | S | * | . | trans | -78.2 | 75.4 | 167.3 | -71.3 | -169.6 | 4.2 | 0 | 0 | 109 | P67 | P67-Q69 PolarHBondContact O-N 3.26Å; P67-Q69 VanDerWaalsContact O-N 3.1Å | ||
| 70 | G | 38.3 | Very low | 38.4 | Very low | 45 Ų | 45 | 85.7 Ų | 85.7 | 46% | 0.464 | 41% | 0.411 | S | S | . | . | trans | -91.3 | 147.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | L68 N72 | L68-G70 PolarHBondContact O-N 3.33Å; G70-N72 CarbonylContact O-C 3.31Å; G70-N72 VanDerWaalsContact O-C 3.31Å; G70-N72 PolarHBondContact O-N 2.92Å; G70-N72 VanDerWaalsContact O-O 3.08Å | ||
| 71 | K | 42.8 | Very low | 38.8 | Very low | 222 Ų | 222 | 84.7 Ų | 84.7 | 97% | 0.965 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -55.3 | -16.9 | 175.2 | -78.4 | 179.5 | 176.2 | 175.2 | 0 | 113.9 | ||
| 72 | N | 38.7 | Very low | 39.6 | Very low | 128 Ų | 128 | 82.7 Ų | 82.7 | 68% | 0.684 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -99.2 | 121.1 | 162.8 | -77.7 | -29.7 | 0 | 0 | 0 | 108.9 | G70 R74 | G70-N72 CarbonylContact O-C 3.31Å; G70-N72 VanDerWaalsContact O-C 3.31Å; G70-N72 PolarHBondContact O-N 2.92Å; G70-N72 VanDerWaalsContact O-O 3.08Å; N72-R74 PolarHBondContact O-N 2.78Å |
| 73 | R | 34.8 | Very low | 40.3 | Very low | 255 Ų | 255 | 75.7 Ų | 75.7 | 96% | 0.962 | 37% | 0.367 | S | S | * | . | trans | -63.2 | 49.8 | 176.2 | -68.4 | -178 | 174.1 | 171 | -0.9 | 113.5 | ||||
| 74 | R | 36 | Very low | 41.3 | Very low | 188 Ų | 188 | 79.8 Ų | 79.8 | 71% | 0.709 | 38% | 0.38 | S | S | * | . | trans | -97.6 | 100.6 | 168.6 | -68.5 | -172.7 | -178.3 | -175.4 | 0.9 | 107 | N72 A76 | N72-R74 PolarHBondContact O-N 2.78Å; R74-A76 PolarHBondContact O-N 2.8Å; R74-A76 VanDerWaalsContact O-N 3.08Å | ||
| 75 | T | 36.6 | Very low | 41.6 | Very low | 67 Ų | 67 | 77.3 Ų | 77.3 | 41% | 0.411 | 37% | 0.371 | S | S | . | . | trans | -62.5 | 106.9 | 169.3 | -35.9 | 0 | 0 | 0 | 0 | 107.6 | F77 | T75-F77 HydrophobicContact CG2-CE1 4.14Å; T75-F77 HydrophobicContact CG2-CE2 4.32Å; T75-F77 HydrophobicContact CG2-CZ 3.93Å | ||
| 76 | A | 38.3 | Very low | 42.7 | Very low | 3 Ų | 3 | 73.9 Ų | 73.9 | 3% | 0.025 | 36% | 0.36 | C | S | . | . | trans | -84.8 | 132.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | L68 R74 A97 L102 | L68-A76 HydrophobicContact CD1-CB 3.29Å; R74-A76 PolarHBondContact O-N 2.8Å; R74-A76 VanDerWaalsContact O-N 3.08Å; A76-A97 HydrophobicContact CB-CB 3.36Å; A76-L102 HydrophobicContact CB-CD1 3.62Å | ||
| 77 | F | 41.3 | Very low | 43.3 | Very low | 46 Ų | 46 | 77.3 Ų | 77.3 | 20% | 0.202 | 38% | 0.382 | C | S | . | . | trans | -98.6 | 131.3 | 171.8 | -52.1 | -95.1 | 0 | 0 | 0 | 107 | T75 S95 L96 | T75-F77 HydrophobicContact CG2-CE1 4.14Å; T75-F77 HydrophobicContact CG2-CE2 4.32Å; T75-F77 HydrophobicContact CG2-CZ 3.93Å; F77-S95 CarbonylContact O-C 3.57Å; F77-S95 WeakPolarHBondContact O-CA 3.23Å; F77-L96 HydrophobicContact CB-CB 4.03Å; F77-L96 HydrophobicContact CB-CD1 3.79Å; F77-L96 HydrophobicContact CB-CG 4.41Å; F77-L96 HydrophobicContact CD2-CB 4.13Å; F77-L96 HydrophobicContact CG-CD1 4.42Å; F77-L96 PolarHBondContact O-N 2.95Å | ||
| 78 | I | 44.6 | Very low | 43.7 | Very low | 18 Ų | 18 | 74 Ų | 74 | 9% | 0.092 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 113.5 | 174.2 | -57.7 | 173.3 | 0 | 0 | 0 | 106.1 | T66 L68 L80 Q94 A104 | T66-I78 HydrophobicContact CG2-CD1 4.48Å; L68-I78 HydrophobicContact CD1-CD1 4.45Å; I78-L80 HydrophobicContact CG2-CD2 4.39Å; I78-L80 HydrophobicContact CG2-CG 4.26Å; I78-Q94 WeakPolarHBondContact CA-O 3.37Å; I78-A104 HydrophobicContact CD1-CB 3.56Å |
| 79 | V | 45 | Very low | 44.4 | Very low | 12 Ų | 12 | 71.6 Ų | 71.6 | 7% | 0.073 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 110 | 172.5 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | L23 N27 V81 S93 Q94 L96 | L23-V79 HydrophobicContact CD1-CG2 4.09Å; L23-V79 HydrophobicContact CD2-CG2 4.5Å; N27-V79 WeakPolarHBondContact ND2-CG1 3.45Å; V79-V81 HydrophobicContact CG1-CG2 4.03Å; V79-S93 WeakPolarHBondContact O-CA 3.16Å; V79-Q94 PolarHBondContact N-O 2.05Å; V79-Q94 VanDerWaalsContact N-O 3.13Å; V79-Q94 PolarHBondContact O-N 3.06Å; V79-L96 HydrophobicContact CG2-CD1 4.45Å |
| 80 | L | 49 | Very low | 45 | Very low | 23 Ų | 23 | 63.2 Ų | 63.2 | 12% | 0.12 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 126 | 169.6 | -70.5 | 171.1 | 0 | 0 | 0 | 110.1 | F64 I78 L92 | F64-L80 HydrophobicContact CB-CD1 4.2Å; F64-L80 HydrophobicContact CD2-CB 3.95Å; F64-L80 HydrophobicContact CD2-CD1 4.11Å; F64-L80 HydrophobicContact CG-CD1 4.38Å; I78-L80 HydrophobicContact CG2-CD2 4.39Å; I78-L80 HydrophobicContact CG2-CG 4.26Å; L80-L92 CarbonylContact C-O 3.57Å; L80-L92 WeakPolarHBondContact CA-O 3.18Å |
| 81 | V | 51.6 | Low | 45.8 | Very low | 10 Ų | 10 | 62.2 Ų | 62.2 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 110.1 | 173.7 | 177.3 | 0 | 0 | 0 | 0 | 108.3 | L31 L61 V79 I83 C90 F91 L92 | L31-V81 HydrophobicContact CD1-CG1 4.39Å; L61-V81 HydrophobicContact CD2-CB 4.32Å; L61-V81 HydrophobicContact CD2-CG1 3.46Å; L61-V81 VanDerWaalsContact CD2-CG1 3.46Å; L61-V81 HydrophobicContact CD2-CG2 4.24Å; V79-V81 HydrophobicContact CG1-CG2 4.03Å; V81-I83 HydrophobicContact CG1-CD1 4.26Å; V81-I83 HydrophobicContact CG1-CG1 3.77Å; V81-C90 VanDerWaalsContact O-O 3.08Å; V81-F91 CarbonylContact O-C 3.41Å; V81-F91 VanDerWaalsContact O-CA 3.25Å; V81-F91 WeakPolarHBondContact O-CA 3.45Å; V81-L92 HydrophobicContact CB-CB 4.18Å; V81-L92 HydrophobicContact CB-CD1 4.12Å; V81-L92 HydrophobicContact CG1-CD1 4.2Å; V81-L92 PolarHBondContact N-O 2.89Å; V81-L92 PolarHBondContact O-N 2.79Å |
| 82 | K | 57.3 | Low | 46.3 | Very low | 18 Ų | 18 | 52.8 Ų | 52.8 | 8% | 0.078 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 113.1 | 172.1 | -175.1 | 174.6 | -179.7 | 170.9 | 0 | 109.1 | S60 F89 C90 F91 D132 | S60-K82 PolarHBondContact OG-O 2.72Å; K82-F89 HydrophobicContact CD-CD1 4.15Å; K82-F89 HydrophobicContact CG-CD1 4.03Å; K82-C90 CarbonylContact C-O 3.53Å; K82-C90 WeakPolarHBondContact CA-O 3.19Å; K82-F91 HydrophobicContact CB-CD1 4.19Å; K82-F91 HydrophobicContact CB-CE1 3.93Å; K82-F91 HydrophobicContact CD-CE1 4.03Å; K82-F91 HydrophobicContact CD-CZ 4.17Å; K82-F91 HydrophobicContact CG-CE1 3.93Å; K82-F91 HydrophobicContact CG-CZ 4.24Å; K82-D132 PolarHBondContact NZ-O 3.15Å; K82-D132 VanDerWaalsContact NZ-O 3.09Å; K82-D132 IonicContact NZ-OD1 2.64Å; K82-D132 PolarHBondContact NZ-OD1 3.16Å; K82-D132 IonicContact NZ-OD2 3.32Å; K82-D132 PolarHBondContact NZ-OD2 3.32Å |
| 83 | I | 52.4 | Low | 46.9 | Very low | 13 Ų | 13 | 47.1 Ų | 47.1 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 124.8 | 173.1 | -53.7 | -173.4 | 0 | 0 | 0 | 107.5 | V36 V81 F89 C90 L92 | V36-I83 HydrophobicContact CG1-CD1 4.45Å; V81-I83 HydrophobicContact CG1-CD1 4.26Å; V81-I83 HydrophobicContact CG1-CG1 3.77Å; I83-F89 CarbonylContact O-C 3.54Å; I83-F89 VanDerWaalsContact O-CA 3.31Å; I83-F89 WeakPolarHBondContact O-CA 3.06Å; I83-C90 PolarHBondContact N-O 2.77Å; I83-C90 PolarHBondContact O-N 2.83Å; I83-L92 HydrophobicContact CD1-CD1 3.32Å; I83-L92 HydrophobicContact CG1-CD1 3.83Å |
| 84 | K | 52.5 | Low | 47.7 | Very low | 127 Ų | 127 | 38.4 Ų | 38.4 | 55% | 0.552 | 19% | 0.194 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 123 | 169.4 | -171.3 | 177.3 | -178.1 | 178.9 | 0 | 108.6 | G86 F89 | K84-G86 WeakPolarHBondContact CE-O 3.4Å; K84-F89 HydrophobicContact CB-CD1 3.85Å; K84-F89 HydrophobicContact CB-CE1 3.7Å; K84-F89 HydrophobicContact CD-CE1 3.75Å; K84-F89 HydrophobicContact CD-CZ 3.95Å; K84-F89 HydrophobicContact CG-CD1 3.98Å; K84-F89 HydrophobicContact CG-CE1 3.56Å; K84-F89 HydrophobicContact CG-CZ 4.02Å |
| 85 | C | 43.1 | Very low | 48.3 | Very low | 16 Ų | 16 | 31 Ų | 31 | 11% | 0.108 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 87.1 | 173.7 | -74.6 | 0 | 0 | 0 | 0 | 108.2 | F44 T88 | F44-C85 HydrophobicContact CZ-CB 4.38Å; C85-T88 CarbonylContact C-O 3.54Å; C85-T88 PolarHBondContact N-O 2.76Å; C85-T88 WeakPolarHBondContact O-CB 3.17Å; C85-T88 PolarHBondContact O-N 2.8Å; C85-T88 VanDerWaalsContact O-N 3.11Å |
| 86 | G | 55 | Low | 48.9 | Very low | 17 Ų | 17 | 31.8 Ų | 31.8 | 18% | 0.175 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | -126.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K84 T88 | K84-G86 WeakPolarHBondContact CE-O 3.4Å; G86-T88 PolarHBondContact O-N 3.35Å |
| 87 | P | 46.5 | Very low | 49.1 | Very low | 85 Ų | 85 | 32.8 Ų | 32.8 | 55% | 0.552 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 0.2 | 175.5 | 35.3 | -35.7 | 0 | 0 | 0 | 113.3 | G130 | P87-G130 PolarHBondContact O-N 2.76Š|
| 88 | T | 42.2 | Very low | 48.8 | Very low | 15 Ų | 15 | 33.2 Ų | 33.2 | 9% | 0.092 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 140.4 | -174.8 | -49.4 | 0 | 0 | 0 | 0 | 109.9 | W49 C85 G86 C127 C128 E129 | W49-T88 HydrophobicContact CE3-CG2 4.34Å; W49-T88 HydrophobicContact CH2-CG2 4.12Å; W49-T88 HydrophobicContact CZ3-CG2 3.49Å; W49-T88 VanDerWaalsContact CZ3-CG2 3.49Å; C85-T88 CarbonylContact C-O 3.54Å; C85-T88 PolarHBondContact N-O 2.76Å; C85-T88 WeakPolarHBondContact O-CB 3.17Å; C85-T88 PolarHBondContact O-N 2.8Å; C85-T88 VanDerWaalsContact O-N 3.11Å; G86-T88 PolarHBondContact O-N 3.35Å; T88-C127 HydrophobicContact CG2-CB 4.13Å; T88-C128 CarbonylContact C-O 3.56Å; T88-C128 VanDerWaalsContact CA-O 3.24Å; T88-C128 WeakPolarHBondContact CA-O 3.21Å; T88-C128 WeakPolarHBondContact CG2-O 2.97Å; T88-E129 HydrophobicContact CG2-CG 4.44Å |
| 89 | F | 51.1 | Low | 48.3 | Very low | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.3 | 168.8 | -63.6 | -88.5 | 0 | 0 | 0 | 110.1 | K82 I83 K84 C127 C128 G130 D132 C135 | K82-F89 HydrophobicContact CD-CD1 4.15Å; K82-F89 HydrophobicContact CG-CD1 4.03Å; I83-F89 CarbonylContact O-C 3.54Å; I83-F89 VanDerWaalsContact O-CA 3.31Å; I83-F89 WeakPolarHBondContact O-CA 3.06Å; K84-F89 HydrophobicContact CB-CD1 3.85Å; K84-F89 HydrophobicContact CB-CE1 3.7Å; K84-F89 HydrophobicContact CD-CE1 3.75Å; K84-F89 HydrophobicContact CD-CZ 3.95Å; K84-F89 HydrophobicContact CG-CD1 3.98Å; K84-F89 HydrophobicContact CG-CE1 3.56Å; K84-F89 HydrophobicContact CG-CZ 4.02Å; F89-C127 CarbonylContact O-C 3.56Å; F89-C127 VanDerWaalsContact O-CA 3.22Å; F89-C127 WeakPolarHBondContact O-CA 3.45Å; F89-C128 PolarHBondContact N-O 2.91Å; F89-C128 PolarHBondContact O-N 2.81Å; F89-C128 PolarHBondContact O-SG 2.86Å; F89-C128 VanDerWaalsContact O-SG 3.35Å; F89-G130 WeakPolarHBondContact CD2-O 3.47Å; F89-G130 WeakPolarHBondContact CE2-O 3.35Å; F89-D132 HydrophobicContact CE1-CB 4.45Å; F89-D132 WeakPolarHBondContact CE1-OD2 3.47Å; F89-D132 HydrophobicContact CE2-CB 4.34Å; F89-D132 HydrophobicContact CZ-CB 3.75Å; F89-D132 VanDerWaalsContact CZ-OD2 3.28Å; F89-D132 WeakPolarHBondContact CZ-OD2 3.41Å; F89-C135 HydrophobicContact CB-CB 4.33Å; F89-C135 HydrophobicContact CD2-CB 4.37Å; F89-C135 HydrophobicContact CG-CB 4.49Å |
| 90 | C | 49 | Very low | 47.7 | Very low | 16 Ų | 16 | 49.7 Ų | 49.7 | 11% | 0.108 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 136.3 | 173.4 | -66.3 | 0 | 0 | 0 | 0 | 110.1 | V81 K82 I83 M125 A126 C127 | V81-C90 VanDerWaalsContact O-O 3.08Å; K82-C90 CarbonylContact C-O 3.53Å; K82-C90 WeakPolarHBondContact CA-O 3.19Å; I83-C90 PolarHBondContact N-O 2.77Å; I83-C90 PolarHBondContact O-N 2.83Å; C90-M125 HydrophobicContact CB-CG 4.49Å; C90-M125 HydrophobicContact CB-SD 4.47Å; C90-A126 CarbonylContact C-O 3.48Å; C90-A126 WeakPolarHBondContact CA-O 3.47Å; C90-C127 HydrophobicContact CB-CB 4.23Å; C90-C127 WeakPolarHBondContact CB-SG 3.14Å; C90-C127 WeakPolarHBondContact SG-CB 3.47Å; C90-C127 CovalentContact SG-SG 2.06Å; C90-C127 PolarHBondContact SG-SG 2.71Å |
| 91 | F | 54.9 | Low | 46.9 | Very low | 23 Ų | 23 | 55.6 Ų | 55.6 | 10% | 0.101 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 114.8 | 173.5 | -64.8 | -86.3 | 0 | 0 | 0 | 108.3 | V81 K82 L109 M125 A126 C135 | V81-F91 CarbonylContact O-C 3.41Å; V81-F91 VanDerWaalsContact O-CA 3.25Å; V81-F91 WeakPolarHBondContact O-CA 3.45Å; K82-F91 HydrophobicContact CB-CD1 4.19Å; K82-F91 HydrophobicContact CB-CE1 3.93Å; K82-F91 HydrophobicContact CD-CE1 4.03Å; K82-F91 HydrophobicContact CD-CZ 4.17Å; K82-F91 HydrophobicContact CG-CE1 3.93Å; K82-F91 HydrophobicContact CG-CZ 4.24Å; F91-L109 HydrophobicContact CE2-CD2 4.3Å; F91-M125 CarbonylContact O-C 3.48Å; F91-M125 VanDerWaalsContact O-CA 3.23Å; F91-M125 WeakPolarHBondContact O-CA 3.24Å; F91-A126 PolarHBondContact N-O 3.01Å; F91-A126 PolarHBondContact O-N 3.38Å; F91-C135 HydrophobicContact CE2-CB 3.79Å; F91-C135 HydrophobicContact CZ-CB 3.77Å; F91-C135 WeakPolarHBondContact CZ-O 3.4Å |
| 92 | L | 51.9 | Low | 45.9 | Very low | 25 Ų | 25 | 58.1 Ų | 58.1 | 13% | 0.131 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 132.1 | 165.2 | -62.1 | 98.3 | 0 | 0 | 0 | 109 | L80 V81 I83 V123 M125 | L80-L92 CarbonylContact C-O 3.57Å; L80-L92 WeakPolarHBondContact CA-O 3.18Å; V81-L92 HydrophobicContact CB-CB 4.18Å; V81-L92 HydrophobicContact CB-CD1 4.12Å; V81-L92 HydrophobicContact CG1-CD1 4.2Å; V81-L92 PolarHBondContact N-O 2.89Å; V81-L92 PolarHBondContact O-N 2.79Å; I83-L92 HydrophobicContact CD1-CD1 3.32Å; I83-L92 HydrophobicContact CG1-CD1 3.83Å; L92-V123 HydrophobicContact CB-CG1 3.87Å; L92-V123 HydrophobicContact CD2-CG1 3.83Å; L92-V123 HydrophobicContact CG-CG1 4.35Å; L92-M125 HydrophobicContact CD2-CE 3.43Å; L92-M125 VanDerWaalsContact CD2-CE 3.43Å; L92-M125 HydrophobicContact CD2-SD 4.41Å; L92-M125 HydrophobicContact CG-CE 3.75Å; L92-M125 HydrophobicContact CG-CG 4.1Å; L92-M125 HydrophobicContact CG-SD 4.16Å |
| 93 | S | 52.9 | Low | 44.6 | Very low | 9 Ų | 9 | 63.5 Ų | 63.5 | 6% | 0.063 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125.5 | 173.6 | 83 | 0 | 0 | 0 | 0 | 109.9 | V79 V123 L124 | V79-S93 WeakPolarHBondContact O-CA 3.16Å; S93-V123 WeakPolarHBondContact O-CA 3.07Å; S93-L124 PolarHBondContact N-O 2.94Å; S93-L124 PolarHBondContact O-N 2.92Å; S93-L124 WeakPolarHBondContact OG-CB 3.26Å; S93-L124 PolarHBondContact OG-O 2.97Å |
| 94 | Q | 50.1 | Low | 43.6 | Very low | 72 Ų | 72 | 63.9 Ų | 63.9 | 34% | 0.336 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 122.4 | 172.9 | -169.3 | 178.3 | 22.1 | 0 | 0 | 109.3 | I78 V79 V123 | I78-Q94 WeakPolarHBondContact CA-O 3.37Å; V79-Q94 PolarHBondContact N-O 2.05Å; V79-Q94 VanDerWaalsContact N-O 3.13Å; V79-Q94 PolarHBondContact O-N 3.06Å; Q94-V123 HydrophobicContact CB-CG2 4.48Å; Q94-V123 HydrophobicContact CG-CG2 4.36Å |
| 95 | S | 49.8 | Very low | 42.6 | Very low | 32 Ų | 32 | 59.1 Ų | 59.1 | 22% | 0.224 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.5 | 172.4 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | F77 A97 | F77-S95 CarbonylContact O-C 3.57Å; F77-S95 WeakPolarHBondContact O-CA 3.23Å; S95-A97 PolarHBondContact OG-N 3.34Å |
| 96 | L | 48 | Very low | 41.9 | Very low | 83 Ų | 83 | 68.5 Ų | 68.5 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | trans | -94.1 | 9.1 | 173.2 | -69.1 | 159.5 | 0 | 0 | 0 | 112.7 | L23 F77 V79 | L23-L96 HydrophobicContact CD1-CD1 3.81Å; L23-L96 HydrophobicContact CD2-CD1 4.02Å; F77-L96 HydrophobicContact CB-CB 4.03Å; F77-L96 HydrophobicContact CB-CD1 3.79Å; F77-L96 HydrophobicContact CB-CG 4.41Å; F77-L96 HydrophobicContact CD2-CB 4.13Å; F77-L96 HydrophobicContact CG-CD1 4.42Å; F77-L96 PolarHBondContact O-N 2.95Å; V79-L96 HydrophobicContact CG2-CD1 4.45Å | ||
| 97 | A | 43.6 | Very low | 40.9 | Very low | 25 Ų | 25 | 68.1 Ų | 68.1 | 21% | 0.207 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -87.3 | 125.8 | 170 | 0 | 0 | 0 | 0 | 0 | 110.4 | A76 S95 D99 | A76-A97 HydrophobicContact CB-CB 3.36Å; S95-A97 PolarHBondContact OG-N 3.34Å; A97-D99 PolarHBondContact O-N 3.39Å |
| 98 | G | 34.2 | Very low | 40.2 | Very low | 54 Ų | 54 | 73.9 Ų | 73.9 | 56% | 0.557 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | 132.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R100 | G98-R100 PolarHBondContact O-N 3.35Š|
| 99 | D | 33.9 | Very low | 39.9 | Very low | 166 Ų | 166 | 73.9 Ų | 73.9 | 89% | 0.888 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | -0.3 | 162.3 | -50.7 | -28.2 | 0 | 0 | 0 | 119.3 | A97 | A97-D99 PolarHBondContact O-N 3.39Š|
| 100 | R | 32.9 | Very low | 39.1 | Very low | 210 Ų | 210 | 77.5 Ų | 77.5 | 79% | 0.792 | 39% | 0.389 | S | S | * | . | trans | -129 | 108.5 | 174 | -70.8 | -169.8 | -175.4 | -169.6 | 1.2 | 111.7 | G98 L102 | G98-R100 PolarHBondContact O-N 3.35Å; R100-L102 PolarHBondContact O-N 2.74Å | ||
| 101 | W | 32.2 | Very low | 38.4 | Very low | 147 Ų | 147 | 78.8 Ų | 78.8 | 56% | 0.557 | 40% | 0.398 | S | S | * | . | trans | -57 | 99.6 | 166.2 | -59.9 | 88.4 | 0 | 0 | 0 | 109.3 | I103 T119 G122 | W101-I103 VanDerWaalsContact C-N 3.34Å; W101-I103 PolarHBondContact O-N 3.46Å; W101-T119 HydrophobicContact CE3-CG2 4.29Å; W101-T119 HydrophobicContact CH2-CG2 3.45Å; W101-T119 VanDerWaalsContact CH2-CG2 3.45Å; W101-T119 HydrophobicContact CZ2-CG2 4.47Å; W101-T119 HydrophobicContact CZ3-CG2 3.41Å; W101-T119 VanDerWaalsContact CZ3-CG2 3.41Å; W101-G122 WeakPolarHBondContact CZ3-O 3.21Å | ||
| 102 | L | 30.3 | Very low | 37.6 | Very low | 63 Ų | 63 | 89.8 Ų | 89.8 | 33% | 0.33 | 44% | 0.439 | S | S | . | . | trans | -69.5 | 102.9 | 161.1 | -93.2 | 136 | 0 | 0 | 0 | 106.5 | L68 A76 R100 A104 | L68-L102 HydrophobicContact CD1-CD1 3.37Å; L68-L102 HydrophobicContact CD1-CD2 4.1Å; L68-L102 HydrophobicContact CD1-CG 4.3Å; L68-L102 HydrophobicContact CD2-CD1 4.14Å; L68-L102 HydrophobicContact CD2-CD2 3.48Å; L68-L102 VanDerWaalsContact CD2-CD2 3.48Å; L68-L102 HydrophobicContact CD2-CG 4.44Å; L68-L102 HydrophobicContact CG-CD1 4.37Å; L68-L102 HydrophobicContact CG-CD2 4.44Å; A76-L102 HydrophobicContact CB-CD1 3.62Å; R100-L102 PolarHBondContact O-N 2.74Å; L102-A104 PolarHBondContact O-N 2.85Å | ||
| 103 | I | 29.9 | Very low | 37.1 | Very low | 131 Ų | 131 | 95.4 Ų | 95.4 | 67% | 0.672 | 46% | 0.462 | S | S | * | . | trans | -63.5 | 75.9 | 162.7 | -56.9 | 173.7 | 0 | 0 | 0 | 105.7 | W101 S105 | W101-I103 VanDerWaalsContact C-N 3.34Å; W101-I103 PolarHBondContact O-N 3.46Å; I103-S105 PolarHBondContact O-N 3.01Å | ||
| 104 | A | 31.2 | Very low | 36.7 | Very low | 22 Ų | 22 | 98.1 Ų | 98.1 | 18% | 0.182 | 48% | 0.481 | C | S | . | . | trans | -79.1 | 79.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | I78 L102 | I78-A104 HydrophobicContact CD1-CB 3.56Å; L102-A104 PolarHBondContact O-N 2.85Å | ||
| 105 | S | 31.5 | Very low | 36.4 | Very low | 27 Ų | 27 | 97.8 Ų | 97.8 | 19% | 0.189 | 48% | 0.484 | C | S | . | . | trans | 87.4 | 122.9 | 134.9 | -44.4 | 0 | 0 | 0 | 0 | 116 | I103 A107 | I103-S105 PolarHBondContact O-N 3.01Å; S105-A107 VanDerWaalsContact C-N 3.27Å; S105-A107 PolarHBondContact O-N 3.35Å | ||
| 106 | R | 29.5 | Very low | 36.1 | Very low | 213 Ų | 213 | 99.7 Ų | 99.7 | 80% | 0.804 | 49% | 0.489 | S | S | * | . | trans | -40.4 | 99.9 | 144 | -88.1 | 174.4 | 161.5 | 166.3 | -6.2 | 107.7 | R108 | R106-R108 VanDerWaalsContact C-N 3.26Å; R106-R108 PolarHBondContact O-N 3.02Å | ||
| 107 | A | 33.4 | Very low | 36.2 | Very low | 8 Ų | 8 | 100.3 Ų | 100.3 | 7% | 0.066 | 49% | 0.49 | C | S | . | . | trans | -59.2 | 105.7 | 154.7 | 0 | 0 | 0 | 0 | 0 | 104.1 | S105 L109 | S105-A107 VanDerWaalsContact C-N 3.27Å; S105-A107 PolarHBondContact O-N 3.35Å; A107-L109 HydrophobicContact CB-CD1 3.84Å; A107-L109 HydrophobicContact CB-CD2 4.13Å; A107-L109 HydrophobicContact CB-CG 3.66Å; A107-L109 PolarHBondContact O-N 3.44Å | ||
| 108 | R | 32.3 | Very low | 36.1 | Very low | 206 Ų | 206 | 101.7 Ų | 101.7 | 78% | 0.777 | 49% | 0.493 | S | S | * | . | trans | -68.2 | 76.4 | 160.7 | -92.5 | -172 | 178.2 | 176.2 | 0.3 | 105.2 | R106 A110 | R106-R108 VanDerWaalsContact C-N 3.26Å; R106-R108 PolarHBondContact O-N 3.02Å; R108-A110 PolarHBondContact O-N 2.8Å | ||
| 109 | L | 35 | Very low | 36.6 | Very low | 16 Ų | 16 | 103.1 Ų | 103.1 | 8% | 0.084 | 49% | 0.491 | C | S | . | . | trans | -66.3 | 115.2 | 166.3 | -67.3 | 161.4 | 0 | 0 | 0 | 103.6 | F91 A107 S111 V115 C128 C135 | F91-L109 HydrophobicContact CE2-CD2 4.3Å; A107-L109 HydrophobicContact CB-CD1 3.84Å; A107-L109 HydrophobicContact CB-CD2 4.13Å; A107-L109 HydrophobicContact CB-CG 3.66Å; A107-L109 PolarHBondContact O-N 3.44Å; L109-S111 PolarHBondContact O-N 2.06Å; L109-V115 HydrophobicContact CB-CG2 4.2Å; L109-V115 HydrophobicContact CD1-CG1 4.12Å; L109-V115 HydrophobicContact CD1-CG2 3.74Å; L109-V115 HydrophobicContact CG-CG2 4.43Å; L109-C128 HydrophobicContact CB-CB 3.87Å; L109-C128 HydrophobicContact CD1-CB 3.23Å; L109-C128 HydrophobicContact CD2-CB 3.35Å; L109-C128 WeakPolarHBondContact CD2-SG 3.41Å; L109-C128 HydrophobicContact CG-CB 3.55Å; L109-C135 VanDerWaalsContact CD2-CA 3.48Å; L109-C135 HydrophobicContact CD2-CB 3.74Å | ||
| 110 | A | 34.1 | Very low | 36.9 | Very low | 80 Ų | 80 | 98.9 Ų | 98.9 | 66% | 0.661 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -66.5 | 9 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R108 L134 | R108-A110 PolarHBondContact O-N 2.8Å; A110-L134 HydrophobicContact CB-CD2 3.98Å; A110-L134 PolarHBondContact N-O 3.11Å |
| 111 | S | 34.5 | Very low | 37 | Very low | 42 Ų | 42 | 93 Ų | 93 | 29% | 0.294 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -114.6 | 127.1 | 176.1 | -173.2 | 0 | 0 | 0 | 0 | 110.8 | L109 K113 | L109-S111 PolarHBondContact O-N 2.06Å; S111-K113 PolarHBondContact O-N 3.04Å |
| 112 | R | 38.5 | Very low | 37.6 | Very low | 255 Ų | 255 | 87 Ų | 87 | 96% | 0.962 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -69.1 | 32.6 | -177.9 | -71.2 | -178.8 | 169.7 | -173.6 | -2.1 | 114.5 | ||
| 113 | K | 41.5 | Very low | 38.4 | Very low | 142 Ų | 142 | 85.4 Ų | 85.4 | 62% | 0.617 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -125.2 | 108.6 | -178.7 | -66.7 | -173 | 178.8 | -177.7 | 0 | 110.4 | S111 | S111-K113 PolarHBondContact O-N 3.04Š|
| 114 | S | 44.4 | Very low | 39.3 | Very low | 66 Ų | 66 | 80 Ų | 80 | 46% | 0.462 | 43% | 0.425 | S | S | . | . | trans | 35.8 | 86.4 | 167 | 57.3 | 0 | 0 | 0 | 0 | 117.6 | Q116 | S114-Q116 PolarHBondContact O-N 2.71Š| ||
| 115 | V | 44.2 | Very low | 40.1 | Very low | 66 Ų | 66 | 79.6 Ų | 79.6 | 40% | 0.4 | 42% | 0.419 | S | S | . | . | trans | -80 | 110.9 | 159.3 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | L109 | L109-V115 HydrophobicContact CB-CG2 4.2Å; L109-V115 HydrophobicContact CD1-CG1 4.12Å; L109-V115 HydrophobicContact CD1-CG2 3.74Å; L109-V115 HydrophobicContact CG-CG2 4.43Å | ||
| 116 | Q | 43.8 | Very low | 41 | Very low | 71 Ų | 71 | 78.6 Ų | 78.6 | 33% | 0.332 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 132.1 | 169.2 | -68.3 | -166.3 | 5.8 | 0 | 0 | 109.9 | W49 S114 C127 | W49-Q116 HydrophobicContact CZ2-CB 4.06Å; W49-Q116 HydrophobicContact CZ2-CG 3.94Å; S114-Q116 PolarHBondContact O-N 2.71Å; Q116-C127 PolarHBondContact O-N 3.41Å |
| 117 | Q | 49.3 | Very low | 41.7 | Very low | 96 Ų | 96 | 69.3 Ų | 69.3 | 45% | 0.449 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 124.4 | 173.7 | -69.6 | -175.6 | -32.3 | 0 | 0 | 108.7 | M125 | Q117-M125 VanDerWaalsContact CA-O 3.26Å; Q117-M125 WeakPolarHBondContact CA-O 3.44Å |
| 118 | L | 42.1 | Very low | 42.3 | Very low | 54 Ų | 54 | 69 Ų | 69 | 28% | 0.283 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.8 | 175 | -141.7 | 86.5 | 0 | 0 | 0 | 109.1 | L43 V120 M125 | L43-L118 HydrophobicContact CD2-CD2 3.64Å; L118-V120 HydrophobicContact CD2-CG2 3.6Å; L118-V120 HydrophobicContact CG-CG2 4.29Å; L118-M125 HydrophobicContact CB-CB 4.39Å; L118-M125 PolarHBondContact N-O 3.47Å; L118-M125 PolarHBondContact O-N 2.94Å |
| 119 | T | 45 | Very low | 42.7 | Very low | 85 Ų | 85 | 62.9 Ų | 62.9 | 52% | 0.521 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 116.4 | 171.9 | -55.3 | 0 | 0 | 0 | 0 | 108.5 | W101 V123 | W101-T119 HydrophobicContact CE3-CG2 4.29Å; W101-T119 HydrophobicContact CH2-CG2 3.45Å; W101-T119 VanDerWaalsContact CH2-CG2 3.45Å; W101-T119 HydrophobicContact CZ2-CG2 4.47Å; W101-T119 HydrophobicContact CZ3-CG2 3.41Å; W101-T119 VanDerWaalsContact CZ3-CG2 3.41Å; T119-V123 WeakPolarHBondContact CA-O 3.04Å |
| 120 | V | 38.4 | Very low | 43.4 | Very low | 77 Ų | 77 | 63.2 Ų | 63.2 | 47% | 0.467 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 113.7 | 178.1 | -174 | 0 | 0 | 0 | 0 | 108.9 | L43 L118 G122 V123 | L43-V120 HydrophobicContact CD2-CG2 4.08Å; L118-V120 HydrophobicContact CD2-CG2 3.6Å; L118-V120 HydrophobicContact CG-CG2 4.29Å; V120-G122 VanDerWaalsContact C-N 3.28Å; V120-G122 PolarHBondContact O-N 2.66Å; V120-V123 PolarHBondContact N-O 3.43Å; V120-V123 WeakPolarHBondContact O-CB 3.06Å; V120-V123 PolarHBondContact O-N 3.27Å |
| 121 | G | 36.6 | Very low | 43.8 | Very low | 86 Ų | 86 | 65.2 Ų | 65.2 | 89% | 0.887 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 26.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 122 | G | 45.2 | Very low | 44.2 | Very low | 20 Ų | 20 | 66.9 Ų | 66.9 | 21% | 0.206 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 116.8 | -12 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | W101 V120 | W101-G122 WeakPolarHBondContact CZ3-O 3.21Å; V120-G122 VanDerWaalsContact C-N 3.28Å; V120-G122 PolarHBondContact O-N 2.66Å |
| 123 | V | 45.7 | Very low | 44.4 | Very low | 30 Ų | 30 | 62.1 Ų | 62.1 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 119.8 | -165.6 | -171.1 | 0 | 0 | 0 | 0 | 109.8 | L92 S93 Q94 T119 V120 | L92-V123 HydrophobicContact CB-CG1 3.87Å; L92-V123 HydrophobicContact CD2-CG1 3.83Å; L92-V123 HydrophobicContact CG-CG1 4.35Å; S93-V123 WeakPolarHBondContact O-CA 3.07Å; Q94-V123 HydrophobicContact CB-CG2 4.48Å; Q94-V123 HydrophobicContact CG-CG2 4.36Å; T119-V123 WeakPolarHBondContact CA-O 3.04Å; V120-V123 PolarHBondContact N-O 3.43Å; V120-V123 WeakPolarHBondContact O-CB 3.06Å; V120-V123 PolarHBondContact O-N 3.27Å |
| 124 | L | 49.6 | Very low | 44.4 | Very low | 19 Ų | 19 | 58.2 Ų | 58.2 | 10% | 0.099 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 124.4 | 173.6 | -178 | 108.1 | 0 | 0 | 0 | 108.8 | S93 | S93-L124 PolarHBondContact N-O 2.94Å; S93-L124 PolarHBondContact O-N 2.92Å; S93-L124 WeakPolarHBondContact OG-CB 3.26Å; S93-L124 PolarHBondContact OG-O 2.97Å |
| 125 | M | 47.2 | Very low | 44.3 | Very low | 12 Ų | 12 | 55.4 Ų | 55.4 | 6% | 0.059 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.5 | 179.2 | -154.3 | 169.3 | -47.6 | 0 | 0 | 110.9 | L43 C90 F91 L92 Q117 L118 | L43-M125 HydrophobicContact CD1-CE 3.27Å; L43-M125 HydrophobicContact CD1-SD 3.52Å; L43-M125 VanDerWaalsContact CD1-SD 3.52Å; L43-M125 HydrophobicContact CD2-CE 3.39Å; L43-M125 HydrophobicContact CD2-SD 3.89Å; L43-M125 HydrophobicContact CG-CE 3.95Å; L43-M125 HydrophobicContact CG-SD 4.28Å; C90-M125 HydrophobicContact CB-CG 4.49Å; C90-M125 HydrophobicContact CB-SD 4.47Å; F91-M125 CarbonylContact O-C 3.48Å; F91-M125 VanDerWaalsContact O-CA 3.23Å; F91-M125 WeakPolarHBondContact O-CA 3.24Å; L92-M125 HydrophobicContact CD2-CE 3.43Å; L92-M125 VanDerWaalsContact CD2-CE 3.43Å; L92-M125 HydrophobicContact CD2-SD 4.41Å; L92-M125 HydrophobicContact CG-CE 3.75Å; L92-M125 HydrophobicContact CG-CG 4.1Å; L92-M125 HydrophobicContact CG-SD 4.16Å; Q117-M125 VanDerWaalsContact CA-O 3.26Å; Q117-M125 WeakPolarHBondContact CA-O 3.44Å; L118-M125 HydrophobicContact CB-CB 4.39Å; L118-M125 PolarHBondContact N-O 3.47Å; L118-M125 PolarHBondContact O-N 2.94Å |
| 126 | A | 50.3 | Low | 44.2 | Very low | 7 Ų | 7 | 58.4 Ų | 58.4 | 6% | 0.058 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 123.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | C90 F91 | C90-A126 CarbonylContact C-O 3.48Å; C90-A126 WeakPolarHBondContact CA-O 3.47Å; F91-A126 PolarHBondContact N-O 3.01Å; F91-A126 PolarHBondContact O-N 3.38Å |
| 127 | C | 44 | Very low | 44.2 | Very low | 18 Ų | 18 | 60.9 Ų | 60.9 | 12% | 0.122 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 138.1 | 175.4 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | W49 T88 F89 C90 Q116 | W49-C127 HydrophobicContact CH2-CB 3.99Å; W49-C127 HydrophobicContact CZ2-CB 4.37Å; T88-C127 HydrophobicContact CG2-CB 4.13Å; F89-C127 CarbonylContact O-C 3.56Å; F89-C127 VanDerWaalsContact O-CA 3.22Å; F89-C127 WeakPolarHBondContact O-CA 3.45Å; C90-C127 HydrophobicContact CB-CB 4.23Å; C90-C127 WeakPolarHBondContact CB-SG 3.14Å; C90-C127 WeakPolarHBondContact SG-CB 3.47Å; C90-C127 CovalentContact SG-SG 2.06Å; C90-C127 PolarHBondContact SG-SG 2.71Å; Q116-C127 PolarHBondContact O-N 3.41Å |
| 128 | C | 46.2 | Very low | 43.8 | Very low | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.014 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 142.8 | 167.1 | 28.4 | 0 | 0 | 0 | 0 | 110.2 | T88 F89 L109 C135 | T88-C128 CarbonylContact C-O 3.56Å; T88-C128 VanDerWaalsContact CA-O 3.24Å; T88-C128 WeakPolarHBondContact CA-O 3.21Å; T88-C128 WeakPolarHBondContact CG2-O 2.97Å; F89-C128 PolarHBondContact N-O 2.91Å; F89-C128 PolarHBondContact O-N 2.81Å; F89-C128 PolarHBondContact O-SG 2.86Å; F89-C128 VanDerWaalsContact O-SG 3.35Å; L109-C128 HydrophobicContact CB-CB 3.87Å; L109-C128 HydrophobicContact CD1-CB 3.23Å; L109-C128 HydrophobicContact CD2-CB 3.35Å; L109-C128 WeakPolarHBondContact CD2-SG 3.41Å; L109-C128 HydrophobicContact CG-CB 3.55Å; C128-C135 WeakPolarHBondContact CB-SG 3.3Å; C128-C135 WeakPolarHBondContact SG-CB 3.4Å; C128-C135 CovalentContact SG-SG 2.05Å; C128-C135 PolarHBondContact SG-SG 3.34Å |
| 129 | E | 41.8 | Very low | 43.6 | Very low | 77 Ų | 77 | 58.7 Ų | 58.7 | 36% | 0.36 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 129.7 | 154.6 | -61.7 | -174.2 | 149.6 | 0 | 0 | 109.7 | W49 T88 | W49-E129 HydrophobicContact CH2-CG 4.44Å; W49-E129 HydrophobicContact CZ3-CG 4.14Å; T88-E129 HydrophobicContact CG2-CG 4.44Å |
| 130 | G | 48.4 | Very low | 43.4 | Very low | 22 Ų | 22 | 59.3 Ų | 59.3 | 23% | 0.227 | 34% | 0.337 | C | S | . | . | S | Bend | trans | 148.8 | 172.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P87 F89 | P87-G130 PolarHBondContact O-N 2.76Å; F89-G130 WeakPolarHBondContact CD2-O 3.47Å; F89-G130 WeakPolarHBondContact CE2-O 3.35Å |
| 131 | D | 43.6 | Very low | 43.2 | Very low | 122 Ų | 122 | 60.1 Ų | 60.1 | 65% | 0.652 | 35% | 0.347 | S | S | * | . | trans | -68.5 | 160.4 | 179.3 | -66.1 | -65 | 0 | 0 | 0 | 113.4 | E133 L134 | D131-E133 PolarHBondContact O-N 3.01Å; D131-L134 HydrophobicContact CB-CD1 4.04Å; D131-L134 PolarHBondContact O-N 3.24Å | ||
| 132 | D | 43.7 | Very low | 43 | Very low | 78 Ų | 78 | 63.5 Ų | 63.5 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -31.5 | -172 | -151.6 | -72.5 | 0 | 0 | 0 | 112.9 | K82 F89 | K82-D132 PolarHBondContact NZ-O 3.15Å; K82-D132 VanDerWaalsContact NZ-O 3.09Å; K82-D132 IonicContact NZ-OD1 2.64Å; K82-D132 PolarHBondContact NZ-OD1 3.16Å; K82-D132 IonicContact NZ-OD2 3.32Å; K82-D132 PolarHBondContact NZ-OD2 3.32Å; F89-D132 HydrophobicContact CE1-CB 4.45Å; F89-D132 WeakPolarHBondContact CE1-OD2 3.47Å; F89-D132 HydrophobicContact CE2-CB 4.34Å; F89-D132 HydrophobicContact CZ-CB 3.75Å; F89-D132 VanDerWaalsContact CZ-OD2 3.28Å; F89-D132 WeakPolarHBondContact CZ-OD2 3.41Å |
| 133 | E | 41.8 | Very low | 42.2 | Very low | 155 Ų | 155 | 70.3 Ų | 70.3 | 72% | 0.724 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -26.5 | 177.6 | -66.5 | -148.8 | 117.4 | 0 | 0 | 115.1 | D131 C135 Q136 | D131-E133 PolarHBondContact O-N 3.01Å; E133-C135 VanDerWaalsContact C-N 3.29Å; E133-Q136 VanDerWaalsContact O-CG 3.25Å; E133-Q136 WeakPolarHBondContact O-CG 3.43Å; E133-Q136 PolarHBondContact O-NE2 3.1Å |
| 134 | L | 40.5 | Very low | 41.5 | Very low | 59 Ų | 59 | 75.7 Ų | 75.7 | 31% | 0.309 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -22.4 | 177.4 | -81.8 | 115.1 | 0 | 0 | 0 | 112.3 | A110 D131 Q136 | A110-L134 HydrophobicContact CB-CD2 3.98Å; A110-L134 PolarHBondContact N-O 3.11Å; D131-L134 HydrophobicContact CB-CD1 4.04Å; D131-L134 PolarHBondContact O-N 3.24Å; L134-Q136 PolarHBondContact O-N 2.9Å |
| 135 | C | 42.2 | Very low | 40.6 | Very low | 7 Ų | 7 | 84.6 Ų | 84.6 | 5% | 0.047 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -90.7 | 57.2 | 175.9 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | F89 F91 L109 C128 E133 | F89-C135 HydrophobicContact CB-CB 4.33Å; F89-C135 HydrophobicContact CD2-CB 4.37Å; F89-C135 HydrophobicContact CG-CB 4.49Å; F91-C135 HydrophobicContact CE2-CB 3.79Å; F91-C135 HydrophobicContact CZ-CB 3.77Å; F91-C135 WeakPolarHBondContact CZ-O 3.4Å; L109-C135 VanDerWaalsContact CD2-CA 3.48Å; L109-C135 HydrophobicContact CD2-CB 3.74Å; C128-C135 WeakPolarHBondContact CB-SG 3.3Å; C128-C135 WeakPolarHBondContact SG-CB 3.4Å; C128-C135 CovalentContact SG-SG 2.05Å; C128-C135 PolarHBondContact SG-SG 3.34Å; E133-C135 VanDerWaalsContact C-N 3.29Å |
| 136 | Q | 42.5 | Very low | 40.3 | Very low | 130 Ų | 130 | 88.2 Ų | 88.2 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | trans | -81 | 149.3 | 173.3 | -82 | 173.3 | 22.6 | 0 | 0 | 111.5 | E133 L134 | E133-Q136 VanDerWaalsContact O-CG 3.25Å; E133-Q136 WeakPolarHBondContact O-CG 3.43Å; E133-Q136 PolarHBondContact O-NE2 3.1Å; L134-Q136 PolarHBondContact O-N 2.9Å | ||
| 137 | R | 43.8 | Very low | 39.8 | Very low | 123 Ų | 123 | 92.5 Ų | 92.5 | 46% | 0.464 | 50% | 0.501 | S | S | . | . | trans | -41.9 | 134.4 | -177.4 | -172.9 | -178.2 | -177 | 172.3 | 4.3 | 111.3 | ||||
| 138 | P | 41.8 | Very low | 39.5 | Very low | 22 Ų | 22 | 96.6 Ų | 96.6 | 14% | 0.143 | 52% | 0.522 | C | S | . | . | trans | -55.8 | 135.4 | 170.8 | 14 | -23.4 | 0 | 0 | 0 | 110.6 | L140 | P138-L140 PolarHBondContact O-N 3.47Š| ||
| 139 | P | 37.3 | Very low | 39.1 | Very low | 82 Ų | 82 | 102.2 Ų | 102.2 | 53% | 0.532 | 55% | 0.552 | S | S | . | * | trans | -61.4 | 132.1 | 168.4 | 24.7 | -30.6 | 0 | 0 | 0 | 109.1 | S141 | P139-S141 PolarHBondContact O-N 3.13Å; P139-S141 VanDerWaalsContact O-N 3.08Å | ||
| 140 | L | 39.9 | Very low | 39 | Very low | 97 Ų | 97 | 103.8 Ų | 103.8 | 51% | 0.508 | 56% | 0.564 | S | S | . | * | trans | -66.4 | 103.6 | 170 | -78.9 | 156.8 | 0 | 0 | 0 | 107.7 | P138 N142 | P138-L140 PolarHBondContact O-N 3.47Å; L140-N142 PolarHBondContact O-N 2.76Å | ||
| 141 | S | 34.7 | Very low | 38.4 | Very low | 95 Ų | 95 | 109.2 Ų | 109.2 | 66% | 0.664 | 59% | 0.586 | S | S | * | * | trans | -76 | 107.5 | 165.9 | -173 | 0 | 0 | 0 | 0 | 108 | P139 Q143 | P139-S141 PolarHBondContact O-N 3.13Å; P139-S141 VanDerWaalsContact O-N 3.08Å; S141-Q143 PolarHBondContact O-N 2.77Å | ||
| 142 | N | 32.5 | Very low | 38 | Very low | 156 Ų | 156 | 108.3 Ų | 108.3 | 83% | 0.834 | 58% | 0.582 | S | S | * | * | trans | -73.6 | 42.3 | 173.1 | -84.4 | -9.6 | 0 | 0 | 0 | 112.4 | L140 | L140-N142 PolarHBondContact O-N 2.76Š| ||
| 143 | Q | 28.5 | Very low | 37.5 | Very low | 164 Ų | 164 | 110.6 Ų | 110.6 | 77% | 0.766 | 59% | 0.594 | S | S | * | * | trans | -134.3 | 93.1 | 178.1 | -67 | -162.7 | 4.2 | 0 | 0 | 110.7 | S141 | S141-Q143 PolarHBondContact O-N 2.77Š| ||
| 144 | V | 31.9 | Very low | 37.2 | Very low | 142 Ų | 142 | 106.9 Ų | 106.9 | 86% | 0.861 | 58% | 0.583 | S | S | * | * | trans | -123.6 | 95.1 | 148 | -177.1 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 145 | T | 30.5 | Very low | 36.9 | Very low | 206 Ų | 206 | 111.3 Ų | 111.3 | 100% | 1.264 | 61% | 0.608 | S | S | * | * | trans | -70 | 0 | 153.1 | 36.9 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 145 of 145 residues in 278.3 ms
(Link to these results)