| 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 | 58.2 | Low | 63.7 | Low | 212 Ų | 212 | 128.9 Ų | 128.9 | 100% | 1.044 | 66% | 0.661 | S | S | * | * | 0 | -61.1 | 0 | -86.3 | 178.2 | 159.6 | 0 | 0 | 114.3 | I3 V4 | M1-I3 VanDerWaalsContact C-N 3.31Å; M1-I3 PolarHBondContact O-N 3.38Å; M1-I3 VanDerWaalsContact O-N 3.1Å; M1-V4 PolarHBondContact O-N 3.3Å | |||
| 2 | K | 55 | Low | 63.3 | Low | 195 Ų | 195 | 124.5 Ų | 124.5 | 85% | 0.848 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -50.1 | -40 | -171.4 | -67.1 | -176 | 177.3 | -179.2 | 0 | 116 | V4 C5 S6 | K2-V4 PolarHBondContact O-N 3.21Å; K2-C5 PolarHBondContact O-N 2.88Å; K2-S6 PolarHBondContact O-N 3.21Å |
| 3 | I | 66.1 | Low | 62.8 | Low | 132 Ų | 132 | 122.5 Ų | 122.5 | 68% | 0.677 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.8 | -38.4 | 179.7 | -66.6 | 167.8 | 0 | 0 | 0 | 112.4 | M1 S6 I7 | M1-I3 VanDerWaalsContact C-N 3.31Å; M1-I3 PolarHBondContact O-N 3.38Å; M1-I3 VanDerWaalsContact O-N 3.1Å; I3-S6 PolarHBondContact O-N 3.08Å; I3-I7 HydrophobicContact CG2-CD1 3.94Å; I3-I7 WeakPolarHBondContact O-CG1 3.5Å; I3-I7 PolarHBondContact O-N 2.88Å; I3-I7 VanDerWaalsContact O-N 3.16Å |
| 4 | V | 67 | Low | 62.1 | Low | 104 Ų | 104 | 118.7 Ų | 118.7 | 63% | 0.63 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.8 | -40.5 | -177.5 | -175.5 | 0 | 0 | 0 | 0 | 111 | M1 K2 S6 I7 L8 | M1-V4 PolarHBondContact O-N 3.3Å; K2-V4 PolarHBondContact O-N 3.21Å; V4-S6 VanDerWaalsContact C-N 3.34Å; V4-S6 PolarHBondContact O-N 3.37Å; V4-I7 PolarHBondContact O-N 3.28Å; V4-L8 WeakPolarHBondContact O-CB 3.38Å; V4-L8 PolarHBondContact O-N 3.3Å |
| 5 | C | 62.2 | Low | 61.5 | Low | 92 Ų | 92 | 116.5 Ų | 116.5 | 62% | 0.622 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.8 | -40.3 | 173.3 | -78.8 | 0 | 0 | 0 | 0 | 112.5 | K2 L8 F9 | K2-C5 PolarHBondContact O-N 2.88Å; C5-L8 PolarHBondContact O-N 3.32Å; C5-F9 WeakPolarHBondContact O-CB 3.25Å; C5-F9 PolarHBondContact O-N 3.13Å |
| 6 | S | 68.6 | Low | 60.7 | Low | 72 Ų | 72 | 119.7 Ų | 119.7 | 50% | 0.503 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.1 | -42.8 | -179 | -158.5 | 0 | 0 | 0 | 0 | 112.1 | K2 I3 V4 F9 L10 | K2-S6 PolarHBondContact O-N 3.21Å; I3-S6 PolarHBondContact O-N 3.08Å; V4-S6 VanDerWaalsContact C-N 3.34Å; V4-S6 PolarHBondContact O-N 3.37Å; S6-F9 PolarHBondContact O-N 2.72Å; S6-L10 WeakPolarHBondContact O-CG 3.28Å; S6-L10 PolarHBondContact O-N 2.8Å |
| 7 | I | 71.7 | Confident | 59.5 | Low | 98 Ų | 98 | 116.4 Ų | 116.4 | 50% | 0.503 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.1 | -41.6 | 175.8 | -64 | 168.1 | 0 | 0 | 0 | 110.9 | I3 V4 F9 L10 F11 | I3-I7 HydrophobicContact CG2-CD1 3.94Å; I3-I7 WeakPolarHBondContact O-CG1 3.5Å; I3-I7 PolarHBondContact O-N 2.88Å; I3-I7 VanDerWaalsContact O-N 3.16Å; V4-I7 PolarHBondContact O-N 3.28Å; I7-F9 VanDerWaalsContact C-N 3.34Å; I7-F9 PolarHBondContact O-N 3.11Å; I7-L10 PolarHBondContact O-N 2.93Å; I7-F11 PolarHBondContact O-N 3.49Å |
| 8 | L | 64 | Low | 58.6 | Low | 117 Ų | 117 | 115.9 Ų | 115.9 | 61% | 0.613 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64 | -39.6 | 176.2 | -155 | 81.3 | 0 | 0 | 0 | 111.7 | V4 C5 F11 V12 | V4-L8 WeakPolarHBondContact O-CB 3.38Å; V4-L8 PolarHBondContact O-N 3.3Å; C5-L8 PolarHBondContact O-N 3.32Å; L8-F11 PolarHBondContact O-N 3.34Å; L8-V12 VanDerWaalsContact O-CG2 3.27Å; L8-V12 WeakPolarHBondContact O-CG2 3.41Å; L8-V12 PolarHBondContact O-N 3.35Å |
| 9 | F | 66.3 | Low | 57.4 | Low | 140 Ų | 140 | 116.1 Ų | 116.1 | 61% | 0.614 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.3 | -41.7 | 177.9 | -148 | -95.8 | 0 | 0 | 0 | 111.7 | C5 S6 I7 F11 V12 L13 | C5-F9 WeakPolarHBondContact O-CB 3.25Å; C5-F9 PolarHBondContact O-N 3.13Å; S6-F9 PolarHBondContact O-N 2.72Å; I7-F9 VanDerWaalsContact C-N 3.34Å; I7-F9 PolarHBondContact O-N 3.11Å; F9-F11 VanDerWaalsContact C-N 3.35Å; F9-V12 PolarHBondContact O-N 3.45Å; F9-L13 HydrophobicContact CD1-CD1 3.65Å; F9-L13 HydrophobicContact CD1-CG 4.1Å; F9-L13 HydrophobicContact CE1-CD1 3.87Å; F9-L13 HydrophobicContact CE1-CG 4.24Å; F9-L13 WeakPolarHBondContact O-CB 3.33Å; F9-L13 VanDerWaalsContact O-CG 3.31Å; F9-L13 WeakPolarHBondContact O-CG 3.42Å; F9-L13 PolarHBondContact O-N 2.88Å |
| 10 | L | 64.4 | Low | 56.5 | Low | 113 Ų | 113 | 115.6 Ų | 115.6 | 59% | 0.592 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.7 | -39.4 | 172.1 | -73.4 | 169.2 | 0 | 0 | 0 | 112.1 | S6 I7 S14 | S6-L10 WeakPolarHBondContact O-CG 3.28Å; S6-L10 PolarHBondContact O-N 2.8Å; I7-L10 PolarHBondContact O-N 2.93Å; L10-S14 WeakPolarHBondContact O-CB 3.22Å; L10-S14 PolarHBondContact O-N 2.81Å |
| 11 | F | 57.5 | Low | 56 | Low | 143 Ų | 143 | 119.3 Ų | 119.3 | 63% | 0.627 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.1 | -42.9 | 173.5 | -111 | -88.7 | 0 | 0 | 0 | 112.4 | I7 L8 F9 S14 V15 | I7-F11 PolarHBondContact O-N 3.49Å; L8-F11 PolarHBondContact O-N 3.34Å; F9-F11 VanDerWaalsContact C-N 3.35Å; F11-S14 PolarHBondContact O-N 2.85Å; F11-V15 WeakPolarHBondContact O-CB 3.5Å; F11-V15 VanDerWaalsContact O-CG2 3.27Å; F11-V15 WeakPolarHBondContact O-CG2 3.23Å; F11-V15 PolarHBondContact O-N 3.37Å |
| 12 | V | 59.2 | Low | 55.2 | Low | 76 Ų | 76 | 120.3 Ų | 120.3 | 46% | 0.461 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.3 | -38.7 | 177.8 | 173 | 0 | 0 | 0 | 0 | 112 | L8 F9 K16 | L8-V12 VanDerWaalsContact O-CG2 3.27Å; L8-V12 WeakPolarHBondContact O-CG2 3.41Å; L8-V12 PolarHBondContact O-N 3.35Å; F9-V12 PolarHBondContact O-N 3.45Å; V12-K16 WeakPolarHBondContact O-CB 3.28Å; V12-K16 PolarHBondContact O-N 3.36Å |
| 13 | L | 56.2 | Low | 54.9 | Low | 99 Ų | 99 | 115.4 Ų | 115.4 | 52% | 0.518 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.8 | -41.7 | 173.4 | -72.1 | 173.2 | 0 | 0 | 0 | 111.6 | F9 K16 G17 | F9-L13 HydrophobicContact CD1-CD1 3.65Å; F9-L13 HydrophobicContact CD1-CG 4.1Å; F9-L13 HydrophobicContact CE1-CD1 3.87Å; F9-L13 HydrophobicContact CE1-CG 4.24Å; F9-L13 WeakPolarHBondContact O-CB 3.33Å; F9-L13 VanDerWaalsContact O-CG 3.31Å; F9-L13 WeakPolarHBondContact O-CG 3.42Å; F9-L13 PolarHBondContact O-N 2.88Å; L13-K16 PolarHBondContact O-N 2.84Å; L13-G17 PolarHBondContact O-N 3.41Å |
| 14 | S | 53 | Low | 54.2 | Low | 69 Ų | 69 | 112 Ų | 112 | 48% | 0.483 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.6 | -41.5 | 176.2 | -167.7 | 0 | 0 | 0 | 0 | 111.8 | L10 F11 K16 G17 V18 | L10-S14 WeakPolarHBondContact O-CB 3.22Å; L10-S14 PolarHBondContact O-N 2.81Å; F11-S14 PolarHBondContact O-N 2.85Å; S14-K16 PolarHBondContact O-N 3.3Å; S14-G17 PolarHBondContact O-N 3.42Å; S14-V18 VanDerWaalsContact O-CB 3.27Å; S14-V18 WeakPolarHBondContact O-CB 3.48Å; S14-V18 VanDerWaalsContact O-CG2 3.28Å; S14-V18 WeakPolarHBondContact O-CG2 3.38Å; S14-V18 PolarHBondContact O-N 2.85Å |
| 15 | V | 52.7 | Low | 53.6 | Low | 85 Ų | 85 | 113.7 Ų | 113.7 | 52% | 0.515 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.3 | -36 | 174.7 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | F11 I19 | F11-V15 WeakPolarHBondContact O-CB 3.5Å; F11-V15 VanDerWaalsContact O-CG2 3.27Å; F11-V15 WeakPolarHBondContact O-CG2 3.23Å; F11-V15 PolarHBondContact O-N 3.37Å; V15-I19 WeakPolarHBondContact O-CG1 3.43Å; V15-I19 PolarHBondContact O-N 2.85Å |
| 16 | K | 49.5 | Very low | 53.2 | Low | 168 Ų | 168 | 116 Ų | 116 | 73% | 0.73 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.8 | -31 | 172.4 | -79.1 | -174.7 | 172.7 | -176.7 | 0 | 113.6 | V12 L13 S14 | V12-K16 WeakPolarHBondContact O-CB 3.28Å; V12-K16 PolarHBondContact O-N 3.36Å; L13-K16 PolarHBondContact O-N 2.84Å; S14-K16 PolarHBondContact O-N 3.3Å |
| 17 | G | 40 | Very low | 52.7 | Low | 64 Ų | 64 | 114.3 Ų | 114.3 | 66% | 0.66 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -84 | -20.9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | L13 S14 | L13-G17 PolarHBondContact O-N 3.41Å; S14-G17 PolarHBondContact O-N 3.42Å |
| 18 | V | 42.4 | Very low | 51.9 | Low | 107 Ų | 107 | 115.8 Ų | 115.8 | 65% | 0.648 | 59% | 0.591 | S | S | * | * | trans | -117.7 | 17.6 | -172.5 | -168.5 | 0 | 0 | 0 | 0 | 112.5 | S14 S20 | S14-V18 VanDerWaalsContact O-CB 3.27Å; S14-V18 WeakPolarHBondContact O-CB 3.48Å; S14-V18 VanDerWaalsContact O-CG2 3.28Å; S14-V18 WeakPolarHBondContact O-CG2 3.38Å; S14-V18 PolarHBondContact O-N 2.85Å; V18-S20 PolarHBondContact O-N 2.96Å | ||
| 19 | I | 36.6 | Very low | 51.9 | Low | 119 Ų | 119 | 119.1 Ų | 119.1 | 61% | 0.61 | 60% | 0.601 | S | S | * | * | trans | -73 | 71.7 | 149.4 | -60.7 | 161.5 | 0 | 0 | 0 | 107.3 | V15 R21 | V15-I19 WeakPolarHBondContact O-CG1 3.43Å; V15-I19 PolarHBondContact O-N 2.85Å; I19-R21 HydrophobicContact CG2-CG 4.18Å; I19-R21 PolarHBondContact O-N 3.32Å | ||
| 20 | S | 40.2 | Very low | 52.5 | Low | 106 Ų | 106 | 114.6 Ų | 114.6 | 74% | 0.741 | 58% | 0.583 | S | S | * | * | trans | -61 | 96 | 155 | -178.8 | 0 | 0 | 0 | 0 | 105.6 | V18 R22 | V18-S20 PolarHBondContact O-N 2.96Å; S20-R22 PolarHBondContact O-N 2.94Å | ||
| 21 | R | 44.4 | Very low | 53.4 | Low | 195 Ų | 195 | 110.5 Ų | 110.5 | 74% | 0.736 | 56% | 0.563 | S | S | * | * | trans | -55.9 | 108.1 | 175.9 | -70.8 | -177.1 | 179.7 | -176 | -0.3 | 106 | I19 P23 | I19-R21 HydrophobicContact CG2-CG 4.18Å; I19-R21 PolarHBondContact O-N 3.32Å; R21-P23 VanDerWaalsContact O-N 3.11Å | ||
| 22 | R | 41.7 | Very low | 55 | Low | 233 Ų | 233 | 103.8 Ų | 103.8 | 88% | 0.879 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -49.9 | 125 | 163.8 | -88.1 | -175.7 | 173.5 | 172.9 | -0.9 | 105.5 | S20 D24 | S20-R22 PolarHBondContact O-N 2.94Å; R22-D24 PolarHBondContact O-N 3.48Å; R22-D24 VanDerWaalsContact O-N 3.11Å |
| 23 | P | 49.3 | Very low | 56.5 | Low | 92 Ų | 92 | 101.7 Ų | 101.7 | 60% | 0.597 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 126.7 | 175.5 | 23.2 | -32.2 | 0 | 0 | 0 | 106.7 | R21 I25 | R21-P23 VanDerWaalsContact O-N 3.11Å; P23-I25 PolarHBondContact O-N 2.89Å |
| 24 | D | 50.2 | Low | 58.3 | Low | 60 Ų | 60 | 97.2 Ų | 97.2 | 32% | 0.321 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -51.7 | 134.3 | 173.6 | -173.2 | -30.9 | 0 | 0 | 0 | 107.3 | R22 R26 Y27 | R22-D24 PolarHBondContact O-N 3.48Å; R22-D24 VanDerWaalsContact O-N 3.11Å; D24-R26 PolarHBondContact O-N 3.45Å; D24-R26 WeakPolarHBondContact OD1-CG 3.28Å; D24-R26 PolarHBondContact OD1-N 3.43Å; D24-R26 IonicContact OD1-NE 3.19Å; D24-R26 PolarHBondContact OD1-NE 2.87Å; D24-R26 IonicContact OD2-CZ 3.31Å; D24-R26 IonicContact OD2-NE 3.49Å; D24-R26 PolarHBondContact OD2-NE 3.47Å; D24-R26 IonicContact OD2-NH2 2.78Å; D24-R26 PolarHBondContact OD2-NH2 3.43Å; D24-Y27 HydrophobicContact CB-CD2 3.67Å; D24-Y27 HydrophobicContact CB-CE2 3.63Å; D24-Y27 PolarHBondContact O-N 2.86Å |
| 25 | I | 55.3 | Low | 60.2 | Low | 140 Ų | 140 | 96.5 Ų | 96.5 | 72% | 0.718 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -55.7 | -26.4 | -175.9 | -62.3 | 171.3 | 0 | 0 | 0 | 110.2 | P23 Y27 L28 | P23-I25 PolarHBondContact O-N 2.89Å; I25-Y27 VanDerWaalsContact C-N 3.33Å; I25-Y27 PolarHBondContact O-N 3.48Å; I25-L28 WeakPolarHBondContact O-CB 3.46Å; I25-L28 PolarHBondContact O-N 3.38Å; I25-L28 VanDerWaalsContact O-N 3.13Å |
| 26 | R | 53.2 | Low | 62.2 | Low | 141 Ų | 141 | 92.5 Ų | 92.5 | 53% | 0.532 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -52.9 | -44.1 | 170.7 | -65.6 | -174.8 | -74.8 | 156.5 | 7.3 | 112.8 | D24 L28 K29 E38 | D24-R26 PolarHBondContact O-N 3.45Å; D24-R26 WeakPolarHBondContact OD1-CG 3.28Å; D24-R26 PolarHBondContact OD1-N 3.43Å; D24-R26 IonicContact OD1-NE 3.19Å; D24-R26 PolarHBondContact OD1-NE 2.87Å; D24-R26 IonicContact OD2-CZ 3.31Å; D24-R26 IonicContact OD2-NE 3.49Å; D24-R26 PolarHBondContact OD2-NE 3.47Å; D24-R26 IonicContact OD2-NH2 2.78Å; D24-R26 PolarHBondContact OD2-NH2 3.43Å; R26-L28 VanDerWaalsContact C-N 3.3Å; R26-L28 PolarHBondContact O-N 3.3Å; R26-K29 PolarHBondContact O-N 2.91Å; R26-E38 IonicContact CZ-OE1 3.59Å; R26-E38 IonicContact NH1-OE1 2.7Å; R26-E38 PolarHBondContact NH1-OE1 3.31Å; R26-E38 IonicContact NH2-OE1 2.72Å; R26-E38 PolarHBondContact NH2-OE1 2.96Å; R26-E38 IonicContact NH2-OE2 3.44Å; R26-E38 PolarHBondContact NH2-OE2 3.49Å |
| 27 | Y | 58.4 | Low | 64.2 | Low | 36 Ų | 36 | 88.7 Ų | 88.7 | 14% | 0.141 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -79.7 | -7.4 | 179.8 | -50.2 | -51 | 0 | 0 | 0 | 114.3 | D24 I25 K29 D30 P31 E38 C42 | D24-Y27 HydrophobicContact CB-CD2 3.67Å; D24-Y27 HydrophobicContact CB-CE2 3.63Å; D24-Y27 PolarHBondContact O-N 2.86Å; I25-Y27 VanDerWaalsContact C-N 3.33Å; I25-Y27 PolarHBondContact O-N 3.48Å; Y27-K29 VanDerWaalsContact C-N 3.3Å; Y27-D30 CarbonylContact O-C 3.53Å; Y27-P31 WeakPolarHBondContact O-CA 3.3Å; Y27-E38 PolarHBondContact OH-OE2 3.37Å; Y27-E38 VanDerWaalsContact OH-OE2 3.1Å; Y27-C42 HydrophobicContact CD1-CB 3.81Å; Y27-C42 HydrophobicContact CE1-CB 3.36Å; Y27-C42 HydrophobicContact CE2-CB 4.33Å; Y27-C42 HydrophobicContact CG-CB 4.49Å; Y27-C42 VanDerWaalsContact CZ-CA 3.45Å |
| 28 | L | 55.4 | Low | 66.4 | Low | 128 Ų | 128 | 90.2 Ų | 90.2 | 67% | 0.67 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -76 | -22.6 | 172.7 | -159.8 | 73.3 | 0 | 0 | 0 | 111.9 | I25 R26 | I25-L28 WeakPolarHBondContact O-CB 3.46Å; I25-L28 PolarHBondContact O-N 3.38Å; I25-L28 VanDerWaalsContact O-N 3.13Å; R26-L28 VanDerWaalsContact C-N 3.3Å; R26-L28 PolarHBondContact O-N 3.3Å |
| 29 | K | 64.7 | Low | 68.6 | Low | 188 Ų | 188 | 87.3 Ų | 87.3 | 82% | 0.817 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -92.6 | -36.3 | -179.8 | -167.2 | 177.4 | 179.4 | -175 | 0 | 112.8 | R26 Y27 | R26-K29 PolarHBondContact O-N 2.91Å; Y27-K29 VanDerWaalsContact C-N 3.3Å |
| 30 | D | 78.4 | Confident | 71.3 | Confident | 45 Ų | 45 | 83.1 Ų | 83.1 | 24% | 0.241 | 42% | 0.415 | C | S | . | . | trans | -129.4 | 102.2 | 167.5 | -170.2 | -26 | 0 | 0 | 0 | 109.3 | Y27 V32 S33 S206 | Y27-D30 CarbonylContact O-C 3.53Å; D30-V32 PolarHBondContact O-N 3.46Å; D30-V32 PolarHBondContact OD1-N 3.36Å; D30-S33 VanDerWaalsContact CG-OG 3.27Å; D30-S33 PolarHBondContact OD1-N 2.82Å; D30-S33 PolarHBondContact OD1-OG 3.34Å; D30-S33 WeakPolarHBondContact OD2-CB 3.42Å; D30-S33 PolarHBondContact OD2-OG 3.04Å; D30-S206 PolarHBondContact OD1-OG 2.92Å; D30-S206 PolarHBondContact OD2-OG 2.78Å | ||
| 31 | P | 82.7 | Confident | 73.7 | Confident | 27 Ų | 27 | 80.5 Ų | 80.5 | 18% | 0.175 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -83 | 4.7 | -177.6 | 32.9 | -33.8 | 0 | 0 | 0 | 113.7 | Y27 G96 V98 | Y27-P31 WeakPolarHBondContact O-CA 3.3Å; P31-G96 WeakPolarHBondContact O-CA 3.42Å; P31-G96 PolarHBondContact O-N 3.14Å; P31-G96 VanDerWaalsContact O-N 3.11Å; P31-V98 HydrophobicContact CG-CG2 4.3Å |
| 32 | V | 90.8 | Very high | 75.9 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -123.5 | -41.5 | -172.1 | -175.5 | 0 | 0 | 0 | 0 | 112.5 | D30 C34 W44 V98 I106 L109 L184 I204 | D30-V32 PolarHBondContact O-N 3.46Å; D30-V32 PolarHBondContact OD1-N 3.36Å; V32-C34 PolarHBondContact O-N 2.82Å; V32-W44 HydrophobicContact CG1-CZ2 3.94Å; V32-W44 PolarHBondContact O-NE1 3.32Å; V32-V98 HydrophobicContact CG2-CG2 3.4Å; V32-I106 HydrophobicContact CB-CD1 4.41Å; V32-I106 HydrophobicContact CG2-CD1 3.85Å; V32-L109 HydrophobicContact CG1-CD1 3.48Å; V32-L109 VanDerWaalsContact CG1-CD1 3.48Å; V32-L184 HydrophobicContact CG1-CD1 3.69Å; V32-L184 HydrophobicContact CG2-CD1 4.27Å; V32-I204 HydrophobicContact CG1-CG2 4.24Å |
| 33 | S | 92.1 | Very high | 78.2 | Confident | 32 Ų | 32 | 62.3 Ų | 62.3 | 22% | 0.224 | 33% | 0.331 | C | S | . | . | trans | -65.3 | 131.5 | -178 | -62.9 | 0 | 0 | 0 | 0 | 111.9 | D30 I204 S206 | D30-S33 VanDerWaalsContact CG-OG 3.27Å; D30-S33 PolarHBondContact OD1-N 2.82Å; D30-S33 PolarHBondContact OD1-OG 3.34Å; D30-S33 WeakPolarHBondContact OD2-CB 3.42Å; D30-S33 PolarHBondContact OD2-OG 3.04Å; S33-I204 CarbonylContact C-O 3.52Å; S33-I204 WeakPolarHBondContact CA-O 3.39Å; S33-S206 PolarHBondContact OG-N 2.83Å | ||
| 34 | C | 94.1 | Very high | 80.3 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -157.2 | 128.1 | 177.2 | -168 | 0 | 0 | 0 | 0 | 111 | V32 F36 C42 I204 | V32-C34 PolarHBondContact O-N 2.82Å; C34-F36 HydrophobicContact CB-CE1 4.29Å; C34-F36 HydrophobicContact CB-CZ 4.28Å; C34-F36 WeakPolarHBondContact SG-CD1 3.37Å; C34-F36 WeakPolarHBondContact SG-CE1 3.03Å; C34-C42 WeakPolarHBondContact CA-SG 3.23Å; C34-C42 HydrophobicContact CB-CB 3.59Å; C34-C42 WeakPolarHBondContact CB-SG 3.45Å; C34-C42 WeakPolarHBondContact SG-CB 3.23Å; C34-C42 CovalentContact SG-SG 2.04Å; C34-C42 PolarHBondContact SG-SG 3.5Å; C34-I204 PolarHBondContact N-O 2.87Å; C34-I204 PolarHBondContact O-N 2.8Å |
| 35 | S | 92.9 | Very high | 82.3 | Confident | 53 Ų | 53 | 60.5 Ų | 60.5 | 37% | 0.371 | 32% | 0.316 | S | S | . | . | trans | -105.8 | 4.6 | 172.7 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | E37 | S35-E37 PolarHBondContact O-N 3.43Š| ||
| 36 | F | 93.4 | Very high | 84 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | trans | 54.8 | -3.8 | 179.7 | -51.5 | -74.1 | 0 | 0 | 0 | 117.8 | C34 E38 G39 N40 F41 V57 H66 A68 V201 I204 | C34-F36 HydrophobicContact CB-CE1 4.29Å; C34-F36 HydrophobicContact CB-CZ 4.28Å; C34-F36 WeakPolarHBondContact SG-CD1 3.37Å; C34-F36 WeakPolarHBondContact SG-CE1 3.03Å; F36-E38 PolarHBondContact O-N 3.27Å; F36-G39 WeakPolarHBondContact O-CA 3.32Å; F36-G39 PolarHBondContact O-N 3.18Å; F36-N40 WeakPolarHBondContact CD1-O 3.3Å; F36-F41 HydrophobicContact CD1-CD1 4.5Å; F36-F41 HydrophobicContact CE1-CD1 4.07Å; F36-V57 HydrophobicContact CB-CG1 3.95Å; F36-V57 HydrophobicContact CB-CG2 4.44Å; F36-V57 HydrophobicContact CD1-CG2 3.73Å; F36-V57 HydrophobicContact CE1-CG2 4.46Å; F36-V57 HydrophobicContact CG-CG2 4.39Å; F36-H66 HydrophobicContact CB-CB 4.21Å; F36-H66 VanDerWaalsContact O-CB 3.31Å; F36-H66 WeakPolarHBondContact O-CB 3.32Å; F36-A68 HydrophobicContact CD1-CB 4.06Å; F36-A68 HydrophobicContact CD2-CB 4.3Å; F36-A68 HydrophobicContact CE1-CB 3.67Å; F36-A68 HydrophobicContact CE2-CB 3.91Å; F36-A68 HydrophobicContact CG-CB 4.37Å; F36-A68 HydrophobicContact CZ-CB 3.58Å; F36-V201 WeakPolarHBondContact CE2-O 3.4Å; F36-I204 HydrophobicContact CE2-CD1 4.12Å; F36-I204 HydrophobicContact CE2-CG1 4.34Å; F36-I204 HydrophobicContact CZ-CD1 3.87Å | ||
| 37 | E | 91 | Very high | 85.8 | Confident | 88 Ų | 88 | 49.8 Ų | 49.8 | 41% | 0.411 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -22.1 | -174.8 | -66.5 | -60.1 | 176.5 | 0 | 0 | 115.2 | S35 G39 T65 H66 | S35-E37 PolarHBondContact O-N 3.43Å; E37-G39 PolarHBondContact O-N 3.42Å; E37-T65 WeakPolarHBondContact OE1-CB 3.39Å; E37-T65 PolarHBondContact OE1-OG1 3.06Å; E37-H66 IonicContact OE2-CE1 2.79Å; E37-H66 IonicContact OE2-CG 2.86Å; E37-H66 PolarHBondContact OE2-N 2.88Å; E37-H66 IonicContact OE2-ND1 3.22Å; E37-H66 PolarHBondContact OE2-ND1 3.33Å |
| 38 | E | 87.6 | Confident | 87.1 | Confident | 97 Ų | 97 | 53.8 Ų | 53.8 | 45% | 0.453 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 9.6 | 171 | -63.1 | -169.7 | 166 | 0 | 0 | 113.4 | R26 Y27 F36 N40 | R26-E38 IonicContact CZ-OE1 3.59Å; R26-E38 IonicContact NH1-OE1 2.7Å; R26-E38 PolarHBondContact NH1-OE1 3.31Å; R26-E38 IonicContact NH2-OE1 2.72Å; R26-E38 PolarHBondContact NH2-OE1 2.96Å; R26-E38 IonicContact NH2-OE2 3.44Å; R26-E38 PolarHBondContact NH2-OE2 3.49Å; Y27-E38 PolarHBondContact OH-OE2 3.37Å; Y27-E38 VanDerWaalsContact OH-OE2 3.1Å; F36-E38 PolarHBondContact O-N 3.27Å; E38-N40 WeakPolarHBondContact CB-ND2 3.49Å; E38-N40 PolarHBondContact O-N 3.43Å; E38-N40 PolarHBondContact OE2-ND2 2.86Å |
| 39 | G | 89.1 | Confident | 88.6 | Confident | 45 Ų | 45 | 55.9 Ų | 55.9 | 46% | 0.464 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 22 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F36 E37 | F36-G39 WeakPolarHBondContact O-CA 3.32Å; F36-G39 PolarHBondContact O-N 3.18Å; E37-G39 PolarHBondContact O-N 3.42Å |
| 40 | N | 91.6 | Very high | 89.6 | Confident | 31 Ų | 31 | 48.7 Ų | 48.7 | 17% | 0.166 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -137.5 | 161.3 | -173.3 | 76.5 | 55 | 0 | 0 | 0 | 112 | F36 E38 C42 | F36-N40 WeakPolarHBondContact CD1-O 3.3Å; E38-N40 WeakPolarHBondContact CB-ND2 3.49Å; E38-N40 PolarHBondContact O-N 3.43Å; E38-N40 PolarHBondContact OE2-ND2 2.86Å; N40-C42 PolarHBondContact O-N 3.43Å; N40-C42 WeakPolarHBondContact OD1-CA 3.48Å; N40-C42 PolarHBondContact OD1-N 2.95Å |
| 41 | F | 91.7 | Very high | 89.7 | Confident | 52 Ų | 52 | 51.2 Ų | 51.2 | 23% | 0.228 | 29% | 0.287 | C | S | . | . | trans | -77.3 | 9.1 | -178.2 | -71.3 | -75.1 | 0 | 0 | 0 | 114.8 | F36 G43 W44 W55 V57 A68 L93 | F36-F41 HydrophobicContact CD1-CD1 4.5Å; F36-F41 HydrophobicContact CE1-CD1 4.07Å; F41-G43 PolarHBondContact O-N 2.93Å; F41-G43 VanDerWaalsContact O-N 3.15Å; F41-W44 HydrophobicContact CB-CB 4.24Å; F41-W44 VanDerWaalsContact CB-O 3.23Å; F41-W44 WeakPolarHBondContact CB-O 3.35Å; F41-W44 WeakPolarHBondContact O-CA 3.22Å; F41-W44 VanDerWaalsContact O-CB 3.28Å; F41-W44 WeakPolarHBondContact O-CB 3.46Å; F41-W44 PolarHBondContact O-N 2.85Å; F41-W55 HydrophobicContact CE1-CB 4.07Å; F41-W55 HydrophobicContact CZ-CB 4.22Å; F41-W55 WeakPolarHBondContact CZ-O 3.45Å; F41-V57 HydrophobicContact CD1-CG2 3.69Å; F41-V57 HydrophobicContact CD2-CG2 4.2Å; F41-V57 HydrophobicContact CE1-CG2 3.65Å; F41-V57 HydrophobicContact CE2-CG2 4.17Å; F41-V57 HydrophobicContact CG-CG2 3.97Å; F41-V57 HydrophobicContact CZ-CG2 3.9Å; F41-A68 HydrophobicContact CE1-CB 4.09Å; F41-L93 HydrophobicContact CD1-CD1 3.66Å; F41-L93 HydrophobicContact CD1-CD2 4.35Å; F41-L93 HydrophobicContact CE1-CD1 3.65Å | ||
| 42 | C | 91 | Very high | 89.9 | Confident | 29 Ų | 29 | 52.5 Ų | 52.5 | 20% | 0.196 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | -114.2 | -171 | -51.5 | 0 | 0 | 0 | 0 | 111.7 | Y27 C34 N40 | Y27-C42 HydrophobicContact CD1-CB 3.81Å; Y27-C42 HydrophobicContact CE1-CB 3.36Å; Y27-C42 HydrophobicContact CE2-CB 4.33Å; Y27-C42 HydrophobicContact CG-CB 4.49Å; Y27-C42 VanDerWaalsContact CZ-CA 3.45Å; C34-C42 WeakPolarHBondContact CA-SG 3.23Å; C34-C42 HydrophobicContact CB-CB 3.59Å; C34-C42 WeakPolarHBondContact CB-SG 3.45Å; C34-C42 WeakPolarHBondContact SG-CB 3.23Å; C34-C42 CovalentContact SG-SG 2.04Å; C34-C42 PolarHBondContact SG-SG 3.5Å; N40-C42 PolarHBondContact O-N 3.43Å; N40-C42 WeakPolarHBondContact OD1-CA 3.48Å; N40-C42 PolarHBondContact OD1-N 2.95Å |
| 43 | G | 88.7 | Confident | 89.9 | Confident | 17 Ų | 17 | 52.4 Ų | 52.4 | 18% | 0.175 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 0.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115 | F41 N45 G96 | F41-G43 PolarHBondContact O-N 2.93Å; F41-G43 VanDerWaalsContact O-N 3.15Å; G43-N45 PolarHBondContact O-ND2 2.77Å; G43-G96 PolarHBondContact O-N 2.79Å |
| 44 | W | 93.8 | Very high | 89.9 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 2% | 0.019 | 30% | 0.297 | C | S | . | . | trans | -78.1 | 153.8 | 176.5 | -64.4 | 77.1 | 0 | 0 | 0 | 111.5 | V32 F41 L93 W94 S95 L184 L186 I204 | V32-W44 HydrophobicContact CG1-CZ2 3.94Å; V32-W44 PolarHBondContact O-NE1 3.32Å; F41-W44 HydrophobicContact CB-CB 4.24Å; F41-W44 VanDerWaalsContact CB-O 3.23Å; F41-W44 WeakPolarHBondContact CB-O 3.35Å; F41-W44 WeakPolarHBondContact O-CA 3.22Å; F41-W44 VanDerWaalsContact O-CB 3.28Å; F41-W44 WeakPolarHBondContact O-CB 3.46Å; F41-W44 PolarHBondContact O-N 2.85Å; W44-L93 HydrophobicContact CB-CD1 4.28Å; W44-L93 HydrophobicContact CB-CD2 4.18Å; W44-L93 HydrophobicContact CB-CG 4.04Å; W44-L93 HydrophobicContact CD2-CD2 4.29Å; W44-L93 HydrophobicContact CD2-CG 4.43Å; W44-L93 HydrophobicContact CE3-CB 4.38Å; W44-L93 HydrophobicContact CE3-CD2 4Å; W44-L93 HydrophobicContact CE3-CG 3.86Å; W44-L93 HydrophobicContact CG-CD2 4.4Å; W44-L93 WeakPolarHBondContact CZ3-O 3.4Å; W44-W94 CarbonylContact C-O 3.57Å; W44-W94 WeakPolarHBondContact CA-O 3.41Å; W44-S95 VanDerWaalsContact CE3-N 3.26Å; W44-L184 HydrophobicContact CH2-CB 4Å; W44-L186 HydrophobicContact CH2-CD1 4.03Å; W44-L186 HydrophobicContact CH2-CG 4.28Å; W44-L186 HydrophobicContact CZ3-CD1 3.97Å; W44-L186 HydrophobicContact CZ3-CG 4.13Å; W44-I204 HydrophobicContact CD2-CD1 4.47Å; W44-I204 HydrophobicContact CH2-CD1 4.35Å; W44-I204 HydrophobicContact CZ2-CD1 3.79Å; W44-I204 HydrophobicContact CZ2-CG2 3.95Å | ||
| 45 | N | 93 | Very high | 89.9 | Confident | 108 Ų | 108 | 55.2 Ų | 55.2 | 58% | 0.578 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 136.1 | 178.9 | -64.7 | -90.4 | 0 | 0 | 0 | 110.5 | G43 W94 | G43-N45 PolarHBondContact O-ND2 2.77Å; N45-W94 PolarHBondContact N-O 3Å; N45-W94 PolarHBondContact O-N 2.85Å |
| 46 | D | 91.2 | Very high | 90 | Very high | 50 Ų | 50 | 56.6 Ų | 56.6 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 149.1 | 171.2 | -169.3 | 57.9 | 0 | 0 | 0 | 110.6 | P48 W55 L93 | D46-P48 WeakPolarHBondContact O-CD 3.08Å; D46-W55 WeakPolarHBondContact OD1-CB 3.46Å; D46-W55 VanDerWaalsContact OD1-CD1 3.3Å; D46-W55 PolarHBondContact OD1-N 3.06Å; D46-L93 HydrophobicContact CB-CD1 4.48Å |
| 47 | D | 91 | Very high | 90.1 | Very high | 6 Ų | 6 | 57.6 Ų | 57.6 | 3% | 0.032 | 30% | 0.304 | C | S | . | . | trans | -87.8 | 108 | 179.7 | -163.1 | -31.3 | 0 | 0 | 0 | 110.6 | R49 D50 R92 W94 | D47-R49 PolarHBondContact O-N 3.01Å; D47-R49 WeakPolarHBondContact OD1-CB 3.38Å; D47-R49 IonicContact OD1-CZ 3.93Å; D47-R49 PolarHBondContact OD1-N 3.36Å; D47-R49 IonicContact OD1-NE 3.47Å; D47-R49 PolarHBondContact OD1-NE 3.22Å; D47-R49 IonicContact OD1-NH2 3.74Å; D47-R49 PolarHBondContact OD1-NH2 3.26Å; D47-R49 IonicContact OD2-CZ 2.77Å; D47-R49 IonicContact OD2-NE 3.55Å; D47-R49 IonicContact OD2-NH2 2.88Å; D47-R49 PolarHBondContact OD2-NH2 3.4Å; D47-D50 PolarHBondContact O-N 3.41Å; D47-R92 HydrophobicContact CB-CB 3.93Å; D47-R92 WeakPolarHBondContact CB-O 3.32Å; D47-R92 PolarHBondContact N-O 2.92Å; D47-W94 PolarHBondContact OD2-NE1 3.38Å | ||
| 48 | P | 85.9 | Confident | 90.2 | Very high | 120 Ų | 120 | 55 Ų | 55 | 78% | 0.779 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 1.4 | -172.8 | 30.7 | -38 | 0 | 0 | 0 | 114.3 | D46 | D46-P48 WeakPolarHBondContact O-CD 3.08Š|
| 49 | R | 86.2 | Confident | 90.5 | Very high | 173 Ų | 173 | 54.8 Ų | 54.8 | 65% | 0.653 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -17.1 | 173.6 | -62.2 | 172.7 | -68.4 | -174.8 | 1.6 | 112.5 | D47 V51 | D47-R49 PolarHBondContact O-N 3.01Å; D47-R49 WeakPolarHBondContact OD1-CB 3.38Å; D47-R49 IonicContact OD1-CZ 3.93Å; D47-R49 PolarHBondContact OD1-N 3.36Å; D47-R49 IonicContact OD1-NE 3.47Å; D47-R49 PolarHBondContact OD1-NE 3.22Å; D47-R49 IonicContact OD1-NH2 3.74Å; D47-R49 PolarHBondContact OD1-NH2 3.26Å; D47-R49 IonicContact OD2-CZ 2.77Å; D47-R49 IonicContact OD2-NE 3.55Å; D47-R49 IonicContact OD2-NH2 2.88Å; D47-R49 PolarHBondContact OD2-NH2 3.4Å; R49-V51 PolarHBondContact O-N 3.25Å |
| 50 | D | 85.6 | Confident | 90.6 | Very high | 36 Ų | 36 | 53.2 Ų | 53.2 | 19% | 0.193 | 27% | 0.272 | C | S | . | . | trans | -83.8 | 92.9 | -179.5 | -66 | -24.4 | 0 | 0 | 0 | 109 | D47 A91 R92 | D47-D50 PolarHBondContact O-N 3.41Å; D50-A91 HydrophobicContact CB-CB 4.1Å; D50-A91 VanDerWaalsContact OD2-CA 3.3Å; D50-A91 WeakPolarHBondContact OD2-CA 3.44Å; D50-R92 WeakPolarHBondContact OD2-CB 3.15Å; D50-R92 PolarHBondContact OD2-N 3.32Å | ||
| 51 | V | 81.4 | Confident | 90.6 | Very high | 98 Ų | 98 | 55.7 Ų | 55.7 | 59% | 0.594 | 29% | 0.289 | S | S | * | . | trans | -88.1 | -13 | -172.8 | -61.4 | 0 | 0 | 0 | 0 | 114.6 | R49 | R49-V51 PolarHBondContact O-N 3.25Š| ||
| 52 | L | 86.2 | Confident | 90.4 | Very high | 54 Ų | 54 | 60.5 Ų | 60.5 | 28% | 0.283 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -96.4 | -19.3 | -175.1 | -62.2 | -178.8 | 0 | 0 | 0 | 113.2 | L72 S73 F77 V87 | L52-L72 WeakPolarHBondContact O-CD1 3.47Å; L52-S73 WeakPolarHBondContact O-CB 3.36Å; L52-S73 PolarHBondContact O-N 2.68Å; L52-F77 HydrophobicContact CD2-CD2 4.31Å; L52-F77 HydrophobicContact CD2-CE2 3.75Å; L52-F77 HydrophobicContact CD2-CZ 4.4Å; L52-V87 HydrophobicContact CD1-CB 4.27Å; L52-V87 HydrophobicContact CD1-CG1 3.71Å |
| 53 | A | 89.9 | Confident | 90.3 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 157.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | L70 H71 A91 | A53-L70 HydrophobicContact CB-CD1 3.88Å; A53-L70 HydrophobicContact CB-CG 4.46Å; A53-H71 CarbonylContact C-O 3.58Å; A53-H71 WeakPolarHBondContact CA-O 3.44Å; A53-H71 VanDerWaalsContact CB-O 3.23Å; A53-H71 WeakPolarHBondContact CB-O 3.48Å; A53-A91 HydrophobicContact CB-CB 4.06Å; A53-A91 VanDerWaalsContact O-CB 3.25Å; A53-A91 WeakPolarHBondContact O-CB 3.44Å |
| 54 | W | 92.4 | Very high | 90.4 | Very high | 90 Ų | 90 | 68.8 Ų | 68.8 | 34% | 0.341 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 156.4 | 175.6 | 64.2 | 89.8 | 0 | 0 | 0 | 110.5 | H71 | W54-H71 HydrophobicContact CD2-CB 4.22Å; W54-H71 HydrophobicContact CZ2-CB 3.89Å; W54-H71 PolarHBondContact N-O 2.87Å; W54-H71 PolarHBondContact O-N 3.02Å |
| 55 | W | 94.8 | Very high | 90.3 | Very high | 6 Ų | 6 | 69.3 Ų | 69.3 | 2% | 0.023 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 139.6 | 168.8 | -68.6 | 88.7 | 0 | 0 | 0 | 111 | F41 D46 A68 L70 A91 L93 L126 I199 V201 | F41-W55 HydrophobicContact CE1-CB 4.07Å; F41-W55 HydrophobicContact CZ-CB 4.22Å; F41-W55 WeakPolarHBondContact CZ-O 3.45Å; D46-W55 WeakPolarHBondContact OD1-CB 3.46Å; D46-W55 VanDerWaalsContact OD1-CD1 3.3Å; D46-W55 PolarHBondContact OD1-N 3.06Å; W55-A68 HydrophobicContact CE3-CB 4.16Å; W55-A68 WeakPolarHBondContact CZ3-O 3.47Å; W55-L70 HydrophobicContact CD2-CB 4.42Å; W55-L70 HydrophobicContact CD2-CD1 4.38Å; W55-L70 HydrophobicContact CE3-CB 4.24Å; W55-L70 HydrophobicContact CH2-CB 4.24Å; W55-L70 HydrophobicContact CZ2-CB 4.4Å; W55-L70 HydrophobicContact CZ3-CB 4.14Å; W55-A91 PolarHBondContact NE1-O 3.01Å; W55-L93 HydrophobicContact CB-CD1 3.94Å; W55-L93 HydrophobicContact CD2-CB 4.19Å; W55-L93 HydrophobicContact CG-CB 3.96Å; W55-L93 HydrophobicContact CG-CD1 4.15Å; W55-L93 HydrophobicContact CG-CG 4.48Å; W55-L126 HydrophobicContact CH2-CD1 4.08Å; W55-L126 HydrophobicContact CZ2-CD1 4.32Å; W55-I199 HydrophobicContact CH2-CG2 4.48Å; W55-V201 HydrophobicContact CH2-CG2 3.89Å; W55-V201 HydrophobicContact CZ3-CB 4.46Å; W55-V201 HydrophobicContact CZ3-CG2 3.96Å |
| 56 | Q | 94.2 | Very high | 90.4 | Very high | 82 Ų | 82 | 66.5 Ų | 66.5 | 38% | 0.383 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 128.9 | 175.4 | -173.1 | 174.1 | -6.8 | 0 | 0 | 110.3 | I58 C69 H71 | Q56-I58 HydrophobicContact CB-CG2 4.42Å; Q56-I58 HydrophobicContact CG-CG2 3.9Å; Q56-I58 PolarHBondContact O-N 2.84Å; Q56-C69 PolarHBondContact N-O 3.46Å; Q56-C69 PolarHBondContact O-N 3.35Å; Q56-H71 PolarHBondContact OE1-CE1 3.27Å |
| 57 | V | 95.2 | Very high | 90.6 | Very high | 23 Ų | 23 | 64.1 Ų | 64.1 | 14% | 0.139 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 121.2 | 168.1 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | F36 F41 H66 A67 | F36-V57 HydrophobicContact CB-CG1 3.95Å; F36-V57 HydrophobicContact CB-CG2 4.44Å; F36-V57 HydrophobicContact CD1-CG2 3.73Å; F36-V57 HydrophobicContact CE1-CG2 4.46Å; F36-V57 HydrophobicContact CG-CG2 4.39Å; F41-V57 HydrophobicContact CD1-CG2 3.69Å; F41-V57 HydrophobicContact CD2-CG2 4.2Å; F41-V57 HydrophobicContact CE1-CG2 3.65Å; F41-V57 HydrophobicContact CE2-CG2 4.17Å; F41-V57 HydrophobicContact CG-CG2 3.97Å; F41-V57 HydrophobicContact CZ-CG2 3.9Å; V57-H66 HydrophobicContact CG1-CB 4.18Å; V57-A67 WeakPolarHBondContact CA-O 3.17Å |
| 58 | I | 94.1 | Very high | 90.9 | Very high | 32 Ų | 32 | 63.8 Ų | 63.8 | 16% | 0.164 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 149.1 | 176 | 63.7 | 172.6 | 0 | 0 | 0 | 110.3 | Q56 L60 H66 A67 C69 | Q56-I58 HydrophobicContact CB-CG2 4.42Å; Q56-I58 HydrophobicContact CG-CG2 3.9Å; Q56-I58 PolarHBondContact O-N 2.84Å; I58-L60 HydrophobicContact CD1-CD2 3.95Å; I58-L60 HydrophobicContact CG1-CD2 4.26Å; I58-H66 WeakPolarHBondContact O-CA 3.17Å; I58-A67 PolarHBondContact N-O 3.22Å; I58-A67 PolarHBondContact O-N 3.4Å; I58-C69 HydrophobicContact CD1-CB 3.84Å; I58-C69 VanDerWaalsContact CD1-SG 3.57Å; I58-C69 HydrophobicContact CG1-CB 3.94Å; I58-C69 WeakPolarHBondContact CG1-SG 3.29Å |
| 59 | H | 94.2 | Very high | 91.3 | Very high | 94 Ų | 94 | 58.1 Ų | 58.1 | 44% | 0.435 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 130.2 | 167.2 | -179.5 | -117.7 | 0 | 0 | 0 | 109.2 | P61 T65 H66 | H59-P61 WeakPolarHBondContact O-CD 3.41Å; H59-T65 PolarHBondContact CD2-O 3.06Å; H59-H66 AromaticContact CD2-CE1 3.76Å; H59-H66 AromaticContact CD2-NE2 3.91Å |
| 60 | L | 91.6 | Very high | 91.7 | Very high | 11 Ų | 11 | 49.9 Ų | 49.9 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 99.3 | 175.9 | -67.9 | 173 | 0 | 0 | 0 | 108.9 | I58 E62 F63 H64 T65 A67 L116 W168 C200 | I58-L60 HydrophobicContact CD1-CD2 3.95Å; I58-L60 HydrophobicContact CG1-CD2 4.26Å; L60-E62 PolarHBondContact O-N 3.36Å; L60-F63 HydrophobicContact CB-CD2 4.15Å; L60-F63 HydrophobicContact CD1-CD2 4.3Å; L60-F63 PolarHBondContact O-N 3.47Å; L60-F63 VanDerWaalsContact O-N 3.1Å; L60-H64 PolarHBondContact O-N 2.91Å; L60-T65 PolarHBondContact N-O 2.82Å; L60-A67 HydrophobicContact CD1-CB 3.71Å; L60-A67 HydrophobicContact CG-CB 4.48Å; L60-L116 HydrophobicContact CD2-CD1 4.09Å; L60-W168 HydrophobicContact CD1-CH2 4.2Å; L60-W168 HydrophobicContact CD1-CZ2 3.77Å; L60-C200 HydrophobicContact CD1-CB 4.21Å |
| 61 | P | 90.5 | Very high | 91.8 | Very high | 83 Ų | 83 | 49.4 Ų | 49.4 | 54% | 0.539 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -31.3 | -170.9 | -23.4 | 34.7 | 0 | 0 | 0 | 113.9 | H59 F63 H64 | H59-P61 WeakPolarHBondContact O-CD 3.41Å; P61-F63 VanDerWaalsContact C-N 3.25Å; P61-F63 PolarHBondContact O-N 2.89Å; P61-H64 PolarHBondContact O-CE1 2.94Å; P61-H64 PolarHBondContact O-N 2.86Å; P61-H64 PolarHBondContact O-ND1 2.9Å |
| 62 | E | 87.6 | Confident | 92.1 | Very high | 153 Ų | 153 | 45.6 Ų | 45.6 | 72% | 0.715 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -27.4 | 178.9 | -66.8 | 158.9 | -174.4 | 0 | 0 | 113 | L60 | L60-E62 PolarHBondContact O-N 3.36Š|
| 63 | F | 88.9 | Confident | 91.7 | Very high | 63 Ų | 63 | 44.4 Ų | 44.4 | 28% | 0.276 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -1.2 | -177.6 | -59 | -70.5 | 0 | 0 | 0 | 113.3 | L60 P61 T65 I114 L116 W168 | L60-F63 HydrophobicContact CB-CD2 4.15Å; L60-F63 HydrophobicContact CD1-CD2 4.3Å; L60-F63 PolarHBondContact O-N 3.47Å; L60-F63 VanDerWaalsContact O-N 3.1Å; P61-F63 VanDerWaalsContact C-N 3.25Å; P61-F63 PolarHBondContact O-N 2.89Å; F63-T65 HydrophobicContact CB-CG2 3.8Å; F63-T65 PolarHBondContact O-N 3.3Å; F63-I114 HydrophobicContact CE1-CD1 4.2Å; F63-I114 HydrophobicContact CE2-CD1 3.81Å; F63-I114 HydrophobicContact CZ-CD1 3.41Å; F63-I114 VanDerWaalsContact CZ-CD1 3.41Å; F63-L116 HydrophobicContact CE2-CD2 4.34Å; F63-W168 AromaticContact CD1-CD1 3.67Å; F63-W168 AromaticContact CD1-NE1 3.26Å; F63-W168 VanDerWaalsContact CD1-NE1 3.26Å; F63-W168 HydrophobicContact CD2-CZ2 4.44Å; F63-W168 AromaticContact CD2-NE1 3.61Å; F63-W168 AromaticContact CE1-CD1 3.72Å; F63-W168 AromaticContact CE1-NE1 3.56Å; F63-W168 AromaticContact CE2-NE1 3.9Å; F63-W168 AromaticContact CG-NE1 3.28Å; F63-W168 VanDerWaalsContact CG-NE1 3.28Å; F63-W168 AromaticContact CZ-NE1 3.88Å |
| 64 | H | 90.6 | Very high | 90.7 | Very high | 157 Ų | 157 | 49.1 Ų | 49.1 | 73% | 0.727 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 39 | -178 | -57.6 | -56.3 | 0 | 0 | 0 | 114.4 | L60 P61 | L60-H64 PolarHBondContact O-N 2.91Å; P61-H64 PolarHBondContact O-CE1 2.94Å; P61-H64 PolarHBondContact O-N 2.86Å; P61-H64 PolarHBondContact O-ND1 2.9Å |
| 65 | T | 92.6 | Very high | 89.1 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 10% | 0.098 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 161.1 | -176.6 | -176.1 | 0 | 0 | 0 | 0 | 111 | E37 H59 L60 F63 W168 | E37-T65 WeakPolarHBondContact OE1-CB 3.39Å; E37-T65 PolarHBondContact OE1-OG1 3.06Å; H59-T65 PolarHBondContact CD2-O 3.06Å; L60-T65 PolarHBondContact N-O 2.82Å; F63-T65 HydrophobicContact CB-CG2 3.8Å; F63-T65 PolarHBondContact O-N 3.3Å; T65-W168 HydrophobicContact CG2-CZ2 4.48Å |
| 66 | H | 94.4 | Very high | 87 | Confident | 49 Ų | 49 | 50.8 Ų | 50.8 | 23% | 0.227 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 137.1 | 169.2 | -63.7 | 80.4 | 0 | 0 | 0 | 110.7 | F36 E37 V57 I58 H59 | F36-H66 HydrophobicContact CB-CB 4.21Å; F36-H66 VanDerWaalsContact O-CB 3.31Å; F36-H66 WeakPolarHBondContact O-CB 3.32Å; E37-H66 IonicContact OE2-CE1 2.79Å; E37-H66 IonicContact OE2-CG 2.86Å; E37-H66 PolarHBondContact OE2-N 2.88Å; E37-H66 IonicContact OE2-ND1 3.22Å; E37-H66 PolarHBondContact OE2-ND1 3.33Å; V57-H66 HydrophobicContact CG1-CB 4.18Å; I58-H66 WeakPolarHBondContact O-CA 3.17Å; H59-H66 AromaticContact CD2-CE1 3.76Å; H59-H66 AromaticContact CD2-NE2 3.91Å |
| 67 | A | 95.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 149.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V57 I58 L60 C69 W168 C200 D202 | V57-A67 WeakPolarHBondContact CA-O 3.17Å; I58-A67 PolarHBondContact N-O 3.22Å; I58-A67 PolarHBondContact O-N 3.4Å; L60-A67 HydrophobicContact CD1-CB 3.71Å; L60-A67 HydrophobicContact CG-CB 4.48Å; A67-C69 PolarHBondContact O-N 2.89Å; A67-W168 HydrophobicContact CB-CH2 3.81Å; A67-W168 HydrophobicContact CB-CZ2 4.47Å; A67-C200 HydrophobicContact CB-CB 4.11Å; A67-D202 HydrophobicContact CB-CB 4.2Å |
| 68 | A | 96.1 | Very high | 82.3 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 110.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | F36 F41 W55 L93 C200 V201 | F36-A68 HydrophobicContact CD1-CB 4.06Å; F36-A68 HydrophobicContact CD2-CB 4.3Å; F36-A68 HydrophobicContact CE1-CB 3.67Å; F36-A68 HydrophobicContact CE2-CB 3.91Å; F36-A68 HydrophobicContact CG-CB 4.37Å; F36-A68 HydrophobicContact CZ-CB 3.58Å; F41-A68 HydrophobicContact CE1-CB 4.09Å; W55-A68 HydrophobicContact CE3-CB 4.16Å; W55-A68 WeakPolarHBondContact CZ3-O 3.47Å; A68-L93 HydrophobicContact CB-CD2 4.32Å; A68-C200 CarbonylContact O-C 3.51Å; A68-C200 WeakPolarHBondContact O-CA 3.43Å; A68-V201 PolarHBondContact N-O 2.74Å; A68-V201 PolarHBondContact O-N 2.88Å |
| 69 | C | 95.1 | Very high | 80 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136.6 | 179.7 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | Q56 I58 A67 I199 C200 | Q56-C69 PolarHBondContact N-O 3.46Å; Q56-C69 PolarHBondContact O-N 3.35Å; I58-C69 HydrophobicContact CD1-CB 3.84Å; I58-C69 VanDerWaalsContact CD1-SG 3.57Å; I58-C69 HydrophobicContact CG1-CB 3.94Å; I58-C69 WeakPolarHBondContact CG1-SG 3.29Å; A67-C69 PolarHBondContact O-N 2.89Å; C69-I199 CarbonylContact C-O 3.6Å; C69-I199 VanDerWaalsContact CA-O 3.3Å; C69-I199 WeakPolarHBondContact CA-O 3.1Å; C69-C200 HydrophobicContact CB-CB 4.16Å; C69-C200 WeakPolarHBondContact CB-SG 3.49Å; C69-C200 WeakPolarHBondContact SG-CB 3.18Å; C69-C200 CovalentContact SG-SG 2.04Å; C69-C200 PolarHBondContact SG-SG 2.85Å |
| 70 | L | 93.8 | Very high | 77.9 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 126.8 | 172.3 | -176.7 | 67.2 | 0 | 0 | 0 | 110.2 | A53 W55 A91 G188 I190 I199 | A53-L70 HydrophobicContact CB-CD1 3.88Å; A53-L70 HydrophobicContact CB-CG 4.46Å; W55-L70 HydrophobicContact CD2-CB 4.42Å; W55-L70 HydrophobicContact CD2-CD1 4.38Å; W55-L70 HydrophobicContact CE3-CB 4.24Å; W55-L70 HydrophobicContact CH2-CB 4.24Å; W55-L70 HydrophobicContact CZ2-CB 4.4Å; W55-L70 HydrophobicContact CZ3-CB 4.14Å; L70-A91 HydrophobicContact CD1-CB 3.43Å; L70-A91 VanDerWaalsContact CD1-CB 3.43Å; L70-G188 VanDerWaalsContact CD2-C 3.41Å; L70-G188 WeakPolarHBondContact CD2-O 3.44Å; L70-I190 HydrophobicContact CB-CD1 4.34Å; L70-I190 HydrophobicContact CD2-CD1 3.6Å; L70-I190 HydrophobicContact CD2-CG1 3.78Å; L70-I190 HydrophobicContact CG-CD1 3.74Å; L70-I190 HydrophobicContact CG-CG1 4.47Å; L70-I199 HydrophobicContact CB-CB 4.17Å; L70-I199 HydrophobicContact CD2-CD1 3.82Å; L70-I199 HydrophobicContact CD2-CG1 4.23Å; L70-I199 PolarHBondContact N-O 3.25Å |
| 71 | H | 89.3 | Confident | 75.8 | Confident | 27 Ų | 27 | 70.4 Ų | 70.4 | 13% | 0.125 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 131.7 | 176 | -80.5 | -139.2 | 0 | 0 | 0 | 110 | A53 W54 Q56 R198 | A53-H71 CarbonylContact C-O 3.58Å; A53-H71 WeakPolarHBondContact CA-O 3.44Å; A53-H71 VanDerWaalsContact CB-O 3.23Å; A53-H71 WeakPolarHBondContact CB-O 3.48Å; W54-H71 HydrophobicContact CD2-CB 4.22Å; W54-H71 HydrophobicContact CZ2-CB 3.89Å; W54-H71 PolarHBondContact N-O 2.87Å; W54-H71 PolarHBondContact O-N 3.02Å; Q56-H71 PolarHBondContact OE1-CE1 3.27Å; H71-R198 PolarHBondContact CE1-NH1 2.9Å; H71-R198 PolarHBondContact NE2-NH1 2.99Å |
| 72 | L | 86.7 | Confident | 73.9 | Confident | 18 Ų | 18 | 70.5 Ų | 70.5 | 9% | 0.094 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 138.8 | 170.6 | -169.8 | 69.6 | 0 | 0 | 0 | 110 | L52 T74 G89 P195 | L52-L72 WeakPolarHBondContact O-CD1 3.47Å; L72-T74 PolarHBondContact O-N 2.87Å; L72-G89 VanDerWaalsContact CD1-CA 3.48Å; L72-P195 HydrophobicContact CD2-CB 4.39Å |
| 73 | S | 79.1 | Confident | 72.3 | Confident | 28 Ų | 28 | 69.5 Ų | 69.5 | 20% | 0.196 | 39% | 0.385 | C | S | . | . | trans | -67.4 | 117.2 | 170.7 | -169.7 | 0 | 0 | 0 | 0 | 110.4 | L52 S75 | L52-S73 WeakPolarHBondContact O-CB 3.36Å; L52-S73 PolarHBondContact O-N 2.68Å; S73-S75 VanDerWaalsContact C-N 3.27Å; S73-S75 PolarHBondContact OG-N 3.36Å; S73-S75 PolarHBondContact OG-OG 2.93Å | ||
| 74 | T | 67 | Low | 70.6 | Confident | 99 Ų | 99 | 73.9 Ų | 73.9 | 61% | 0.607 | 40% | 0.404 | S | S | * | . | trans | -87.1 | 3.1 | 173.3 | 55 | 0 | 0 | 0 | 0 | 112.7 | L72 P76 | L72-T74 PolarHBondContact O-N 2.87Å; T74-P76 WeakPolarHBondContact O-CD 3.33Å | ||
| 75 | S | 58.9 | Low | 68.9 | Low | 57 Ų | 57 | 71.5 Ų | 71.5 | 40% | 0.399 | 40% | 0.395 | S | S | . | . | trans | -60.4 | 123.2 | 176.7 | 62.9 | 0 | 0 | 0 | 0 | 109.8 | S73 F77 | S73-S75 VanDerWaalsContact C-N 3.27Å; S73-S75 PolarHBondContact OG-N 3.36Å; S73-S75 PolarHBondContact OG-OG 2.93Å; S75-F77 PolarHBondContact O-N 3.33Å | ||
| 76 | P | 50.7 | Low | 67.5 | Low | 75 Ų | 75 | 74.6 Ų | 74.6 | 49% | 0.487 | 41% | 0.411 | S | S | . | . | trans | -65.2 | 101.8 | 168.9 | 27.7 | -32.4 | 0 | 0 | 0 | 108.1 | T74 F78 | T74-P76 WeakPolarHBondContact O-CD 3.33Å; P76-F78 HydrophobicContact CB-CD2 4.14Å; P76-F78 HydrophobicContact CB-CE1 4.34Å; P76-F78 HydrophobicContact CB-CE2 3.92Å; P76-F78 HydrophobicContact CB-CG 4.47Å; P76-F78 HydrophobicContact CB-CZ 4.02Å; P76-F78 HydrophobicContact CG-CD2 4.16Å; P76-F78 HydrophobicContact CG-CE2 3.54Å; P76-F78 HydrophobicContact CG-CZ 3.77Å; P76-F78 VanDerWaalsContact O-CD2 3.31Å; P76-F78 WeakPolarHBondContact O-CD2 3.49Å; P76-F78 PolarHBondContact O-N 3.44Å | ||
| 77 | F | 51.2 | Low | 66.6 | Low | 113 Ų | 113 | 75 Ų | 75 | 50% | 0.496 | 42% | 0.417 | S | S | . | . | trans | -64.2 | 94.1 | 151.8 | -74.8 | -81.2 | 0 | 0 | 0 | 105.6 | L52 S75 V79 | L52-F77 HydrophobicContact CD2-CD2 4.31Å; L52-F77 HydrophobicContact CD2-CE2 3.75Å; L52-F77 HydrophobicContact CD2-CZ 4.4Å; S75-F77 PolarHBondContact O-N 3.33Å; F77-V79 PolarHBondContact O-N 2.82Å | ||
| 78 | F | 40.7 | Very low | 66.1 | Low | 180 Ų | 180 | 80.4 Ų | 80.4 | 79% | 0.789 | 44% | 0.442 | S | S | * | . | trans | -63.8 | 92.1 | 172.4 | -69.7 | -82.5 | 0 | 0 | 0 | 107.8 | P76 | P76-F78 HydrophobicContact CB-CD2 4.14Å; P76-F78 HydrophobicContact CB-CE1 4.34Å; P76-F78 HydrophobicContact CB-CE2 3.92Å; P76-F78 HydrophobicContact CB-CG 4.47Å; P76-F78 HydrophobicContact CB-CZ 4.02Å; P76-F78 HydrophobicContact CG-CD2 4.16Å; P76-F78 HydrophobicContact CG-CE2 3.54Å; P76-F78 HydrophobicContact CG-CZ 3.77Å; P76-F78 VanDerWaalsContact O-CD2 3.31Å; P76-F78 WeakPolarHBondContact O-CD2 3.49Å; P76-F78 PolarHBondContact O-N 3.44Å | ||
| 79 | V | 46.5 | Very low | 65.6 | Low | 72 Ų | 72 | 80.4 Ų | 80.4 | 44% | 0.436 | 44% | 0.442 | S | S | . | . | trans | -58.4 | 137.3 | 149.7 | -174.7 | 0 | 0 | 0 | 0 | 105.6 | F77 S81 L85 | F77-V79 PolarHBondContact O-N 2.82Å; V79-S81 CarbonylContact O-C 3.52Å; V79-S81 PolarHBondContact O-N 2.91Å; V79-L85 HydrophobicContact CG2-CB 4.06Å; V79-L85 HydrophobicContact CG2-CD2 4.02Å | ||
| 80 | E | 48.2 | Very low | 65.5 | Low | 209 Ų | 209 | 82.1 Ų | 82.1 | 98% | 0.977 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -64.7 | -8.9 | -177.3 | -66.9 | -179.9 | 129.1 | 0 | 0 | 113.2 | ||
| 81 | S | 48.6 | Very low | 65.5 | Low | 80 Ų | 80 | 82.1 Ų | 82.1 | 56% | 0.559 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -93 | 123.8 | 162.4 | -153.4 | 0 | 0 | 0 | 0 | 109 | V79 D83 | V79-S81 CarbonylContact O-C 3.52Å; V79-S81 PolarHBondContact O-N 2.91Å; S81-D83 PolarHBondContact O-N 3.18Å |
| 82 | G | 50.4 | Low | 65.8 | Low | 85 Ų | 85 | 84.6 Ų | 84.6 | 88% | 0.876 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -65.1 | 16.6 | -166.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 83 | D | 53.6 | Low | 66.2 | Low | 132 Ų | 132 | 83.7 Ų | 83.7 | 71% | 0.706 | 46% | 0.457 | S | S | * | . | trans | -73.3 | 124 | 168.5 | -78.5 | -33.5 | 0 | 0 | 0 | 110.4 | S81 L85 | S81-D83 PolarHBondContact O-N 3.18Å; D83-L85 VanDerWaalsContact C-N 3.33Å; D83-L85 PolarHBondContact O-N 2.91Å | ||
| 84 | K | 54.7 | Low | 67 | Low | 155 Ų | 155 | 84.3 Ų | 84.3 | 67% | 0.674 | 46% | 0.455 | S | S | * | . | trans | -66.2 | 92.4 | 170.6 | -177.5 | -177.7 | 179.6 | 179 | 0 | 108.8 | I86 | K84-I86 WeakPolarHBondContact O-CG1 3.47Å; K84-I86 PolarHBondContact O-N 3Å | ||
| 85 | L | 53.8 | Low | 68.3 | Low | 106 Ų | 106 | 79.7 Ų | 79.7 | 56% | 0.555 | 43% | 0.427 | S | S | * | . | trans | -62.6 | 100 | 179.3 | -168.4 | 77.9 | 0 | 0 | 0 | 110.1 | V79 D83 V87 | V79-L85 HydrophobicContact CG2-CB 4.06Å; V79-L85 HydrophobicContact CG2-CD2 4.02Å; D83-L85 VanDerWaalsContact C-N 3.33Å; D83-L85 PolarHBondContact O-N 2.91Å; L85-V87 HydrophobicContact CD2-CG2 3.56Å; L85-V87 HydrophobicContact CG-CG2 3.73Å; L85-V87 PolarHBondContact O-N 3.22Å | ||
| 86 | I | 64.1 | Low | 69.8 | Low | 82 Ų | 82 | 77.7 Ų | 77.7 | 42% | 0.421 | 42% | 0.416 | S | S | . | . | trans | -85 | 102 | 174.1 | -38.4 | 179.9 | 0 | 0 | 0 | 107.3 | K84 A192 | K84-I86 WeakPolarHBondContact O-CG1 3.47Å; K84-I86 PolarHBondContact O-N 3Å; I86-A192 WeakPolarHBondContact O-CB 3.42Å | ||
| 87 | V | 74.6 | Confident | 71.6 | Confident | 58 Ų | 58 | 78.5 Ų | 78.5 | 35% | 0.352 | 41% | 0.413 | S | S | . | . | trans | -91 | 153 | -179.7 | -165.4 | 0 | 0 | 0 | 0 | 109.9 | L52 L85 G89 | L52-V87 HydrophobicContact CD1-CB 4.27Å; L52-V87 HydrophobicContact CD1-CG1 3.71Å; L85-V87 HydrophobicContact CD2-CG2 3.56Å; L85-V87 HydrophobicContact CG-CG2 3.73Å; L85-V87 PolarHBondContact O-N 3.22Å; V87-G89 PolarHBondContact O-N 3.26Å | ||
| 88 | E | 84.6 | Confident | 73.4 | Confident | 112 Ų | 112 | 73.5 Ų | 73.5 | 52% | 0.523 | 39% | 0.392 | S | S | . | . | trans | -62.9 | 127.4 | 164.6 | -179.4 | 173.2 | 132 | 0 | 0 | 109.6 | T189 | E88-T189 HydrophobicContact CG-CG2 3.65Å; E88-T189 VanDerWaalsContact OE1-CG2 3.25Å; E88-T189 WeakPolarHBondContact OE1-CG2 3.47Å | ||
| 89 | G | 86.8 | Confident | 75.6 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 131.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | L72 V87 T189 I190 | L72-G89 VanDerWaalsContact CD1-CA 3.48Å; V87-G89 PolarHBondContact O-N 3.26Å; G89-T189 CarbonylContact O-C 3.59Å; G89-T189 WeakPolarHBondContact O-CA 3.45Å; G89-I190 PolarHBondContact N-O 3.08Å; G89-I190 PolarHBondContact O-N 2.87Å |
| 90 | S | 91.5 | Very high | 77.1 | Confident | 36 Ų | 36 | 72 Ų | 72 | 25% | 0.252 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 140.7 | 173.1 | -163.6 | 0 | 0 | 0 | 0 | 109.4 | G188 T189 | S90-G188 VanDerWaalsContact CA-O 3.26Å; S90-G188 WeakPolarHBondContact CA-O 3.39Å; S90-G188 PolarHBondContact OG-O 2.89Å; S90-T189 PolarHBondContact OG-OG1 3Å |
| 91 | A | 94.5 | Very high | 78.4 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 149.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | D50 A53 W55 L70 E187 G188 | D50-A91 HydrophobicContact CB-CB 4.1Å; D50-A91 VanDerWaalsContact OD2-CA 3.3Å; D50-A91 WeakPolarHBondContact OD2-CA 3.44Å; A53-A91 HydrophobicContact CB-CB 4.06Å; A53-A91 VanDerWaalsContact O-CB 3.25Å; A53-A91 WeakPolarHBondContact O-CB 3.44Å; W55-A91 PolarHBondContact NE1-O 3.01Å; L70-A91 HydrophobicContact CD1-CB 3.43Å; L70-A91 VanDerWaalsContact CD1-CB 3.43Å; A91-E187 WeakPolarHBondContact O-CA 3.32Å; A91-G188 PolarHBondContact N-O 3.48Å; A91-G188 PolarHBondContact O-N 2.97Å; A91-G188 VanDerWaalsContact O-N 3.07Å |
| 92 | R | 95.6 | Very high | 79.3 | Confident | 79 Ų | 79 | 68.6 Ų | 68.6 | 30% | 0.298 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 125.1 | -175.2 | -68.1 | 171.3 | 176.4 | 150.2 | 4.4 | 112.4 | D47 D50 I185 L186 E187 | D47-R92 HydrophobicContact CB-CB 3.93Å; D47-R92 WeakPolarHBondContact CB-O 3.32Å; D47-R92 PolarHBondContact N-O 2.92Å; D50-R92 WeakPolarHBondContact OD2-CB 3.15Å; D50-R92 PolarHBondContact OD2-N 3.32Å; R92-I185 HydrophobicContact CB-CG2 3.87Å; R92-I185 HydrophobicContact CG-CG2 3.99Å; R92-L186 CarbonylContact C-O 3.52Å; R92-L186 WeakPolarHBondContact CA-O 3.4Å; R92-E187 HydrophobicContact CG-CB 4.07Å; R92-E187 HydrophobicContact CG-CG 4Å; R92-E187 IonicContact CZ-OE1 2.72Å; R92-E187 IonicContact NE-OE1 3.18Å; R92-E187 PolarHBondContact NE-OE1 3.26Å; R92-E187 IonicContact NH2-OE1 2.79Å; R92-E187 PolarHBondContact NH2-OE1 3.07Å |
| 93 | L | 95.6 | Very high | 80 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 118 | 170 | -165.6 | 73.3 | 0 | 0 | 0 | 109.3 | F41 W44 D46 W55 A68 I185 L186 | F41-L93 HydrophobicContact CD1-CD1 3.66Å; F41-L93 HydrophobicContact CD1-CD2 4.35Å; F41-L93 HydrophobicContact CE1-CD1 3.65Å; W44-L93 HydrophobicContact CB-CD1 4.28Å; W44-L93 HydrophobicContact CB-CD2 4.18Å; W44-L93 HydrophobicContact CB-CG 4.04Å; W44-L93 HydrophobicContact CD2-CD2 4.29Å; W44-L93 HydrophobicContact CD2-CG 4.43Å; W44-L93 HydrophobicContact CE3-CB 4.38Å; W44-L93 HydrophobicContact CE3-CD2 4Å; W44-L93 HydrophobicContact CE3-CG 3.86Å; W44-L93 HydrophobicContact CG-CD2 4.4Å; W44-L93 WeakPolarHBondContact CZ3-O 3.4Å; D46-L93 HydrophobicContact CB-CD1 4.48Å; W55-L93 HydrophobicContact CB-CD1 3.94Å; W55-L93 HydrophobicContact CD2-CB 4.19Å; W55-L93 HydrophobicContact CG-CB 3.96Å; W55-L93 HydrophobicContact CG-CD1 4.15Å; W55-L93 HydrophobicContact CG-CG 4.48Å; A68-L93 HydrophobicContact CB-CD2 4.32Å; L93-I185 WeakPolarHBondContact O-CA 3.39Å; L93-L186 HydrophobicContact CB-CB 4.31Å; L93-L186 PolarHBondContact N-O 2.77Å; L93-L186 PolarHBondContact O-N 2.79Å |
| 94 | W | 95.1 | Very high | 80.6 | Confident | 40 Ų | 40 | 68.1 Ų | 68.1 | 15% | 0.152 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 132.6 | -176.4 | -69.3 | 80.9 | 0 | 0 | 0 | 111.8 | W44 N45 D47 H131 K183 I185 | W44-W94 CarbonylContact C-O 3.57Å; W44-W94 WeakPolarHBondContact CA-O 3.41Å; N45-W94 PolarHBondContact N-O 3Å; N45-W94 PolarHBondContact O-N 2.85Å; D47-W94 PolarHBondContact OD2-NE1 3.38Å; W94-H131 HydrophobicContact CZ3-CB 3.95Å; W94-H131 AromaticContact CZ3-CG 3.94Å; W94-K183 HydrophobicContact CE3-CB 4.17Å; W94-K183 HydrophobicContact CE3-CD 4.05Å; W94-I185 HydrophobicContact CD2-CD1 4.31Å; W94-I185 HydrophobicContact CD2-CG1 3.92Å; W94-I185 HydrophobicContact CE3-CD1 3.97Å; W94-I185 HydrophobicContact CE3-CG1 3.64Å; W94-I185 HydrophobicContact CH2-CD1 3.41Å; W94-I185 VanDerWaalsContact CH2-CD1 3.41Å; W94-I185 HydrophobicContact CH2-CG1 4.06Å; W94-I185 HydrophobicContact CZ2-CD1 3.76Å; W94-I185 HydrophobicContact CZ2-CG1 4.3Å; W94-I185 HydrophobicContact CZ3-CD1 3.53Å; W94-I185 HydrophobicContact CZ3-CG1 3.72Å |
| 95 | S | 94.2 | Very high | 81.9 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.014 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 168.1 | 176 | 78.3 | 0 | 0 | 0 | 0 | 113 | W44 L184 | W44-S95 VanDerWaalsContact CE3-N 3.26Å; S95-L184 PolarHBondContact N-O 3.36Å; S95-L184 PolarHBondContact OG-N 2.82Å |
| 96 | G | 90.6 | Very high | 83.5 | Confident | 16 Ų | 16 | 59 Ų | 59 | 17% | 0.165 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 159.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P31 G43 V98 | P31-G96 WeakPolarHBondContact O-CA 3.42Å; P31-G96 PolarHBondContact O-N 3.14Å; P31-G96 VanDerWaalsContact O-N 3.11Å; G43-G96 PolarHBondContact O-N 2.79Å; G96-V98 PolarHBondContact O-N 3.47Å |
| 97 | Q | 89.4 | Confident | 84.8 | Confident | 92 Ų | 92 | 58.8 Ų | 58.8 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 116.8 | -178.8 | -177.6 | 162.9 | -24.5 | 0 | 0 | 111.1 | R99 D181 K183 | Q97-R99 PolarHBondContact O-N 3.16Å; Q97-D181 HydrophobicContact CG-CB 4.27Å; Q97-D181 PolarHBondContact NE2-OD2 2.94Å; Q97-K183 HydrophobicContact CB-CG 4.36Å |
| 98 | V | 89.2 | Confident | 85.6 | Confident | 8 Ų | 8 | 56 Ų | 56 | 5% | 0.048 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -78 | 117.4 | 172.2 | -172 | 0 | 0 | 0 | 0 | 108.3 | P31 V32 G96 I106 D181 Y182 | P31-V98 HydrophobicContact CG-CG2 4.3Å; V32-V98 HydrophobicContact CG2-CG2 3.4Å; G96-V98 PolarHBondContact O-N 3.47Å; V98-I106 HydrophobicContact CG1-CD1 3.87Å; V98-I106 HydrophobicContact CG1-CG1 4.45Å; V98-I106 HydrophobicContact CG2-CD1 4.09Å; V98-D181 VanDerWaalsContact O-CA 3.31Å; V98-D181 WeakPolarHBondContact O-CA 3.1Å; V98-Y182 HydrophobicContact CB-CD1 4.22Å; V98-Y182 HydrophobicContact CB-CD2 4.12Å; V98-Y182 HydrophobicContact CB-CE1 3.95Å; V98-Y182 HydrophobicContact CB-CE2 3.84Å; V98-Y182 HydrophobicContact CB-CG 4.31Å; V98-Y182 HydrophobicContact CG1-CD1 4.49Å; V98-Y182 HydrophobicContact CG1-CE1 3.79Å; V98-Y182 HydrophobicContact CG1-CE2 4.22Å; V98-Y182 HydrophobicContact CG2-CD2 4.15Å; V98-Y182 HydrophobicContact CG2-CE2 3.71Å; V98-Y182 PolarHBondContact N-O 2.86Å; V98-Y182 PolarHBondContact O-N 3.37Å |
| 99 | R | 86.9 | Confident | 86.1 | Confident | 182 Ų | 182 | 50.8 Ų | 50.8 | 69% | 0.687 | 26% | 0.256 | S | S | * | . | P | Polyproline II helix | trans | -81 | 135.6 | 175.5 | -68.9 | -177.6 | 178.7 | 160.8 | 1 | 110.9 | Q97 H101 D181 | Q97-R99 PolarHBondContact O-N 3.16Å; R99-H101 PolarHBondContact O-N 2.82Å; R99-D181 VanDerWaalsContact CA-OD1 3.26Å; R99-D181 WeakPolarHBondContact CA-OD1 3.32Å |
| 100 | S | 77.9 | Confident | 86.5 | Confident | 38 Ų | 38 | 50.9 Ų | 50.9 | 27% | 0.266 | 26% | 0.257 | S | S | . | . | trans | -77.6 | 57.7 | 179.1 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | N179 D181 | S100-N179 PolarHBondContact OG-O 3.33Å; S100-D181 PolarHBondContact N-OD1 2.87Å; S100-D181 PolarHBondContact OG-OD1 2.99Å | ||
| 101 | H | 73.9 | Confident | 86.7 | Confident | 115 Ų | 115 | 49.2 Ų | 49.2 | 53% | 0.532 | 25% | 0.246 | S | C | . | . | trans | -83.8 | 136.5 | 178.2 | -152.5 | 65.4 | 0 | 0 | 0 | 110.9 | R99 T103 N104 K105 | R99-H101 PolarHBondContact O-N 2.82Å; H101-T103 VanDerWaalsContact C-N 3.3Å; H101-T103 PolarHBondContact CD2-OG1 3.33Å; H101-T103 PolarHBondContact O-N 3.01Å; H101-N104 PolarHBondContact O-N 3.24Å; H101-K105 WeakPolarHBondContact O-CG 3.42Å | ||
| 102 | P | 67.8 | Low | 86.6 | Confident | 102 Ų | 102 | 52.7 Ų | 52.7 | 66% | 0.662 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26.3 | -169.5 | 23.2 | -34 | 0 | 0 | 0 | 114.8 | ||
| 103 | T | 66.1 | Low | 86.6 | Confident | 104 Ų | 104 | 49.3 Ų | 49.3 | 64% | 0.638 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -25.5 | -176 | 54.5 | 0 | 0 | 0 | 0 | 114.5 | H101 | H101-T103 VanDerWaalsContact C-N 3.3Å; H101-T103 PolarHBondContact CD2-OG1 3.33Å; H101-T103 PolarHBondContact O-N 3.01Å |
| 104 | N | 65.4 | Low | 86.4 | Confident | 103 Ų | 103 | 49.4 Ų | 49.4 | 55% | 0.551 | 25% | 0.248 | S | C | * | . | trans | -123.1 | 52 | -174 | -70.6 | -8.7 | 0 | 0 | 0 | 111.2 | H101 I106 | H101-N104 PolarHBondContact O-N 3.24Å; N104-I106 PolarHBondContact O-N 2.94Å | ||
| 105 | K | 81.9 | Confident | 86.1 | Confident | 56 Ų | 56 | 47.5 Ų | 47.5 | 24% | 0.243 | 24% | 0.241 | C | C | . | . | trans | -78.1 | 117.2 | 173.9 | -62.8 | -161.6 | 179.5 | -157.3 | 0 | 109.7 | H101 Q107 T178 N179 | H101-K105 WeakPolarHBondContact O-CG 3.42Å; K105-Q107 PolarHBondContact O-N 3.06Å; K105-T178 PolarHBondContact NZ-O 3.32Å; K105-N179 PolarHBondContact NZ-OD1 2.84Å | ||
| 106 | I | 88.4 | Confident | 85.8 | Confident | 15 Ų | 15 | 49 Ų | 49 | 8% | 0.077 | 25% | 0.249 | C | C | . | . | trans | -67.4 | 123.9 | 168.7 | -50.8 | 170.8 | 0 | 0 | 0 | 107.3 | V32 V98 N104 C108 L175 Y207 | V32-I106 HydrophobicContact CB-CD1 4.41Å; V32-I106 HydrophobicContact CG2-CD1 3.85Å; V98-I106 HydrophobicContact CG1-CD1 3.87Å; V98-I106 HydrophobicContact CG1-CG1 4.45Å; V98-I106 HydrophobicContact CG2-CD1 4.09Å; N104-I106 PolarHBondContact O-N 2.94Å; I106-C108 WeakPolarHBondContact CG2-O 3.36Å; I106-L175 HydrophobicContact CB-CD1 4.24Å; I106-L175 HydrophobicContact CG2-CD1 3.74Å; I106-Y207 CarbonylContact C-O 3.57Å; I106-Y207 WeakPolarHBondContact CA-O 3.48Å; I106-Y207 WeakPolarHBondContact CG2-O 3.42Å | ||
| 107 | Q | 89.8 | Confident | 85.4 | Confident | 76 Ų | 76 | 50.5 Ų | 50.5 | 36% | 0.355 | 25% | 0.251 | S | S | . | . | trans | -110.4 | -22.5 | -178.7 | -68.5 | -172.1 | 58.3 | 0 | 0 | 112.8 | K105 L175 Y207 T208 | K105-Q107 PolarHBondContact O-N 3.06Å; Q107-L175 PolarHBondContact O-N 3.1Å; Q107-Y207 PolarHBondContact N-O 3.49Å; Q107-T208 VanDerWaalsContact CD-O 3.29Å; Q107-T208 WeakPolarHBondContact CG-O 3.48Å; Q107-T208 PolarHBondContact NE2-O 3.39Å | ||
| 108 | C | 92.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 143.5 | 176.7 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | I106 M172 Y207 E209 C211 L214 | I106-C108 WeakPolarHBondContact CG2-O 3.36Å; C108-M172 WeakPolarHBondContact SG-CE 3.02Å; C108-Y207 HydrophobicContact CB-CD2 4.44Å; C108-Y207 PolarHBondContact N-O 3.2Å; C108-Y207 VanDerWaalsContact N-O 3.15Å; C108-Y207 PolarHBondContact O-N 3.19Å; C108-E209 WeakPolarHBondContact CB-O 3.43Å; C108-E209 PolarHBondContact N-O 2.95Å; C108-C211 HydrophobicContact CB-CB 4.02Å; C108-C211 WeakPolarHBondContact CB-SG 3.47Å; C108-C211 WeakPolarHBondContact SG-CA 3.43Å; C108-C211 WeakPolarHBondContact SG-CB 3.31Å; C108-C211 CovalentContact SG-SG 2.03Å; C108-C211 PolarHBondContact SG-SG 3.19Å; C108-L214 HydrophobicContact CB-CD1 4.05Å |
| 109 | L | 94.8 | Very high | 83.8 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121.2 | 171.8 | -172.5 | 75.7 | 0 | 0 | 0 | 109.4 | V32 F111 L128 M172 V173 L175 L184 I204 | V32-L109 HydrophobicContact CG1-CD1 3.48Å; V32-L109 VanDerWaalsContact CG1-CD1 3.48Å; L109-F111 HydrophobicContact CD2-CD1 4.34Å; L109-L128 HydrophobicContact CD2-CD1 4.08Å; L109-L128 HydrophobicContact CD2-CD2 3.63Å; L109-M172 CarbonylContact O-C 3.58Å; L109-M172 WeakPolarHBondContact O-CA 3.37Å; L109-V173 PolarHBondContact N-O 2.87Å; L109-V173 PolarHBondContact O-N 2.87Å; L109-L175 HydrophobicContact CB-CD1 4.29Å; L109-L175 HydrophobicContact CB-CG 4.34Å; L109-L184 HydrophobicContact CD1-CD1 4.26Å; L109-L184 HydrophobicContact CD2-CD1 4.01Å; L109-I204 HydrophobicContact CD1-CG2 3.87Å; L109-I204 HydrophobicContact CG-CG2 4.49Å |
| 110 | G | 94.4 | Very high | 82.9 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 142.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | I171 I204 T205 | G110-I171 WeakPolarHBondContact CA-O 3.46Å; G110-I204 CarbonylContact O-C 3.47Å; G110-I204 WeakPolarHBondContact O-CA 3.2Å; G110-T205 PolarHBondContact N-O 2.87Å; G110-T205 PolarHBondContact O-N 2.89Å |
| 111 | F | 95.4 | Very high | 82.4 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 161.9 | 164.3 | 63.9 | -85 | 0 | 0 | 0 | 110 | L109 Y113 L126 L128 F157 I171 V173 V201 I204 | L109-F111 HydrophobicContact CD2-CD1 4.34Å; F111-Y113 HydrophobicContact CE2-CD1 4.07Å; F111-Y113 HydrophobicContact CE2-CG 4.5Å; F111-L126 HydrophobicContact CE2-CD2 3.98Å; F111-L128 HydrophobicContact CE1-CD2 4.27Å; F111-F157 AromaticContact CZ-CD1 3.86Å; F111-F157 HydrophobicContact CZ-CD1 3.86Å; F111-F157 AromaticContact CZ-CE1 3.97Å; F111-F157 HydrophobicContact CZ-CE1 3.97Å; F111-I171 HydrophobicContact CD1-CB 4.42Å; F111-I171 HydrophobicContact CE1-CB 3.96Å; F111-I171 HydrophobicContact CE1-CG2 3.84Å; F111-I171 HydrophobicContact CE2-CB 4.13Å; F111-I171 HydrophobicContact CE2-CG1 4.25Å; F111-I171 HydrophobicContact CZ-CB 3.81Å; F111-I171 HydrophobicContact CZ-CG1 4.2Å; F111-I171 HydrophobicContact CZ-CG2 3.85Å; F111-I171 PolarHBondContact N-O 3.29Å; F111-I171 PolarHBondContact O-N 2.6Å; F111-V173 HydrophobicContact CE1-CG2 3.98Å; F111-V201 HydrophobicContact CB-CG1 4.45Å; F111-V201 HydrophobicContact CD2-CG1 4.1Å; F111-I204 HydrophobicContact CB-CB 4.48Å; F111-I204 HydrophobicContact CB-CG1 4.03Å |
| 112 | K | 94.1 | Very high | 82 | Confident | 73 Ų | 73 | 59.6 Ų | 59.6 | 32% | 0.317 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 147.7 | 169 | -57.1 | 176.7 | -170.8 | 164 | 0 | 109.1 | W168 L169 K170 V201 D202 N203 | K112-W168 HydrophobicContact CB-CD2 4.49Å; K112-W168 HydrophobicContact CB-CE3 3.67Å; K112-W168 HydrophobicContact CB-CZ3 4.24Å; K112-L169 WeakPolarHBondContact CA-O 3.31Å; K112-K170 HydrophobicContact CG-CB 4.45Å; K112-K170 HydrophobicContact CG-CG 4.49Å; K112-V201 WeakPolarHBondContact O-CA 3.16Å; K112-D202 PolarHBondContact N-O 2.93Å; K112-D202 PolarHBondContact O-N 2.88Å; K112-N203 HydrophobicContact CD-CB 4.34Å |
| 113 | Y | 94.1 | Very high | 82.4 | Confident | 8 Ų | 8 | 59.1 Ų | 59.1 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 152.7 | 167.3 | 78.5 | -68.6 | 0 | 0 | 0 | 111.8 | F111 V115 L126 F157 L163 L169 I171 C200 | F111-Y113 HydrophobicContact CE2-CD1 4.07Å; F111-Y113 HydrophobicContact CE2-CG 4.5Å; Y113-V115 HydrophobicContact CD2-CG2 4.15Å; Y113-V115 HydrophobicContact CE2-CG2 4.2Å; Y113-L126 HydrophobicContact CD1-CD2 4.33Å; Y113-L126 HydrophobicContact CD2-CD2 3.64Å; Y113-L126 HydrophobicContact CE2-CD2 4.3Å; Y113-L126 HydrophobicContact CG-CD2 3.64Å; Y113-F157 HydrophobicContact CE1-CZ 4.29Å; Y113-L163 HydrophobicContact CE2-CD2 3.58Å; Y113-L169 HydrophobicContact CD1-CB 3.97Å; Y113-L169 WeakPolarHBondContact CD1-O 3.5Å; Y113-L169 HydrophobicContact CE1-CB 3.58Å; Y113-L169 HydrophobicContact CE1-CD1 4.11Å; Y113-L169 HydrophobicContact CE1-CG 4.5Å; Y113-L169 HydrophobicContact CE2-CD1 4.5Å; Y113-L169 PolarHBondContact N-O 2.95Å; Y113-L169 PolarHBondContact O-N 2.86Å; Y113-I171 HydrophobicContact CD1-CG1 3.87Å; Y113-I171 HydrophobicContact CE1-CD1 3.94Å; Y113-I171 HydrophobicContact CE1-CG1 3.52Å; Y113-C200 CarbonylContact C-O 3.3Å; Y113-C200 WeakPolarHBondContact CA-O 3.47Å; Y113-C200 WeakPolarHBondContact CB-O 3.36Å |
| 114 | I | 91.3 | Very high | 83.3 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 150.7 | 173.9 | -170.4 | 166.4 | 0 | 0 | 0 | 108.5 | F63 L116 S165 W168 C200 | F63-I114 HydrophobicContact CE1-CD1 4.2Å; F63-I114 HydrophobicContact CE2-CD1 3.81Å; F63-I114 HydrophobicContact CZ-CD1 3.41Å; F63-I114 VanDerWaalsContact CZ-CD1 3.41Å; I114-L116 HydrophobicContact CD1-CD2 3.86Å; I114-L116 HydrophobicContact CG1-CD2 3.98Å; I114-L116 HydrophobicContact CG2-CD2 4.36Å; I114-L116 HydrophobicContact CG2-CG 4.42Å; I114-S165 WeakPolarHBondContact CG1-O 3.34Å; I114-W168 HydrophobicContact CB-CD2 3.86Å; I114-W168 HydrophobicContact CB-CE3 3.91Å; I114-W168 HydrophobicContact CB-CG 4.31Å; I114-W168 HydrophobicContact CB-CZ2 4.5Å; I114-W168 HydrophobicContact CB-CZ3 4.28Å; I114-W168 HydrophobicContact CD1-CG 4.5Å; I114-W168 HydrophobicContact CG2-CD2 3.87Å; I114-W168 HydrophobicContact CG2-CE3 3.87Å; I114-W168 HydrophobicContact CG2-CH2 3.65Å; I114-W168 HydrophobicContact CG2-CZ2 3.59Å; I114-W168 HydrophobicContact CG2-CZ3 3.77Å; I114-C200 HydrophobicContact CG2-CB 3.77Å; I114-C200 PolarHBondContact N-O 2.78Å; I114-C200 PolarHBondContact O-N 3.45Å |
| 115 | V | 89.8 | Confident | 84.5 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 105.2 | 179.2 | 179.4 | 0 | 0 | 0 | 0 | 108 | Y113 F117 L121 I124 L163 S165 R198 I199 | Y113-V115 HydrophobicContact CD2-CG2 4.15Å; Y113-V115 HydrophobicContact CE2-CG2 4.2Å; V115-F117 HydrophobicContact CG1-CD1 4.02Å; V115-F117 HydrophobicContact CG1-CE1 4.41Å; V115-F117 WeakPolarHBondContact O-CD1 3.39Å; V115-F117 WeakPolarHBondContact O-CE1 3.49Å; V115-L121 HydrophobicContact CG1-CD1 4.01Å; V115-I124 HydrophobicContact CG1-CB 4.18Å; V115-I124 HydrophobicContact CG1-CD1 3.72Å; V115-I124 HydrophobicContact CG1-CG1 4.47Å; V115-I124 HydrophobicContact CG1-CG2 3.76Å; V115-I124 HydrophobicContact CG2-CG2 4.01Å; V115-L163 HydrophobicContact CB-CD1 4.44Å; V115-L163 HydrophobicContact CB-CD2 4.41Å; V115-L163 HydrophobicContact CG2-CD1 4.01Å; V115-L163 HydrophobicContact CG2-CD2 3.89Å; V115-L163 HydrophobicContact CG2-CG 4.47Å; V115-S165 WeakPolarHBondContact O-CA 3.44Å; V115-R198 CarbonylContact C-O 3.59Å; V115-R198 VanDerWaalsContact CA-O 3.32Å; V115-R198 WeakPolarHBondContact CA-O 3.47Å; V115-I199 HydrophobicContact CG2-CG2 4.28Å |
| 116 | L | 87.1 | Confident | 85.1 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 126.5 | -174 | -56.7 | 172.9 | 0 | 0 | 0 | 109.5 | L60 F63 I114 A197 R198 | L60-L116 HydrophobicContact CD2-CD1 4.09Å; F63-L116 HydrophobicContact CE2-CD2 4.34Å; I114-L116 HydrophobicContact CD1-CD2 3.86Å; I114-L116 HydrophobicContact CG1-CD2 3.98Å; I114-L116 HydrophobicContact CG2-CD2 4.36Å; I114-L116 HydrophobicContact CG2-CG 4.42Å; L116-A197 WeakPolarHBondContact O-CA 3.39Å; L116-R198 PolarHBondContact N-O 2.9Å; L116-R198 PolarHBondContact O-N 2.87Å |
| 117 | F | 83.2 | Confident | 85.4 | Confident | 49 Ų | 49 | 52.2 Ų | 52.2 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | trans | -157.7 | 143.4 | -179.6 | 58.2 | -90.7 | 0 | 0 | 0 | 115.4 | V115 K119 L121 A197 | V115-F117 HydrophobicContact CG1-CD1 4.02Å; V115-F117 HydrophobicContact CG1-CE1 4.41Å; V115-F117 WeakPolarHBondContact O-CD1 3.39Å; V115-F117 WeakPolarHBondContact O-CE1 3.49Å; F117-K119 WeakPolarHBondContact CD2-O 3.38Å; F117-L121 HydrophobicContact CB-CD1 3.54Å; F117-L121 HydrophobicContact CB-CG 4.04Å; F117-L121 HydrophobicContact CD1-CD1 3.5Å; F117-L121 VanDerWaalsContact CD1-CD1 3.5Å; F117-L121 HydrophobicContact CD1-CG 4.45Å; F117-L121 HydrophobicContact CD2-CD1 4.28Å; F117-L121 HydrophobicContact CD2-CG 4.43Å; F117-L121 HydrophobicContact CE1-CD1 4.18Å; F117-L121 HydrophobicContact CG-CD1 3.52Å; F117-L121 HydrophobicContact CG-CG 4.08Å; F117-A197 HydrophobicContact CB-CB 4.3Å | ||
| 118 | N | 75.6 | Confident | 85.7 | Confident | 136 Ų | 136 | 48.6 Ų | 48.6 | 73% | 0.727 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -84.3 | -14.3 | 176.4 | -67.1 | -29.9 | 0 | 0 | 0 | 114.5 | ||
| 119 | K | 69.3 | Low | 85.8 | Confident | 155 Ų | 155 | 49.7 Ų | 49.7 | 67% | 0.674 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -142.7 | 145 | -172.5 | -67 | -179.6 | -178.2 | 173.1 | 0 | 110.5 | F117 L121 Y194 | F117-K119 WeakPolarHBondContact CD2-O 3.38Å; K119-L121 PolarHBondContact O-N 2.88Å; K119-Y194 HydrophobicContact CB-CE1 4.27Å |
| 120 | R | 68.4 | Low | 85.8 | Confident | 235 Ų | 235 | 50 Ų | 50 | 89% | 0.887 | 23% | 0.228 | S | C | * | . | trans | -48 | 110.9 | 175.3 | -70.3 | -173.8 | -179.6 | -178.8 | 0.6 | 110.7 | Y194 | R120-Y194 PolarHBondContact O-OH 2.82Š| ||
| 121 | L | 67.8 | Low | 85.7 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 18% | 0.178 | 24% | 0.236 | C | C | . | . | trans | -82.4 | 134.5 | 177 | -77.4 | 162.3 | 0 | 0 | 0 | 109.9 | V115 F117 K119 I124 P191 Y194 A197 | V115-L121 HydrophobicContact CG1-CD1 4.01Å; F117-L121 HydrophobicContact CB-CD1 3.54Å; F117-L121 HydrophobicContact CB-CG 4.04Å; F117-L121 HydrophobicContact CD1-CD1 3.5Å; F117-L121 VanDerWaalsContact CD1-CD1 3.5Å; F117-L121 HydrophobicContact CD1-CG 4.45Å; F117-L121 HydrophobicContact CD2-CD1 4.28Å; F117-L121 HydrophobicContact CD2-CG 4.43Å; F117-L121 HydrophobicContact CE1-CD1 4.18Å; F117-L121 HydrophobicContact CG-CD1 3.52Å; F117-L121 HydrophobicContact CG-CG 4.08Å; K119-L121 PolarHBondContact O-N 2.88Å; L121-I124 HydrophobicContact CD1-CB 4.36Å; L121-I124 HydrophobicContact CD1-CD1 3.41Å; L121-I124 VanDerWaalsContact CD1-CD1 3.41Å; L121-I124 HydrophobicContact CD1-CG1 3.78Å; L121-I124 HydrophobicContact CD2-CD1 4.04Å; L121-I124 HydrophobicContact CD2-CG1 4.06Å; L121-I124 HydrophobicContact CG-CD1 4.35Å; L121-I124 HydrophobicContact CG-CG1 4.42Å; L121-P191 HydrophobicContact CD2-CG 4.29Å; L121-Y194 HydrophobicContact CD2-CD1 3.33Å; L121-Y194 HydrophobicContact CD2-CD2 3.92Å; L121-Y194 HydrophobicContact CD2-CE1 3.92Å; L121-Y194 HydrophobicContact CD2-CE2 4.47Å; L121-Y194 HydrophobicContact CD2-CG 3.32Å; L121-Y194 HydrophobicContact CG-CD1 4.19Å; L121-Y194 HydrophobicContact CG-CE1 4.5Å; L121-A197 HydrophobicContact CD1-CB 4.11Å; L121-A197 HydrophobicContact CD2-CB 3.94Å | ||
| 122 | P | 63.8 | Low | 85.5 | Confident | 66 Ų | 66 | 52.5 Ų | 52.5 | 43% | 0.429 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -74.8 | -45 | 175.5 | 27.5 | -32.4 | 0 | 0 | 0 | 111.3 | Y194 | P122-Y194 VanDerWaalsContact CD-CZ 3.43Å; P122-Y194 VanDerWaalsContact CD-OH 3.3Å; P122-Y194 WeakPolarHBondContact CD-OH 3.3Å; P122-Y194 HydrophobicContact CG-CE2 4.01Å |
| 123 | H | 77.5 | Confident | 85.1 | Confident | 92 Ų | 92 | 51.7 Ų | 51.7 | 43% | 0.426 | 24% | 0.243 | S | C | . | . | trans | -155 | 81.5 | -172 | -60 | 104.9 | 0 | 0 | 0 | 113.7 | P191 | H123-P191 WeakPolarHBondContact O-CD 3.49Å; H123-P191 WeakPolarHBondContact O-CG 3.33Å | ||
| 124 | I | 85.2 | Confident | 84.4 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | trans | -85.8 | 142.4 | 160.5 | -83.9 | -165.9 | 0 | 0 | 0 | 110 | V115 L121 L163 I190 P191 A197 I199 | V115-I124 HydrophobicContact CG1-CB 4.18Å; V115-I124 HydrophobicContact CG1-CD1 3.72Å; V115-I124 HydrophobicContact CG1-CG1 4.47Å; V115-I124 HydrophobicContact CG1-CG2 3.76Å; V115-I124 HydrophobicContact CG2-CG2 4.01Å; L121-I124 HydrophobicContact CD1-CB 4.36Å; L121-I124 HydrophobicContact CD1-CD1 3.41Å; L121-I124 VanDerWaalsContact CD1-CD1 3.41Å; L121-I124 HydrophobicContact CD1-CG1 3.78Å; L121-I124 HydrophobicContact CD2-CD1 4.04Å; L121-I124 HydrophobicContact CD2-CG1 4.06Å; L121-I124 HydrophobicContact CG-CD1 4.35Å; L121-I124 HydrophobicContact CG-CG1 4.42Å; I124-L163 HydrophobicContact CG2-CD1 4.38Å; I124-I190 HydrophobicContact CD1-CG1 4.1Å; I124-P191 HydrophobicContact CG1-CG 4.39Å; I124-A197 HydrophobicContact CD1-CB 3.84Å; I124-I199 HydrophobicContact CD1-CG1 4.35Å; I124-I199 HydrophobicContact CG2-CD1 3.56Å; I124-I199 HydrophobicContact CG2-CG1 3.62Å | ||
| 125 | R | 89.8 | Confident | 83.9 | Confident | 99 Ų | 99 | 57.4 Ų | 57.4 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 134.7 | -179.3 | -64.1 | 178.4 | -179.4 | 159.5 | 5.6 | 111.5 | S159 G188 T189 I199 | R125-S159 WeakPolarHBondContact CA-OG 3.5Å; R125-G188 CarbonylContact O-C 3.46Å; R125-G188 WeakPolarHBondContact O-CA 3.43Å; R125-T189 PolarHBondContact N-O 2.04Å; R125-T189 PolarHBondContact O-N 2.8Å; R125-I199 WeakPolarHBondContact O-CD1 3.37Å |
| 126 | L | 93.9 | Very high | 83.6 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 117.3 | 165.2 | 180 | 63.5 | 0 | 0 | 0 | 108.1 | W55 F111 Y113 K158 S159 L186 E187 I199 V201 | W55-L126 HydrophobicContact CH2-CD1 4.08Å; W55-L126 HydrophobicContact CZ2-CD1 4.32Å; F111-L126 HydrophobicContact CE2-CD2 3.98Å; Y113-L126 HydrophobicContact CD1-CD2 4.33Å; Y113-L126 HydrophobicContact CD2-CD2 3.64Å; Y113-L126 HydrophobicContact CE2-CD2 4.3Å; Y113-L126 HydrophobicContact CG-CD2 3.64Å; L126-K158 CarbonylContact O-C 3.55Å; L126-K158 WeakPolarHBondContact O-CA 3.36Å; L126-S159 PolarHBondContact N-OG 2.97Å; L126-S159 PolarHBondContact O-N 2.03Å; L126-L186 HydrophobicContact CD1-CD2 4.28Å; L126-E187 WeakPolarHBondContact CA-O 3.39Å; L126-I199 HydrophobicContact CB-CG2 4.29Å; L126-I199 HydrophobicContact CD1-CG2 4.3Å; L126-I199 HydrophobicContact CD2-CG2 4.22Å; L126-V201 HydrophobicContact CD1-CG2 4.31Å; L126-V201 HydrophobicContact CD2-CG2 3.83Å |
| 127 | N | 95.2 | Very high | 83.5 | Confident | 28 Ų | 28 | 62.8 Ų | 62.8 | 15% | 0.15 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 139.4 | 175.1 | -54.5 | -41.2 | 0 | 0 | 0 | 109.4 | F157 K158 L186 E187 | N127-F157 CarbonylContact C-O 3.43Å; N127-F157 WeakPolarHBondContact CA-O 3.25Å; N127-K158 WeakPolarHBondContact OD1-CG 3.38Å; N127-L186 WeakPolarHBondContact O-CA 3.35Å; N127-E187 HydrophobicContact CB-CB 4.32Å; N127-E187 PolarHBondContact N-O 2.83Å; N127-E187 PolarHBondContact ND2-OE2 2.8Å; N127-E187 PolarHBondContact O-N 3.04Å |
| 128 | L | 96.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129.4 | 162 | -179.3 | 72.8 | 0 | 0 | 0 | 108.4 | L109 F111 L156 F157 V173 L184 I185 L186 | L109-L128 HydrophobicContact CD2-CD1 4.08Å; L109-L128 HydrophobicContact CD2-CD2 3.63Å; F111-L128 HydrophobicContact CE1-CD2 4.27Å; L128-L156 HydrophobicContact CD2-CB 4.14Å; L128-L156 HydrophobicContact CD2-CD1 4.04Å; L128-L156 HydrophobicContact CG-CB 4.26Å; L128-L156 HydrophobicContact CG-CD1 4.18Å; L128-L156 PolarHBondContact O-N 2.83Å; L128-F157 HydrophobicContact CB-CB 4.03Å; L128-F157 HydrophobicContact CB-CD1 4.48Å; L128-F157 PolarHBondContact N-O 3.43Å; L128-F157 PolarHBondContact O-N 3.33Å; L128-F157 VanDerWaalsContact O-N 3.16Å; L128-V173 HydrophobicContact CD2-CB 4.16Å; L128-V173 HydrophobicContact CD2-CG1 4.14Å; L128-V173 HydrophobicContact CD2-CG2 3.98Å; L128-L184 HydrophobicContact CD1-CB 4.4Å; L128-I185 CarbonylContact C-O 3.56Å; L128-I185 WeakPolarHBondContact CA-O 3.13Å; L128-L186 HydrophobicContact CB-CD2 4.35Å; L128-L186 HydrophobicContact CD1-CD2 3.72Å; L128-L186 HydrophobicContact CD1-CG 4.04Å |
| 129 | M | 95 | Very high | 83.9 | Confident | 22 Ų | 22 | 61.2 Ų | 61.2 | 11% | 0.108 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 156 | 178.1 | -62.2 | 176.9 | -84.3 | 0 | 0 | 111.7 | N153 K154 L184 I185 E187 | M129-N153 HydrophobicContact CB-CB 4.18Å; M129-N153 HydrophobicContact SD-CB 3.85Å; M129-K154 CarbonylContact C-O 3.57Å; M129-K154 VanDerWaalsContact CA-O 3.31Å; M129-K154 WeakPolarHBondContact CA-O 3.3Å; M129-L184 CarbonylContact O-C 3.58Å; M129-L184 WeakPolarHBondContact O-CA 3.34Å; M129-I185 HydrophobicContact CB-CB 4.32Å; M129-I185 HydrophobicContact CE-CB 4.43Å; M129-I185 HydrophobicContact CE-CG2 4.21Å; M129-I185 PolarHBondContact N-O 3.15Å; M129-I185 PolarHBondContact O-N 2.9Å; M129-E187 HydrophobicContact CE-CB 3.54Å; M129-E187 HydrophobicContact CE-CG 4.18Å; M129-E187 WeakPolarHBondContact CE-OE2 3.36Å |
| 130 | K | 93.6 | Very high | 84.5 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 4% | 0.039 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.1 | 169.7 | -172.4 | 167.6 | 76.1 | 168.5 | 0 | 110.5 | K154 L156 P176 T178 Y182 L184 | K130-K154 PolarHBondContact N-O 3.14Å; K130-K154 PolarHBondContact O-N 2.97Å; K130-L156 HydrophobicContact CB-CD1 3.89Å; K130-L156 HydrophobicContact CB-CD2 4.36Å; K130-L156 HydrophobicContact CB-CG 4.14Å; K130-P176 PolarHBondContact NZ-O 3.16Å; K130-P176 VanDerWaalsContact NZ-O 3.11Å; K130-T178 PolarHBondContact NZ-OG1 3.47Å; K130-Y182 HydrophobicContact CD-CD1 4.21Å; K130-Y182 HydrophobicContact CD-CD2 3.6Å; K130-Y182 HydrophobicContact CD-CE2 4.03Å; K130-Y182 HydrophobicContact CD-CG 3.7Å; K130-Y182 HydrophobicContact CG-CD2 3.73Å; K130-Y182 HydrophobicContact CG-CG 3.93Å; K130-L184 HydrophobicContact CB-CD2 4.35Å; K130-L184 HydrophobicContact CG-CD2 4.46Å |
| 131 | H | 92.5 | Very high | 85 | Confident | 39 Ų | 39 | 56.9 Ų | 56.9 | 18% | 0.181 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 105.3 | 171 | -177.9 | 86.7 | 0 | 0 | 0 | 109.1 | W94 N153 Y182 K183 I185 | W94-H131 HydrophobicContact CZ3-CB 3.95Å; W94-H131 AromaticContact CZ3-CG 3.94Å; H131-N153 WeakPolarHBondContact CB-OD1 3.39Å; H131-N153 PolarHBondContact ND1-OD1 3.28Å; H131-Y182 CarbonylContact O-C 3.52Å; H131-Y182 WeakPolarHBondContact O-CA 3.44Å; H131-Y182 WeakPolarHBondContact O-CB 3.39Å; H131-K183 PolarHBondContact N-O 2.86Å; H131-K183 PolarHBondContact O-N 2.89Å; H131-I185 HydrophobicContact CB-CD1 4.02Å |
| 132 | S | 90.9 | Very high | 85.2 | Confident | 17 Ų | 17 | 57.9 Ų | 57.9 | 12% | 0.119 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 137.4 | 179.8 | -78.8 | 0 | 0 | 0 | 0 | 111.4 | G134 S135 | S132-G134 PolarHBondContact O-N 2.84Å; S132-S135 WeakPolarHBondContact O-CB 3.09Å; S132-S135 PolarHBondContact O-N 3.02Å |
| 133 | T | 85.7 | Confident | 85.4 | Confident | 57 Ų | 57 | 64 Ų | 64 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 133 | 174.3 | 58.8 | 0 | 0 | 0 | 0 | 109.9 | S135 D181 | T133-S135 VanDerWaalsContact C-N 3.33Å; T133-D181 HydrophobicContact CG2-CB 3.79Å; T133-D181 PolarHBondContact N-O 3.34Å; T133-D181 PolarHBondContact OG1-N 2.83Å; T133-D181 PolarHBondContact OG1-O 2.95Å; T133-D181 VanDerWaalsContact OG1-O 3.13Å |
| 134 | G | 81.2 | Confident | 85.3 | Confident | 76 Ų | 76 | 64.1 Ų | 64.1 | 78% | 0.784 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | -0.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S132 C136 | S132-G134 PolarHBondContact O-N 2.84Å; G134-C136 PolarHBondContact O-N 3.12Å; G134-C136 VanDerWaalsContact O-N 3.08Å |
| 135 | S | 80.4 | Confident | 84.9 | Confident | 52 Ų | 52 | 66 Ų | 66 | 36% | 0.364 | 40% | 0.395 | S | S | . | . | trans | -78 | 22.7 | 173 | -159.2 | 0 | 0 | 0 | 0 | 113.5 | S132 T133 D152 | S132-S135 WeakPolarHBondContact O-CB 3.09Å; S132-S135 PolarHBondContact O-N 3.02Å; T133-S135 VanDerWaalsContact C-N 3.33Å; S135-D152 PolarHBondContact O-N 3.13Å; S135-D152 PolarHBondContact OG-O 3.48Å | ||
| 136 | C | 84 | Confident | 84.4 | Confident | 43 Ų | 43 | 66.1 Ų | 66.1 | 29% | 0.291 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 123.4 | -179.2 | -56.2 | 0 | 0 | 0 | 0 | 109.6 | G134 L149 T150 C151 | G134-C136 PolarHBondContact O-N 3.12Å; G134-C136 VanDerWaalsContact O-N 3.08Å; C136-L149 HydrophobicContact CB-CD2 4.11Å; C136-T150 CarbonylContact C-O 3.59Å; C136-T150 VanDerWaalsContact CA-O 3.29Å; C136-T150 WeakPolarHBondContact CA-O 3.05Å; C136-C151 HydrophobicContact CB-CB 4.01Å; C136-C151 WeakPolarHBondContact CB-SG 3.42Å; C136-C151 WeakPolarHBondContact SG-CB 3.42Å; C136-C151 CovalentContact SG-SG 2.04Å; C136-C151 PolarHBondContact SG-SG 2.83Å |
| 137 | I | 84.1 | Confident | 83.9 | Confident | 103 Ų | 103 | 70.7 Ų | 70.7 | 53% | 0.528 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 142.6 | 173.7 | 58 | 170.3 | 0 | 0 | 0 | 110.4 | V139 L149 T150 | I137-V139 HydrophobicContact CD1-CG2 4.13Å; I137-V139 HydrophobicContact CG1-CG2 4.1Å; I137-L149 WeakPolarHBondContact O-CA 3.4Å; I137-T150 PolarHBondContact N-O 3.19Å; I137-T150 PolarHBondContact O-N 3.4Å |
| 138 | T | 82.6 | Confident | 83.2 | Confident | 92 Ų | 92 | 72 Ų | 72 | 56% | 0.564 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 114.1 | 174 | -53.4 | 0 | 0 | 0 | 0 | 109.4 | T147 S148 | T138-T147 HydrophobicContact CG2-CG2 3.72Å; T138-S148 CarbonylContact C-O 3.54Å; T138-S148 WeakPolarHBondContact CA-O 3.49Å |
| 139 | V | 84 | Confident | 82.5 | Confident | 60 Ų | 60 | 77.5 Ų | 77.5 | 36% | 0.364 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.7 | 178.7 | -175 | 0 | 0 | 0 | 0 | 109 | I137 S148 | I137-V139 HydrophobicContact CD1-CG2 4.13Å; I137-V139 HydrophobicContact CG1-CG2 4.1Å; V139-S148 PolarHBondContact N-O 2.89Å; V139-S148 PolarHBondContact O-N 2.91Å |
| 140 | Q | 82.9 | Confident | 81.9 | Confident | 145 Ų | 145 | 79.3 Ų | 79.3 | 68% | 0.678 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 127 | 172.3 | -79.7 | -178.7 | -20 | 0 | 0 | 110.8 | G142 D146 T147 | Q140-G142 PolarHBondContact O-N 3.36Å; Q140-D146 CarbonylContact C-O 3.46Å; Q140-D146 WeakPolarHBondContact CA-O 3.32Å; Q140-T147 HydrophobicContact CG-CG2 4.03Å |
| 141 | K | 77.8 | Confident | 81.5 | Confident | 154 Ų | 154 | 81.3 Ų | 81.3 | 67% | 0.67 | 50% | 0.497 | S | S | * | . | trans | -93.5 | 78.2 | -175.7 | -162.2 | 177.7 | -178 | -176.5 | 0 | 110.6 | D146 | K141-D146 HydrophobicContact CB-CB 4.44Å; K141-D146 PolarHBondContact N-O 2.84Å | ||
| 142 | G | 72.3 | Confident | 81.2 | Confident | 56 Ų | 56 | 84.3 Ų | 84.3 | 58% | 0.577 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | 72.7 | -167.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q140 S144 | Q140-G142 PolarHBondContact O-N 3.36Å; G142-S144 PolarHBondContact O-N 3.4Å; G142-S144 VanDerWaalsContact O-N 3.11Å |
| 143 | L | 68.2 | Low | 81.2 | Confident | 194 Ų | 194 | 86 Ų | 86 | 100% | 1.016 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -67.1 | -9.7 | -174.6 | -72.3 | 98.1 | 0 | 0 | 0 | 114.6 | G145 | L143-G145 PolarHBondContact O-N 3.35Š|
| 144 | S | 74.7 | Confident | 81.5 | Confident | 95 Ų | 95 | 89.1 Ų | 89.1 | 66% | 0.664 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -74.6 | -6.4 | -177.7 | -157 | 0 | 0 | 0 | 0 | 113.9 | G142 D146 | G142-S144 PolarHBondContact O-N 3.4Å; G142-S144 VanDerWaalsContact O-N 3.11Å; S144-D146 PolarHBondContact O-N 3.14Å; S144-D146 VanDerWaalsContact O-N 3.13Å |
| 145 | G | 78.3 | Confident | 82.1 | Confident | 45 Ų | 45 | 88.1 Ų | 88.1 | 46% | 0.464 | 52% | 0.521 | S | S | . | . | trans | 75.3 | -9.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | L143 | L143-G145 PolarHBondContact O-N 3.35Š| ||
| 146 | D | 78.2 | Confident | 82.8 | Confident | 101 Ų | 101 | 87.4 Ų | 87.4 | 54% | 0.54 | 51% | 0.513 | S | S | . | . | trans | -53.6 | 137.4 | 175.5 | -78.7 | -21.9 | 0 | 0 | 0 | 111.6 | Q140 K141 S144 | Q140-D146 CarbonylContact C-O 3.46Å; Q140-D146 WeakPolarHBondContact CA-O 3.32Å; K141-D146 HydrophobicContact CB-CB 4.44Å; K141-D146 PolarHBondContact N-O 2.84Å; S144-D146 PolarHBondContact O-N 3.14Å; S144-D146 VanDerWaalsContact O-N 3.13Å | ||
| 147 | T | 83.1 | Confident | 83.3 | Confident | 97 Ų | 97 | 87.5 Ų | 87.5 | 60% | 0.595 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 139 | 177.1 | 50.3 | 0 | 0 | 0 | 0 | 111.2 | T138 Q140 | T138-T147 HydrophobicContact CG2-CG2 3.72Å; Q140-T147 HydrophobicContact CG-CG2 4.03Å |
| 148 | S | 81.4 | Confident | 83.7 | Confident | 54 Ų | 54 | 88.4 Ų | 88.4 | 38% | 0.378 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 136.5 | 178 | -168.5 | 0 | 0 | 0 | 0 | 109.3 | T138 V139 | T138-S148 CarbonylContact C-O 3.54Å; T138-S148 WeakPolarHBondContact CA-O 3.49Å; V139-S148 PolarHBondContact N-O 2.89Å; V139-S148 PolarHBondContact O-N 2.91Å |
| 149 | L | 81.4 | Confident | 84.1 | Confident | 117 Ų | 117 | 84.4 Ų | 84.4 | 61% | 0.613 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 115.8 | 175 | -77.7 | 159.8 | 0 | 0 | 0 | 109.4 | C136 I137 | C136-L149 HydrophobicContact CB-CD2 4.11Å; I137-L149 WeakPolarHBondContact O-CA 3.4Å |
| 150 | T | 83.1 | Confident | 83.8 | Confident | 60 Ų | 60 | 83.7 Ų | 83.7 | 37% | 0.368 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119.4 | 173.2 | -55.3 | 0 | 0 | 0 | 0 | 108.5 | C136 I137 | C136-T150 CarbonylContact C-O 3.59Å; C136-T150 VanDerWaalsContact CA-O 3.29Å; C136-T150 WeakPolarHBondContact CA-O 3.05Å; I137-T150 PolarHBondContact N-O 3.19Å; I137-T150 PolarHBondContact O-N 3.4Å |
| 151 | C | 85.3 | Confident | 83 | Confident | 50 Ų | 50 | 82.4 Ų | 82.4 | 34% | 0.338 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118.9 | -177.7 | -51.4 | 0 | 0 | 0 | 0 | 110.7 | C136 | C136-C151 HydrophobicContact CB-CB 4.01Å; C136-C151 WeakPolarHBondContact CB-SG 3.42Å; C136-C151 WeakPolarHBondContact SG-CB 3.42Å; C136-C151 CovalentContact SG-SG 2.04Å; C136-C151 PolarHBondContact SG-SG 2.83Å |
| 152 | D | 84.8 | Confident | 82 | Confident | 103 Ų | 103 | 83.9 Ų | 83.9 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | trans | -87.7 | 133.1 | 179.4 | -71 | -31 | 0 | 0 | 0 | 111.7 | S135 | S135-D152 PolarHBondContact O-N 3.13Å; S135-D152 PolarHBondContact OG-O 3.48Å | ||
| 153 | N | 91.5 | Very high | 81.6 | Confident | 52 Ų | 52 | 82.8 Ų | 82.8 | 28% | 0.278 | 48% | 0.477 | S | S | . | . | trans | -96.3 | 124.6 | 174.5 | -67.9 | -24.8 | 0 | 0 | 0 | 109.4 | M129 H131 G155 I185 | M129-N153 HydrophobicContact CB-CB 4.18Å; M129-N153 HydrophobicContact SD-CB 3.85Å; H131-N153 WeakPolarHBondContact CB-OD1 3.39Å; H131-N153 PolarHBondContact ND1-OD1 3.28Å; N153-G155 PolarHBondContact O-N 2.88Å; N153-I185 WeakPolarHBondContact ND2-CD1 3.36Å | ||
| 154 | K | 92.6 | Very high | 81.3 | Confident | 122 Ų | 122 | 76.1 Ų | 76.1 | 53% | 0.53 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 115.3 | 176.8 | -178.7 | 172.7 | -179.2 | 174.1 | 0 | 110.2 | M129 K130 L156 | M129-K154 CarbonylContact C-O 3.57Å; M129-K154 VanDerWaalsContact CA-O 3.31Å; M129-K154 WeakPolarHBondContact CA-O 3.3Å; K130-K154 PolarHBondContact N-O 3.14Å; K130-K154 PolarHBondContact O-N 2.97Å; K154-L156 PolarHBondContact O-N 3.36Å |
| 155 | G | 93.5 | Very high | 81 | Confident | 56 Ų | 56 | 72.6 Ų | 72.6 | 58% | 0.577 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 133 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N153 | N153-G155 PolarHBondContact O-N 2.88Å |
| 156 | L | 94.2 | Very high | 81 | Confident | 36 Ų | 36 | 76.2 Ų | 76.2 | 19% | 0.188 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | -41 | 177.5 | -62.9 | 178.5 | 0 | 0 | 0 | 112 | L128 K130 K154 V173 L175 L184 | L128-L156 HydrophobicContact CD2-CB 4.14Å; L128-L156 HydrophobicContact CD2-CD1 4.04Å; L128-L156 HydrophobicContact CG-CB 4.26Å; L128-L156 HydrophobicContact CG-CD1 4.18Å; L128-L156 PolarHBondContact O-N 2.83Å; K130-L156 HydrophobicContact CB-CD1 3.89Å; K130-L156 HydrophobicContact CB-CD2 4.36Å; K130-L156 HydrophobicContact CB-CG 4.14Å; K154-L156 PolarHBondContact O-N 3.36Å; L156-V173 HydrophobicContact CB-CG1 3.91Å; L156-L175 HydrophobicContact CD1-CD2 3.47Å; L156-L175 VanDerWaalsContact CD1-CD2 3.47Å; L156-L184 HydrophobicContact CD1-CD2 3.78Å |
| 157 | F | 94.6 | Very high | 81.4 | Confident | 46 Ų | 46 | 77.6 Ų | 77.6 | 20% | 0.202 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 154.5 | 176.8 | 163.4 | -90.1 | 0 | 0 | 0 | 110.4 | F111 Y113 N127 L128 I171 V173 | F111-F157 AromaticContact CZ-CD1 3.86Å; F111-F157 HydrophobicContact CZ-CD1 3.86Å; F111-F157 AromaticContact CZ-CE1 3.97Å; F111-F157 HydrophobicContact CZ-CE1 3.97Å; Y113-F157 HydrophobicContact CE1-CZ 4.29Å; N127-F157 CarbonylContact C-O 3.43Å; N127-F157 WeakPolarHBondContact CA-O 3.25Å; L128-F157 HydrophobicContact CB-CB 4.03Å; L128-F157 HydrophobicContact CB-CD1 4.48Å; L128-F157 PolarHBondContact N-O 3.43Å; L128-F157 PolarHBondContact O-N 3.33Å; L128-F157 VanDerWaalsContact O-N 3.16Å; F157-I171 HydrophobicContact CD2-CG2 3.74Å; F157-I171 HydrophobicContact CE1-CG1 4.48Å; F157-I171 HydrophobicContact CE2-CD1 3.82Å; F157-I171 HydrophobicContact CE2-CG1 4.03Å; F157-I171 HydrophobicContact CE2-CG2 3.75Å; F157-I171 HydrophobicContact CG-CG2 4.17Å; F157-I171 HydrophobicContact CZ-CD1 3.92Å; F157-I171 HydrophobicContact CZ-CG1 3.84Å; F157-I171 HydrophobicContact CZ-CG2 4.19Å; F157-V173 HydrophobicContact CB-CG1 4.44Å; F157-V173 HydrophobicContact CB-CG2 3.85Å; F157-V173 HydrophobicContact CG-CG2 4.38Å |
| 158 | K | 93.7 | Very high | 81.8 | Confident | 122 Ų | 122 | 75.6 Ų | 75.6 | 53% | 0.53 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 129.7 | 174.1 | 174.3 | 167.3 | -178.3 | 177.4 | 0 | 108.8 | L126 N127 | L126-K158 CarbonylContact O-C 3.55Å; L126-K158 WeakPolarHBondContact O-CA 3.36Å; N127-K158 WeakPolarHBondContact OD1-CG 3.38Å |
| 159 | S | 89.6 | Confident | 82.2 | Confident | 7 Ų | 7 | 75.5 Ų | 75.5 | 5% | 0.049 | 41% | 0.411 | C | S | . | . | trans | -63.4 | 141.5 | 177.8 | 66.2 | 0 | 0 | 0 | 0 | 111.7 | R125 L126 | R125-S159 WeakPolarHBondContact CA-OG 3.5Å; L126-S159 PolarHBondContact N-OG 2.97Å; L126-S159 PolarHBondContact O-N 2.03Å | ||
| 160 | G | 78 | Confident | 82.7 | Confident | 46 Ų | 46 | 75.9 Ų | 75.9 | 47% | 0.474 | 41% | 0.407 | S | S | . | . | trans | -77.5 | 172.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q162 | G160-Q162 VanDerWaalsContact C-N 3.26Å; G160-Q162 PolarHBondContact O-N 3.22Å | ||
| 161 | N | 66.2 | Low | 83.2 | Confident | 117 Ų | 117 | 74.6 Ų | 74.6 | 63% | 0.626 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -78.3 | -6.3 | 177.5 | -68.5 | 3.7 | 0 | 0 | 0 | 113.7 | ||
| 162 | Q | 57.8 | Low | 83.6 | Confident | 185 Ų | 185 | 75.3 Ų | 75.3 | 86% | 0.864 | 40% | 0.397 | S | S | * | . | trans | -94.1 | 96 | 177 | -73.4 | -177.9 | -14.5 | 0 | 0 | 109.5 | G160 | G160-Q162 VanDerWaalsContact C-N 3.26Å; G160-Q162 PolarHBondContact O-N 3.22Å | ||
| 163 | L | 62.6 | Low | 84 | Confident | 33 Ų | 33 | 71 Ų | 71 | 17% | 0.173 | 37% | 0.374 | C | S | . | . | trans | -124.3 | 111.8 | 177.6 | -73.9 | 159.3 | 0 | 0 | 0 | 108.7 | Y113 V115 I124 L169 | Y113-L163 HydrophobicContact CE2-CD2 3.58Å; V115-L163 HydrophobicContact CB-CD1 4.44Å; V115-L163 HydrophobicContact CB-CD2 4.41Å; V115-L163 HydrophobicContact CG2-CD1 4.01Å; V115-L163 HydrophobicContact CG2-CD2 3.89Å; V115-L163 HydrophobicContact CG2-CG 4.47Å; I124-L163 HydrophobicContact CG2-CD1 4.38Å; L163-L169 HydrophobicContact CD2-CD1 3.7Å | ||
| 164 | S | 63 | Low | 84.1 | Confident | 54 Ų | 54 | 72.7 Ų | 72.7 | 38% | 0.378 | 38% | 0.383 | S | S | . | . | trans | -68.3 | 140.3 | 160 | 35.9 | 0 | 0 | 0 | 0 | 108.6 | D166 | S164-D166 VanDerWaalsContact C-N 3.29Š| ||
| 165 | S | 68.9 | Low | 84.1 | Confident | 21 Ų | 21 | 67.2 Ų | 67.2 | 15% | 0.147 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -68.2 | -32.2 | -179.4 | 167.4 | 0 | 0 | 0 | 0 | 112.2 | I114 V115 | I114-S165 WeakPolarHBondContact CG1-O 3.34Å; V115-S165 WeakPolarHBondContact O-CA 3.44Å |
| 166 | D | 77.1 | Confident | 83.7 | Confident | 121 Ų | 121 | 67 Ų | 67 | 65% | 0.647 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -114.3 | 4.4 | -153.4 | -45 | -40.2 | 0 | 0 | 0 | 113.6 | S164 | S164-D166 VanDerWaalsContact C-N 3.29Š|
| 167 | E | 87 | Confident | 83.1 | Confident | 131 Ų | 131 | 70 Ų | 70 | 61% | 0.612 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -126.6 | 138.3 | -176.9 | -67.8 | -173 | 153.5 | 0 | 0 | 112.9 | L169 | E167-L169 PolarHBondContact O-N 3.25Š|
| 168 | W | 91 | Very high | 82.5 | Confident | 55 Ų | 55 | 69.5 Ų | 69.5 | 21% | 0.208 | 37% | 0.371 | C | S | . | . | trans | -76 | 111.7 | 174.5 | -75.8 | 92 | 0 | 0 | 0 | 111.5 | L60 F63 T65 A67 K112 I114 K170 C200 D202 | L60-W168 HydrophobicContact CD1-CH2 4.2Å; L60-W168 HydrophobicContact CD1-CZ2 3.77Å; F63-W168 AromaticContact CD1-CD1 3.67Å; F63-W168 AromaticContact CD1-NE1 3.26Å; F63-W168 VanDerWaalsContact CD1-NE1 3.26Å; F63-W168 HydrophobicContact CD2-CZ2 4.44Å; F63-W168 AromaticContact CD2-NE1 3.61Å; F63-W168 AromaticContact CE1-CD1 3.72Å; F63-W168 AromaticContact CE1-NE1 3.56Å; F63-W168 AromaticContact CE2-NE1 3.9Å; F63-W168 AromaticContact CG-NE1 3.28Å; F63-W168 VanDerWaalsContact CG-NE1 3.28Å; F63-W168 AromaticContact CZ-NE1 3.88Å; T65-W168 HydrophobicContact CG2-CZ2 4.48Å; A67-W168 HydrophobicContact CB-CH2 3.81Å; A67-W168 HydrophobicContact CB-CZ2 4.47Å; K112-W168 HydrophobicContact CB-CD2 4.49Å; K112-W168 HydrophobicContact CB-CE3 3.67Å; K112-W168 HydrophobicContact CB-CZ3 4.24Å; I114-W168 HydrophobicContact CB-CD2 3.86Å; I114-W168 HydrophobicContact CB-CE3 3.91Å; I114-W168 HydrophobicContact CB-CG 4.31Å; I114-W168 HydrophobicContact CB-CZ2 4.5Å; I114-W168 HydrophobicContact CB-CZ3 4.28Å; I114-W168 HydrophobicContact CD1-CG 4.5Å; I114-W168 HydrophobicContact CG2-CD2 3.87Å; I114-W168 HydrophobicContact CG2-CE3 3.87Å; I114-W168 HydrophobicContact CG2-CH2 3.65Å; I114-W168 HydrophobicContact CG2-CZ2 3.59Å; I114-W168 HydrophobicContact CG2-CZ3 3.77Å; W168-K170 PolarHBondContact O-N 2.82Å; W168-C200 HydrophobicContact CH2-CB 4.11Å; W168-D202 HydrophobicContact CE3-CB 4.48Å; W168-D202 HydrophobicContact CH2-CB 3.6Å; W168-D202 HydrophobicContact CZ2-CB 4.49Å; W168-D202 HydrophobicContact CZ3-CB 3.61Å | ||
| 169 | L | 91.1 | Very high | 82 | Confident | 51 Ų | 51 | 70.2 Ų | 70.2 | 27% | 0.267 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 113.7 | 174.2 | -63.1 | 177.7 | 0 | 0 | 0 | 110.1 | K112 Y113 L163 E167 | K112-L169 WeakPolarHBondContact CA-O 3.31Å; Y113-L169 HydrophobicContact CD1-CB 3.97Å; Y113-L169 WeakPolarHBondContact CD1-O 3.5Å; Y113-L169 HydrophobicContact CE1-CB 3.58Å; Y113-L169 HydrophobicContact CE1-CD1 4.11Å; Y113-L169 HydrophobicContact CE1-CG 4.5Å; Y113-L169 HydrophobicContact CE2-CD1 4.5Å; Y113-L169 PolarHBondContact N-O 2.95Å; Y113-L169 PolarHBondContact O-N 2.86Å; L163-L169 HydrophobicContact CD2-CD1 3.7Å; E167-L169 PolarHBondContact O-N 3.25Å |
| 170 | K | 91.8 | Very high | 81.9 | Confident | 126 Ų | 126 | 72.8 Ų | 72.8 | 55% | 0.548 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 124.3 | 172.7 | -172.8 | -176.1 | 178.5 | -171.4 | 0 | 110.1 | K112 W168 M172 | K112-K170 HydrophobicContact CG-CB 4.45Å; K112-K170 HydrophobicContact CG-CG 4.49Å; W168-K170 PolarHBondContact O-N 2.82Å; K170-M172 VanDerWaalsContact CE-SD 3.56Å |
| 171 | I | 92.9 | Very high | 82.5 | Confident | 32 Ų | 32 | 72.3 Ų | 72.3 | 16% | 0.164 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 139.1 | 177.1 | -57.6 | -59.6 | 0 | 0 | 0 | 109.3 | G110 F111 Y113 F157 V173 | G110-I171 WeakPolarHBondContact CA-O 3.46Å; F111-I171 HydrophobicContact CD1-CB 4.42Å; F111-I171 HydrophobicContact CE1-CB 3.96Å; F111-I171 HydrophobicContact CE1-CG2 3.84Å; F111-I171 HydrophobicContact CE2-CB 4.13Å; F111-I171 HydrophobicContact CE2-CG1 4.25Å; F111-I171 HydrophobicContact CZ-CB 3.81Å; F111-I171 HydrophobicContact CZ-CG1 4.2Å; F111-I171 HydrophobicContact CZ-CG2 3.85Å; F111-I171 PolarHBondContact N-O 3.29Å; F111-I171 PolarHBondContact O-N 2.6Å; Y113-I171 HydrophobicContact CD1-CG1 3.87Å; Y113-I171 HydrophobicContact CE1-CD1 3.94Å; Y113-I171 HydrophobicContact CE1-CG1 3.52Å; F157-I171 HydrophobicContact CD2-CG2 3.74Å; F157-I171 HydrophobicContact CE1-CG1 4.48Å; F157-I171 HydrophobicContact CE2-CD1 3.82Å; F157-I171 HydrophobicContact CE2-CG1 4.03Å; F157-I171 HydrophobicContact CE2-CG2 3.75Å; F157-I171 HydrophobicContact CG-CG2 4.17Å; F157-I171 HydrophobicContact CZ-CD1 3.92Å; F157-I171 HydrophobicContact CZ-CG1 3.84Å; F157-I171 HydrophobicContact CZ-CG2 4.19Å; I171-V173 HydrophobicContact CG2-CG2 3.66Å |
| 172 | M | 93.4 | Very high | 83.7 | Confident | 66 Ų | 66 | 67.3 Ų | 67.3 | 33% | 0.325 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 132.4 | 168.7 | -53.8 | -62.4 | -58.3 | 0 | 0 | 107.9 | C108 L109 K170 Y207 C211 L214 | C108-M172 WeakPolarHBondContact SG-CE 3.02Å; L109-M172 CarbonylContact O-C 3.58Å; L109-M172 WeakPolarHBondContact O-CA 3.37Å; K170-M172 VanDerWaalsContact CE-SD 3.56Å; M172-Y207 HydrophobicContact CE-CD2 4.02Å; M172-Y207 HydrophobicContact CE-CE2 3.61Å; M172-C211 HydrophobicContact CB-CB 4.28Å; M172-L214 HydrophobicContact CE-CD1 3.65Å |
| 173 | V | 94.4 | Very high | 85.4 | Confident | 11 Ų | 11 | 62.1 Ų | 62.1 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 118.7 | -177 | -170.6 | 0 | 0 | 0 | 0 | 110 | L109 F111 L128 L156 F157 I171 L175 C211 | L109-V173 PolarHBondContact N-O 2.87Å; L109-V173 PolarHBondContact O-N 2.87Å; F111-V173 HydrophobicContact CE1-CG2 3.98Å; L128-V173 HydrophobicContact CD2-CB 4.16Å; L128-V173 HydrophobicContact CD2-CG1 4.14Å; L128-V173 HydrophobicContact CD2-CG2 3.98Å; L156-V173 HydrophobicContact CB-CG1 3.91Å; F157-V173 HydrophobicContact CB-CG1 4.44Å; F157-V173 HydrophobicContact CB-CG2 3.85Å; F157-V173 HydrophobicContact CG-CG2 4.38Å; I171-V173 HydrophobicContact CG2-CG2 3.66Å; V173-L175 PolarHBondContact O-N 3.48Å; V173-C211 PolarHBondContact O-SG 3.34Å |
| 174 | D | 93.1 | Very high | 87 | Confident | 89 Ų | 89 | 60.6 Ų | 60.6 | 48% | 0.476 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 130.3 | 173.2 | -75.6 | -60.2 | 0 | 0 | 0 | 109.9 | P176 C211 | D174-P176 WeakPolarHBondContact O-CD 3.27Å; D174-C211 PolarHBondContact N-SG 3.15Å; D174-C211 VanDerWaalsContact OD1-CB 3.27Å; D174-C211 WeakPolarHBondContact OD1-CB 3.31Å; D174-C211 PolarHBondContact OD1-N 3Å; D174-C211 PolarHBondContact OD1-SG 2.8Å; D174-C211 VanDerWaalsContact OD1-SG 3.36Å |
| 175 | L | 91.6 | Very high | 88.5 | Confident | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | trans | -99.8 | 109.2 | 176 | -64.4 | -173.1 | 0 | 0 | 0 | 109.2 | I106 Q107 L109 L156 V173 L184 | I106-L175 HydrophobicContact CB-CD1 4.24Å; I106-L175 HydrophobicContact CG2-CD1 3.74Å; Q107-L175 PolarHBondContact O-N 3.1Å; L109-L175 HydrophobicContact CB-CD1 4.29Å; L109-L175 HydrophobicContact CB-CG 4.34Å; L156-L175 HydrophobicContact CD1-CD2 3.47Å; L156-L175 VanDerWaalsContact CD1-CD2 3.47Å; V173-L175 PolarHBondContact O-N 3.48Å; L175-L184 HydrophobicContact CD1-CD1 4.37Å; L175-L184 HydrophobicContact CD2-CD2 4.1Å | ||
| 176 | P | 85.9 | Confident | 89.9 | Confident | 53 Ų | 53 | 57.1 Ų | 57.1 | 34% | 0.344 | 30% | 0.297 | S | S | . | . | trans | -61 | 129.1 | 179.1 | -23.9 | 34 | 0 | 0 | 0 | 110.5 | K130 D174 T178 | K130-P176 PolarHBondContact NZ-O 3.16Å; K130-P176 VanDerWaalsContact NZ-O 3.11Å; D174-P176 WeakPolarHBondContact O-CD 3.27Å; P176-T178 PolarHBondContact O-N 2.82Å | ||
| 177 | P | 82.3 | Confident | 90.7 | Very high | 99 Ų | 99 | 52.4 Ų | 52.4 | 64% | 0.643 | 27% | 0.271 | S | S | * | . | trans | -61.9 | 128.6 | -174.3 | 24.3 | -34.3 | 0 | 0 | 0 | 110.6 | ||||
| 178 | T | 81.9 | Confident | 91.1 | Very high | 34 Ų | 34 | 46.1 Ų | 46.1 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | trans | -115.9 | 159 | 175.3 | 40.9 | 0 | 0 | 0 | 0 | 112.4 | K105 K130 P176 T180 | K105-T178 PolarHBondContact NZ-O 3.32Å; K130-T178 PolarHBondContact NZ-OG1 3.47Å; P176-T178 PolarHBondContact O-N 2.82Å; T178-T180 PolarHBondContact OG1-O 3Å | ||
| 179 | N | 83.2 | Confident | 91.1 | Very high | 138 Ų | 138 | 44.1 Ų | 44.1 | 74% | 0.738 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -105.2 | 7.1 | 169.8 | -65 | -18.1 | 0 | 0 | 0 | 111.9 | S100 K105 | S100-N179 PolarHBondContact OG-O 3.33Å; K105-N179 PolarHBondContact NZ-OD1 2.84Å |
| 180 | T | 87.7 | Confident | 91 | Very high | 60 Ų | 60 | 41.7 Ų | 41.7 | 37% | 0.368 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -113.9 | 146.9 | 171.4 | 53.6 | 0 | 0 | 0 | 0 | 109.6 | T178 | T178-T180 PolarHBondContact OG1-O 3Š|
| 181 | D | 89.9 | Confident | 90.7 | Very high | 36 Ų | 36 | 36.4 Ų | 36.4 | 19% | 0.193 | 20% | 0.201 | C | C | . | . | trans | -59 | 155.5 | 169.2 | -76.6 | 15.2 | 0 | 0 | 0 | 110.4 | Q97 V98 R99 S100 T133 | Q97-D181 HydrophobicContact CG-CB 4.27Å; Q97-D181 PolarHBondContact NE2-OD2 2.94Å; V98-D181 VanDerWaalsContact O-CA 3.31Å; V98-D181 WeakPolarHBondContact O-CA 3.1Å; R99-D181 VanDerWaalsContact CA-OD1 3.26Å; R99-D181 WeakPolarHBondContact CA-OD1 3.32Å; S100-D181 PolarHBondContact N-OD1 2.87Å; S100-D181 PolarHBondContact OG-OD1 2.99Å; T133-D181 HydrophobicContact CG2-CB 3.79Å; T133-D181 PolarHBondContact N-O 3.34Å; T133-D181 PolarHBondContact OG1-N 2.83Å; T133-D181 PolarHBondContact OG1-O 2.95Å; T133-D181 VanDerWaalsContact OG1-O 3.13Å | ||
| 182 | Y | 92 | Very high | 90.2 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 5% | 0.051 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 164.4 | 177.1 | 62.4 | -88.3 | 0 | 0 | 0 | 112.9 | V98 K130 H131 L184 | V98-Y182 HydrophobicContact CB-CD1 4.22Å; V98-Y182 HydrophobicContact CB-CD2 4.12Å; V98-Y182 HydrophobicContact CB-CE1 3.95Å; V98-Y182 HydrophobicContact CB-CE2 3.84Å; V98-Y182 HydrophobicContact CB-CG 4.31Å; V98-Y182 HydrophobicContact CG1-CD1 4.49Å; V98-Y182 HydrophobicContact CG1-CE1 3.79Å; V98-Y182 HydrophobicContact CG1-CE2 4.22Å; V98-Y182 HydrophobicContact CG2-CD2 4.15Å; V98-Y182 HydrophobicContact CG2-CE2 3.71Å; V98-Y182 PolarHBondContact N-O 2.86Å; V98-Y182 PolarHBondContact O-N 3.37Å; K130-Y182 HydrophobicContact CD-CD1 4.21Å; K130-Y182 HydrophobicContact CD-CD2 3.6Å; K130-Y182 HydrophobicContact CD-CE2 4.03Å; K130-Y182 HydrophobicContact CD-CG 3.7Å; K130-Y182 HydrophobicContact CG-CD2 3.73Å; K130-Y182 HydrophobicContact CG-CG 3.93Å; H131-Y182 CarbonylContact O-C 3.52Å; H131-Y182 WeakPolarHBondContact O-CA 3.44Å; H131-Y182 WeakPolarHBondContact O-CB 3.39Å; Y182-L184 HydrophobicContact CD2-CD2 4.25Å; Y182-L184 HydrophobicContact CD2-CG 4.29Å; Y182-L184 HydrophobicContact CE2-CD2 4.08Å; Y182-L184 HydrophobicContact CE2-CG 4.1Å |
| 183 | K | 93.6 | Very high | 89.5 | Confident | 76 Ų | 76 | 35.9 Ų | 35.9 | 33% | 0.33 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 152.4 | 163.1 | -67.9 | -175.7 | 177 | -172.6 | 0 | 109.5 | W94 Q97 H131 | W94-K183 HydrophobicContact CE3-CB 4.17Å; W94-K183 HydrophobicContact CE3-CD 4.05Å; Q97-K183 HydrophobicContact CB-CG 4.36Å; H131-K183 PolarHBondContact N-O 2.86Å; H131-K183 PolarHBondContact O-N 2.89Å |
| 184 | L | 95 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 146.6 | 168.9 | -62.8 | 167.8 | 0 | 0 | 0 | 108.5 | V32 W44 S95 L109 L128 M129 K130 L156 L175 Y182 | V32-L184 HydrophobicContact CG1-CD1 3.69Å; V32-L184 HydrophobicContact CG2-CD1 4.27Å; W44-L184 HydrophobicContact CH2-CB 4Å; S95-L184 PolarHBondContact N-O 3.36Å; S95-L184 PolarHBondContact OG-N 2.82Å; L109-L184 HydrophobicContact CD1-CD1 4.26Å; L109-L184 HydrophobicContact CD2-CD1 4.01Å; L128-L184 HydrophobicContact CD1-CB 4.4Å; M129-L184 CarbonylContact O-C 3.58Å; M129-L184 WeakPolarHBondContact O-CA 3.34Å; K130-L184 HydrophobicContact CB-CD2 4.35Å; K130-L184 HydrophobicContact CG-CD2 4.46Å; L156-L184 HydrophobicContact CD1-CD2 3.78Å; L175-L184 HydrophobicContact CD1-CD1 4.37Å; L175-L184 HydrophobicContact CD2-CD2 4.1Å; Y182-L184 HydrophobicContact CD2-CD2 4.25Å; Y182-L184 HydrophobicContact CD2-CG 4.29Å; Y182-L184 HydrophobicContact CE2-CD2 4.08Å; Y182-L184 HydrophobicContact CE2-CG 4.1Å |
| 185 | I | 95.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 122.7 | 178.7 | -48.2 | 169.6 | 0 | 0 | 0 | 107.5 | R92 L93 W94 L128 M129 H131 N153 | R92-I185 HydrophobicContact CB-CG2 3.87Å; R92-I185 HydrophobicContact CG-CG2 3.99Å; L93-I185 WeakPolarHBondContact O-CA 3.39Å; W94-I185 HydrophobicContact CD2-CD1 4.31Å; W94-I185 HydrophobicContact CD2-CG1 3.92Å; W94-I185 HydrophobicContact CE3-CD1 3.97Å; W94-I185 HydrophobicContact CE3-CG1 3.64Å; W94-I185 HydrophobicContact CH2-CD1 3.41Å; W94-I185 VanDerWaalsContact CH2-CD1 3.41Å; W94-I185 HydrophobicContact CH2-CG1 4.06Å; W94-I185 HydrophobicContact CZ2-CD1 3.76Å; W94-I185 HydrophobicContact CZ2-CG1 4.3Å; W94-I185 HydrophobicContact CZ3-CD1 3.53Å; W94-I185 HydrophobicContact CZ3-CG1 3.72Å; L128-I185 CarbonylContact C-O 3.56Å; L128-I185 WeakPolarHBondContact CA-O 3.13Å; M129-I185 HydrophobicContact CB-CB 4.32Å; M129-I185 HydrophobicContact CE-CB 4.43Å; M129-I185 HydrophobicContact CE-CG2 4.21Å; M129-I185 PolarHBondContact N-O 3.15Å; M129-I185 PolarHBondContact O-N 2.9Å; H131-I185 HydrophobicContact CB-CD1 4.02Å; N153-I185 WeakPolarHBondContact ND2-CD1 3.36Å |
| 186 | L | 96.6 | Very high | 87.7 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 115.8 | 163.7 | -73.7 | 164.8 | 0 | 0 | 0 | 107.7 | W44 R92 L93 L126 N127 L128 V201 I204 | W44-L186 HydrophobicContact CH2-CD1 4.03Å; W44-L186 HydrophobicContact CH2-CG 4.28Å; W44-L186 HydrophobicContact CZ3-CD1 3.97Å; W44-L186 HydrophobicContact CZ3-CG 4.13Å; R92-L186 CarbonylContact C-O 3.52Å; R92-L186 WeakPolarHBondContact CA-O 3.4Å; L93-L186 HydrophobicContact CB-CB 4.31Å; L93-L186 PolarHBondContact N-O 2.77Å; L93-L186 PolarHBondContact O-N 2.79Å; L126-L186 HydrophobicContact CD1-CD2 4.28Å; N127-L186 WeakPolarHBondContact O-CA 3.35Å; L128-L186 HydrophobicContact CB-CD2 4.35Å; L128-L186 HydrophobicContact CD1-CD2 3.72Å; L128-L186 HydrophobicContact CD1-CG 4.04Å; L186-V201 HydrophobicContact CD1-CG1 3.99Å; L186-I204 HydrophobicContact CD1-CD1 3.73Å |
| 187 | E | 95.6 | Very high | 87.8 | Confident | 22 Ų | 22 | 38.7 Ų | 38.7 | 10% | 0.103 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 115.7 | 177.4 | 178.8 | -176.2 | -105 | 0 | 0 | 108.3 | A91 R92 L126 N127 M129 | A91-E187 WeakPolarHBondContact O-CA 3.32Å; R92-E187 HydrophobicContact CG-CB 4.07Å; R92-E187 HydrophobicContact CG-CG 4Å; R92-E187 IonicContact CZ-OE1 2.72Å; R92-E187 IonicContact NE-OE1 3.18Å; R92-E187 PolarHBondContact NE-OE1 3.26Å; R92-E187 IonicContact NH2-OE1 2.79Å; R92-E187 PolarHBondContact NH2-OE1 3.07Å; L126-E187 WeakPolarHBondContact CA-O 3.39Å; N127-E187 HydrophobicContact CB-CB 4.32Å; N127-E187 PolarHBondContact N-O 2.83Å; N127-E187 PolarHBondContact ND2-OE2 2.8Å; N127-E187 PolarHBondContact O-N 3.04Å; M129-E187 HydrophobicContact CE-CB 3.54Å; M129-E187 HydrophobicContact CE-CG 4.18Å; M129-E187 WeakPolarHBondContact CE-OE2 3.36Å |
| 188 | G | 93.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 140.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L70 S90 A91 R125 | L70-G188 VanDerWaalsContact CD2-C 3.41Å; L70-G188 WeakPolarHBondContact CD2-O 3.44Å; S90-G188 VanDerWaalsContact CA-O 3.26Å; S90-G188 WeakPolarHBondContact CA-O 3.39Å; S90-G188 PolarHBondContact OG-O 2.89Å; A91-G188 PolarHBondContact N-O 3.48Å; A91-G188 PolarHBondContact O-N 2.97Å; A91-G188 VanDerWaalsContact O-N 3.07Å; R125-G188 CarbonylContact O-C 3.46Å; R125-G188 WeakPolarHBondContact O-CA 3.43Å |
| 189 | T | 91.7 | Very high | 88.6 | Confident | 13 Ų | 13 | 36.6 Ų | 36.6 | 8% | 0.08 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 124.1 | -178.6 | -46.6 | 0 | 0 | 0 | 0 | 110.7 | E88 G89 S90 R125 | E88-T189 HydrophobicContact CG-CG2 3.65Å; E88-T189 VanDerWaalsContact OE1-CG2 3.25Å; E88-T189 WeakPolarHBondContact OE1-CG2 3.47Å; G89-T189 CarbonylContact O-C 3.59Å; G89-T189 WeakPolarHBondContact O-CA 3.45Å; S90-T189 PolarHBondContact OG-OG1 3Å; R125-T189 PolarHBondContact N-O 2.04Å; R125-T189 PolarHBondContact O-N 2.8Å |
| 190 | I | 88.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 122.8 | 176.3 | -65.8 | 159.5 | 0 | 0 | 0 | 108.5 | L70 G89 I124 A197 I199 | L70-I190 HydrophobicContact CB-CD1 4.34Å; L70-I190 HydrophobicContact CD2-CD1 3.6Å; L70-I190 HydrophobicContact CD2-CG1 3.78Å; L70-I190 HydrophobicContact CG-CD1 3.74Å; L70-I190 HydrophobicContact CG-CG1 4.47Å; G89-I190 PolarHBondContact N-O 3.08Å; G89-I190 PolarHBondContact O-N 2.87Å; I124-I190 HydrophobicContact CD1-CG1 4.1Å; I190-A197 WeakPolarHBondContact CD1-O 3.23Å; I190-A197 HydrophobicContact CG2-CB 4.45Å; I190-I199 HydrophobicContact CG1-CG1 4.45Å |
| 191 | P | 85.7 | Confident | 89.5 | Confident | 14 Ų | 14 | 27.1 Ų | 27.1 | 9% | 0.091 | 15% | 0.15 | C | C | . | . | trans | -70.1 | 152.6 | -178.4 | 30 | -35 | 0 | 0 | 0 | 111.7 | L121 H123 I124 G193 Y194 | L121-P191 HydrophobicContact CD2-CG 4.29Å; H123-P191 WeakPolarHBondContact O-CD 3.49Å; H123-P191 WeakPolarHBondContact O-CG 3.33Å; I124-P191 HydrophobicContact CG1-CG 4.39Å; P191-G193 PolarHBondContact O-N 3.25Å; P191-Y194 HydrophobicContact CG-CD2 4Å | ||
| 192 | A | 82.3 | Confident | 89.7 | Confident | 48 Ų | 48 | 25.9 Ų | 25.9 | 40% | 0.397 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 139.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I86 Y194 | I86-A192 WeakPolarHBondContact O-CB 3.42Å; A192-Y194 WeakPolarHBondContact O-CD2 3.26Å |
| 193 | G | 78.6 | Confident | 89.9 | Confident | 40 Ų | 40 | 28 Ų | 28 | 41% | 0.412 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.3 | -6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | P191 P195 | P191-G193 PolarHBondContact O-N 3.25Å; G193-P195 VanDerWaalsContact C-CD 3.49Å; G193-P195 WeakPolarHBondContact O-CD 3.25Å |
| 194 | Y | 81.4 | Confident | 89.9 | Confident | 60 Ų | 60 | 24.6 Ų | 24.6 | 24% | 0.235 | 14% | 0.141 | C | C | . | . | trans | -125 | 64.4 | -172.1 | -61.5 | -91.7 | 0 | 0 | 0 | 113.4 | K119 R120 L121 P122 P191 A192 D196 A197 | K119-Y194 HydrophobicContact CB-CE1 4.27Å; R120-Y194 PolarHBondContact O-OH 2.82Å; L121-Y194 HydrophobicContact CD2-CD1 3.33Å; L121-Y194 HydrophobicContact CD2-CD2 3.92Å; L121-Y194 HydrophobicContact CD2-CE1 3.92Å; L121-Y194 HydrophobicContact CD2-CE2 4.47Å; L121-Y194 HydrophobicContact CD2-CG 3.32Å; L121-Y194 HydrophobicContact CG-CD1 4.19Å; L121-Y194 HydrophobicContact CG-CE1 4.5Å; P122-Y194 VanDerWaalsContact CD-CZ 3.43Å; P122-Y194 VanDerWaalsContact CD-OH 3.3Å; P122-Y194 WeakPolarHBondContact CD-OH 3.3Å; P122-Y194 HydrophobicContact CG-CE2 4.01Å; P191-Y194 HydrophobicContact CG-CD2 4Å; A192-Y194 WeakPolarHBondContact O-CD2 3.26Å; Y194-D196 PolarHBondContact O-N 3.44Å; Y194-A197 PolarHBondContact O-N 3.15Å | ||
| 195 | P | 78.3 | Confident | 89.9 | Confident | 53 Ų | 53 | 26.1 Ų | 26.1 | 34% | 0.344 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -23.1 | -175.9 | 29.9 | -37.1 | 0 | 0 | 0 | 114.2 | L72 G193 | L72-P195 HydrophobicContact CD2-CB 4.39Å; G193-P195 VanDerWaalsContact C-CD 3.49Å; G193-P195 WeakPolarHBondContact O-CD 3.25Å |
| 196 | D | 81.9 | Confident | 89.7 | Confident | 101 Ų | 101 | 27.2 Ų | 27.2 | 54% | 0.54 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -15.5 | 179.9 | -52.6 | -33.3 | 0 | 0 | 0 | 112.6 | Y194 | Y194-D196 PolarHBondContact O-N 3.44Š|
| 197 | A | 87.2 | Confident | 89.4 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 3% | 0.025 | 17% | 0.169 | C | C | . | . | trans | -77.1 | 140.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L116 F117 L121 I124 I190 Y194 | L116-A197 WeakPolarHBondContact O-CA 3.39Å; F117-A197 HydrophobicContact CB-CB 4.3Å; L121-A197 HydrophobicContact CD1-CB 4.11Å; L121-A197 HydrophobicContact CD2-CB 3.94Å; I124-A197 HydrophobicContact CD1-CB 3.84Å; I190-A197 WeakPolarHBondContact CD1-O 3.23Å; I190-A197 HydrophobicContact CG2-CB 4.45Å; Y194-A197 PolarHBondContact O-N 3.15Å | ||
| 198 | R | 88.9 | Confident | 89.1 | Confident | 89 Ų | 89 | 33 Ų | 33 | 34% | 0.336 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146 | -178.1 | -56 | -173.5 | -168.6 | -159.9 | 5.4 | 111 | H71 V115 L116 | H71-R198 PolarHBondContact CE1-NH1 2.9Å; H71-R198 PolarHBondContact NE2-NH1 2.99Å; V115-R198 CarbonylContact C-O 3.59Å; V115-R198 VanDerWaalsContact CA-O 3.32Å; V115-R198 WeakPolarHBondContact CA-O 3.47Å; L116-R198 PolarHBondContact N-O 2.9Å; L116-R198 PolarHBondContact O-N 2.87Å |
| 199 | I | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 117.2 | 168.5 | -48 | 176.3 | 0 | 0 | 0 | 106.1 | W55 C69 L70 V115 I124 R125 L126 I190 | W55-I199 HydrophobicContact CH2-CG2 4.48Å; C69-I199 CarbonylContact C-O 3.6Å; C69-I199 VanDerWaalsContact CA-O 3.3Å; C69-I199 WeakPolarHBondContact CA-O 3.1Å; L70-I199 HydrophobicContact CB-CB 4.17Å; L70-I199 HydrophobicContact CD2-CD1 3.82Å; L70-I199 HydrophobicContact CD2-CG1 4.23Å; L70-I199 PolarHBondContact N-O 3.25Å; V115-I199 HydrophobicContact CG2-CG2 4.28Å; I124-I199 HydrophobicContact CD1-CG1 4.35Å; I124-I199 HydrophobicContact CG2-CD1 3.56Å; I124-I199 HydrophobicContact CG2-CG1 3.62Å; R125-I199 WeakPolarHBondContact O-CD1 3.37Å; L126-I199 HydrophobicContact CB-CG2 4.29Å; L126-I199 HydrophobicContact CD1-CG2 4.3Å; L126-I199 HydrophobicContact CD2-CG2 4.22Å; I190-I199 HydrophobicContact CG1-CG1 4.45Å |
| 200 | C | 94.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 135.8 | 177.2 | -63.6 | 0 | 0 | 0 | 0 | 109.9 | L60 A67 A68 C69 Y113 I114 W168 | L60-C200 HydrophobicContact CD1-CB 4.21Å; A67-C200 HydrophobicContact CB-CB 4.11Å; A68-C200 CarbonylContact O-C 3.51Å; A68-C200 WeakPolarHBondContact O-CA 3.43Å; C69-C200 HydrophobicContact CB-CB 4.16Å; C69-C200 WeakPolarHBondContact CB-SG 3.49Å; C69-C200 WeakPolarHBondContact SG-CB 3.18Å; C69-C200 CovalentContact SG-SG 2.04Å; C69-C200 PolarHBondContact SG-SG 2.85Å; Y113-C200 CarbonylContact C-O 3.3Å; Y113-C200 WeakPolarHBondContact CA-O 3.47Å; Y113-C200 WeakPolarHBondContact CB-O 3.36Å; I114-C200 HydrophobicContact CG2-CB 3.77Å; I114-C200 PolarHBondContact N-O 2.78Å; I114-C200 PolarHBondContact O-N 3.45Å; W168-C200 HydrophobicContact CH2-CB 4.11Å |
| 201 | V | 95.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 136.1 | 178.8 | -178.9 | 0 | 0 | 0 | 0 | 109 | F36 W55 A68 F111 K112 L126 L186 I204 | F36-V201 WeakPolarHBondContact CE2-O 3.4Å; W55-V201 HydrophobicContact CH2-CG2 3.89Å; W55-V201 HydrophobicContact CZ3-CB 4.46Å; W55-V201 HydrophobicContact CZ3-CG2 3.96Å; A68-V201 PolarHBondContact N-O 2.74Å; A68-V201 PolarHBondContact O-N 2.88Å; F111-V201 HydrophobicContact CB-CG1 4.45Å; F111-V201 HydrophobicContact CD2-CG1 4.1Å; K112-V201 WeakPolarHBondContact O-CA 3.16Å; L126-V201 HydrophobicContact CD1-CG2 4.31Å; L126-V201 HydrophobicContact CD2-CG2 3.83Å; L186-V201 HydrophobicContact CD1-CG1 3.99Å; V201-I204 HydrophobicContact CG1-CD1 4.13Å; V201-I204 HydrophobicContact CG1-CG1 4.06Å |
| 202 | D | 95.2 | Very high | 88.9 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 5% | 0.053 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 161.5 | -177.2 | 174.5 | 45.8 | 0 | 0 | 0 | 111.7 | A67 K112 W168 I204 | A67-D202 HydrophobicContact CB-CB 4.2Å; K112-D202 PolarHBondContact N-O 2.93Å; K112-D202 PolarHBondContact O-N 2.88Å; W168-D202 HydrophobicContact CE3-CB 4.48Å; W168-D202 HydrophobicContact CH2-CB 3.6Å; W168-D202 HydrophobicContact CZ2-CB 4.49Å; W168-D202 HydrophobicContact CZ3-CB 3.61Å; D202-I204 VanDerWaalsContact C-N 3.31Å; D202-I204 PolarHBondContact O-N 3.24Å |
| 203 | N | 94.2 | Very high | 89 | Confident | 58 Ų | 58 | 41.9 Ų | 41.9 | 31% | 0.31 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 52.2 | 48.7 | 169.5 | -169.9 | 82.6 | 0 | 0 | 0 | 111.9 | K112 T205 | K112-N203 HydrophobicContact CD-CB 4.34Å; N203-T205 PolarHBondContact ND2-OG1 2.89Å; N203-T205 PolarHBondContact O-N 2.81Å; N203-T205 PolarHBondContact O-OG1 2.82Å |
| 204 | I | 95.4 | Very high | 89.2 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 119.3 | 170.9 | -53.7 | 176.9 | 0 | 0 | 0 | 106.7 | V32 S33 C34 F36 W44 L109 G110 F111 L186 V201 D202 | V32-I204 HydrophobicContact CG1-CG2 4.24Å; S33-I204 CarbonylContact C-O 3.52Å; S33-I204 WeakPolarHBondContact CA-O 3.39Å; C34-I204 PolarHBondContact N-O 2.87Å; C34-I204 PolarHBondContact O-N 2.8Å; F36-I204 HydrophobicContact CE2-CD1 4.12Å; F36-I204 HydrophobicContact CE2-CG1 4.34Å; F36-I204 HydrophobicContact CZ-CD1 3.87Å; W44-I204 HydrophobicContact CD2-CD1 4.47Å; W44-I204 HydrophobicContact CH2-CD1 4.35Å; W44-I204 HydrophobicContact CZ2-CD1 3.79Å; W44-I204 HydrophobicContact CZ2-CG2 3.95Å; L109-I204 HydrophobicContact CD1-CG2 3.87Å; L109-I204 HydrophobicContact CG-CG2 4.49Å; G110-I204 CarbonylContact O-C 3.47Å; G110-I204 WeakPolarHBondContact O-CA 3.2Å; F111-I204 HydrophobicContact CB-CB 4.48Å; F111-I204 HydrophobicContact CB-CG1 4.03Å; L186-I204 HydrophobicContact CD1-CD1 3.73Å; V201-I204 HydrophobicContact CG1-CD1 4.13Å; V201-I204 HydrophobicContact CG1-CG1 4.06Å; D202-I204 VanDerWaalsContact C-N 3.31Å; D202-I204 PolarHBondContact O-N 3.24Å |
| 205 | T | 93.7 | Very high | 88.8 | Confident | 32 Ų | 32 | 45.6 Ų | 45.6 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 123.9 | -173.6 | -40.9 | 0 | 0 | 0 | 0 | 109.3 | G110 N203 Y207 | G110-T205 PolarHBondContact N-O 2.87Å; G110-T205 PolarHBondContact O-N 2.89Å; N203-T205 PolarHBondContact ND2-OG1 2.89Å; N203-T205 PolarHBondContact O-N 2.81Å; N203-T205 PolarHBondContact O-OG1 2.82Å; T205-Y207 HydrophobicContact CG2-CE1 3.98Å; T205-Y207 HydrophobicContact CG2-CE2 3.94Å; T205-Y207 WeakPolarHBondContact O-CE2 3.47Å |
| 206 | S | 91.9 | Very high | 87.9 | Confident | 23 Ų | 23 | 51.2 Ų | 51.2 | 16% | 0.161 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 140.2 | 176.4 | 95.5 | 0 | 0 | 0 | 0 | 111 | D30 S33 | D30-S206 PolarHBondContact OD1-OG 2.92Å; D30-S206 PolarHBondContact OD2-OG 2.78Å; S33-S206 PolarHBondContact OG-N 2.83Å |
| 207 | Y | 90.1 | Very high | 86.8 | Confident | 65 Ų | 65 | 50.7 Ų | 50.7 | 26% | 0.255 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138.4 | 178.6 | -55.5 | -87.5 | 0 | 0 | 0 | 110.8 | I106 Q107 C108 M172 T205 E209 L214 | I106-Y207 CarbonylContact C-O 3.57Å; I106-Y207 WeakPolarHBondContact CA-O 3.48Å; I106-Y207 WeakPolarHBondContact CG2-O 3.42Å; Q107-Y207 PolarHBondContact N-O 3.49Å; C108-Y207 HydrophobicContact CB-CD2 4.44Å; C108-Y207 PolarHBondContact N-O 3.2Å; C108-Y207 VanDerWaalsContact N-O 3.15Å; C108-Y207 PolarHBondContact O-N 3.19Å; M172-Y207 HydrophobicContact CE-CD2 4.02Å; M172-Y207 HydrophobicContact CE-CE2 3.61Å; T205-Y207 HydrophobicContact CG2-CE1 3.98Å; T205-Y207 HydrophobicContact CG2-CE2 3.94Å; T205-Y207 WeakPolarHBondContact O-CE2 3.47Å; Y207-E209 VanDerWaalsContact C-N 3.3Å; Y207-L214 HydrophobicContact CD1-CD1 3.82Å; Y207-L214 HydrophobicContact CD1-CD2 4.04Å; Y207-L214 HydrophobicContact CD2-CD1 3.57Å; Y207-L214 HydrophobicContact CE1-CD1 4.24Å; Y207-L214 HydrophobicContact CE1-CD2 4.39Å; Y207-L214 HydrophobicContact CE2-CD1 4.01Å; Y207-L214 HydrophobicContact CG-CD1 3.46Å; Y207-L214 VanDerWaalsContact CG-CD1 3.46Å; Y207-L214 HydrophobicContact CG-CD2 4.45Å |
| 208 | T | 88.6 | Confident | 85.2 | Confident | 81 Ų | 81 | 54.4 Ų | 54.4 | 50% | 0.497 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -80.5 | -11.3 | 173.9 | 48.1 | 0 | 0 | 0 | 0 | 113.3 | Q107 | Q107-T208 VanDerWaalsContact CD-O 3.29Å; Q107-T208 WeakPolarHBondContact CG-O 3.48Å; Q107-T208 PolarHBondContact NE2-O 3.39Å |
| 209 | E | 86.5 | Confident | 83.1 | Confident | 108 Ų | 108 | 52.8 Ų | 52.8 | 51% | 0.505 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -95.4 | 150.6 | 174.5 | -64.6 | -175.6 | -176.9 | 0 | 0 | 111.2 | C108 Y207 A213 | C108-E209 WeakPolarHBondContact CB-O 3.43Å; C108-E209 PolarHBondContact N-O 2.95Å; Y207-E209 VanDerWaalsContact C-N 3.3Å; E209-A213 HydrophobicContact CB-CB 4.36Å |
| 210 | P | 89.2 | Confident | 81 | Confident | 44 Ų | 44 | 58.4 Ų | 58.4 | 29% | 0.286 | 34% | 0.344 | S | S | . | . | trans | -68.6 | 154 | 176.4 | 30.4 | -36 | 0 | 0 | 0 | 111.2 | S212 A213 | P210-S212 PolarHBondContact O-N 3.4Å; P210-S212 VanDerWaalsContact O-N 3.14Å; P210-A213 HydrophobicContact CG-CB 4.17Å; P210-A213 WeakPolarHBondContact O-CB 3.39Å; P210-A213 PolarHBondContact O-N 2.82Å | ||
| 211 | C | 91.8 | Very high | 78.6 | Confident | 12 Ų | 12 | 65.9 Ų | 65.9 | 8% | 0.081 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.9 | -31.1 | -174.1 | -59.9 | 0 | 0 | 0 | 0 | 112.4 | C108 M172 V173 D174 A213 L214 E215 | C108-C211 HydrophobicContact CB-CB 4.02Å; C108-C211 WeakPolarHBondContact CB-SG 3.47Å; C108-C211 WeakPolarHBondContact SG-CA 3.43Å; C108-C211 WeakPolarHBondContact SG-CB 3.31Å; C108-C211 CovalentContact SG-SG 2.03Å; C108-C211 PolarHBondContact SG-SG 3.19Å; M172-C211 HydrophobicContact CB-CB 4.28Å; V173-C211 PolarHBondContact O-SG 3.34Å; D174-C211 PolarHBondContact N-SG 3.15Å; D174-C211 VanDerWaalsContact OD1-CB 3.27Å; D174-C211 WeakPolarHBondContact OD1-CB 3.31Å; D174-C211 PolarHBondContact OD1-N 3Å; D174-C211 PolarHBondContact OD1-SG 2.8Å; D174-C211 VanDerWaalsContact OD1-SG 3.36Å; C211-A213 PolarHBondContact O-N 3.43Å; C211-L214 PolarHBondContact O-N 2.83Å; C211-L214 VanDerWaalsContact O-N 3.13Å; C211-E215 PolarHBondContact O-N 2.87Å |
| 212 | S | 89.3 | Confident | 76.3 | Confident | 62 Ų | 62 | 69.8 Ų | 69.8 | 43% | 0.434 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.5 | -17.9 | 175.4 | 60.3 | 0 | 0 | 0 | 0 | 115.1 | P210 K216 | P210-S212 PolarHBondContact O-N 3.4Å; P210-S212 VanDerWaalsContact O-N 3.14Å; S212-K216 WeakPolarHBondContact O-CD 3.45Å; S212-K216 WeakPolarHBondContact O-CG 3.38Å |
| 213 | A | 84.7 | Confident | 74.2 | Confident | 35 Ų | 35 | 74.6 Ų | 74.6 | 29% | 0.289 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -80.4 | -42.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E209 P210 C211 K216 A217 | E209-A213 HydrophobicContact CB-CB 4.36Å; P210-A213 HydrophobicContact CG-CB 4.17Å; P210-A213 WeakPolarHBondContact O-CB 3.39Å; P210-A213 PolarHBondContact O-N 2.82Å; C211-A213 PolarHBondContact O-N 3.43Å; A213-K216 PolarHBondContact O-N 2.56Å; A213-A217 PolarHBondContact O-N 3.43Å |
| 214 | L | 81.6 | Confident | 72.1 | Confident | 37 Ų | 37 | 78.9 Ų | 78.9 | 19% | 0.194 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -66 | -38.8 | 178.5 | -57.9 | 173.2 | 0 | 0 | 0 | 112 | C108 M172 Y207 C211 K216 A217 S218 | C108-L214 HydrophobicContact CB-CD1 4.05Å; M172-L214 HydrophobicContact CE-CD1 3.65Å; Y207-L214 HydrophobicContact CD1-CD1 3.82Å; Y207-L214 HydrophobicContact CD1-CD2 4.04Å; Y207-L214 HydrophobicContact CD2-CD1 3.57Å; Y207-L214 HydrophobicContact CE1-CD1 4.24Å; Y207-L214 HydrophobicContact CE1-CD2 4.39Å; Y207-L214 HydrophobicContact CE2-CD1 4.01Å; Y207-L214 HydrophobicContact CG-CD1 3.46Å; Y207-L214 VanDerWaalsContact CG-CD1 3.46Å; Y207-L214 HydrophobicContact CG-CD2 4.45Å; C211-L214 PolarHBondContact O-N 2.83Å; C211-L214 VanDerWaalsContact O-N 3.13Å; L214-K216 VanDerWaalsContact C-N 3.32Å; L214-K216 PolarHBondContact O-N 3.48Å; L214-A217 PolarHBondContact O-N 3.29Å; L214-A217 VanDerWaalsContact O-N 3.14Å; L214-S218 PolarHBondContact O-N 3.49Å; L214-S218 PolarHBondContact O-OG 3.11Å |
| 215 | E | 74.2 | Confident | 70.3 | Confident | 140 Ų | 140 | 84.9 Ų | 84.9 | 65% | 0.654 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -57.5 | -45.4 | 176.4 | -171.7 | -179.4 | -176.8 | 0 | 0 | 111.1 | C211 A217 S218 A219 | C211-E215 PolarHBondContact O-N 2.87Å; E215-A217 VanDerWaalsContact C-N 3.28Å; E215-A217 PolarHBondContact O-N 2.91Å; E215-S218 WeakPolarHBondContact CA-OG 3.44Å; E215-S218 CarbonylContact O-C 3.49Å; E215-S218 WeakPolarHBondContact O-CA 3.4Å; E215-S218 PolarHBondContact O-N 3.34Å; E215-S218 PolarHBondContact O-OG 2.86Å; E215-A219 PolarHBondContact O-N 2.81Å |
| 216 | K | 59.8 | Low | 69.1 | Low | 171 Ų | 171 | 85.7 Ų | 85.7 | 74% | 0.743 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.8 | -27.8 | 177.9 | -69.1 | 173 | -176.4 | 172.7 | 0 | 113.8 | S212 A213 L214 | S212-K216 WeakPolarHBondContact O-CD 3.45Å; S212-K216 WeakPolarHBondContact O-CG 3.38Å; A213-K216 PolarHBondContact O-N 2.56Å; L214-K216 VanDerWaalsContact C-N 3.32Å; L214-K216 PolarHBondContact O-N 3.48Å |
| 217 | A | 58.1 | Low | 68.3 | Low | 90 Ų | 90 | 94 Ų | 94 | 74% | 0.744 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -78.4 | -25.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A213 L214 E215 | A213-A217 PolarHBondContact O-N 3.43Å; L214-A217 PolarHBondContact O-N 3.29Å; L214-A217 VanDerWaalsContact O-N 3.14Å; E215-A217 VanDerWaalsContact C-N 3.28Å; E215-A217 PolarHBondContact O-N 2.91Å |
| 218 | S | 54.2 | Low | 67.5 | Low | 81 Ų | 81 | 93.1 Ų | 93.1 | 57% | 0.566 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -95.8 | -11.3 | -179.9 | 70.7 | 0 | 0 | 0 | 0 | 115.1 | L214 E215 | L214-S218 PolarHBondContact O-N 3.49Å; L214-S218 PolarHBondContact O-OG 3.11Å; E215-S218 WeakPolarHBondContact CA-OG 3.44Å; E215-S218 CarbonylContact O-C 3.49Å; E215-S218 WeakPolarHBondContact O-CA 3.4Å; E215-S218 PolarHBondContact O-N 3.34Å; E215-S218 PolarHBondContact O-OG 2.86Å |
| 219 | A | 45 | Very low | 66.8 | Low | 56 Ų | 56 | 93.9 Ų | 93.9 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -50.1 | 127 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | E215 L221 | E215-A219 PolarHBondContact O-N 2.81Å; A219-L221 PolarHBondContact O-N 3.4Å |
| 220 | P | 47.3 | Very low | 66.4 | Low | 118 Ų | 118 | 95.2 Ų | 95.2 | 77% | 0.766 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 118.3 | -179.4 | 23.3 | -32.4 | 0 | 0 | 0 | 106.7 | P222 | P220-P222 WeakPolarHBondContact O-CD 3.4Š|
| 221 | L | 44.9 | Very low | 66 | Low | 157 Ų | 157 | 99.6 Ų | 99.6 | 82% | 0.822 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -46.8 | 119.1 | 168.5 | -81.2 | 162.7 | 0 | 0 | 0 | 105.1 | A219 S223 | A219-L221 PolarHBondContact O-N 3.4Å; L221-S223 PolarHBondContact O-N 2.96Å |
| 222 | P | 47.2 | Very low | 65.7 | Low | 81 Ų | 81 | 100.7 Ų | 100.7 | 53% | 0.526 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 144.8 | 177.9 | 22.1 | -31.9 | 0 | 0 | 0 | 106.5 | P220 Q224 | P220-P222 WeakPolarHBondContact O-CD 3.4Å; P222-Q224 HydrophobicContact CG-CG 4.17Å; P222-Q224 WeakPolarHBondContact O-CG 3.4Å; P222-Q224 PolarHBondContact O-N 3.4Å |
| 223 | S | 49.9 | Very low | 65.5 | Low | 111 Ų | 111 | 102.5 Ų | 102.5 | 78% | 0.776 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -69 | 29.4 | -176.8 | 51.1 | 0 | 0 | 0 | 0 | 113.6 | L221 W225 | L221-S223 PolarHBondContact O-N 2.96Å; S223-W225 VanDerWaalsContact O-CD1 3.26Å; S223-W225 PolarHBondContact O-N 2.04Å |
| 224 | Q | 51.9 | Low | 65.6 | Low | 149 Ų | 149 | 105 Ų | 105 | 70% | 0.696 | 57% | 0.568 | S | S | * | * | trans | -56.3 | 89.4 | 147.7 | 80.1 | -168.5 | -2.1 | 0 | 0 | 108 | P222 S226 | P222-Q224 HydrophobicContact CG-CG 4.17Å; P222-Q224 WeakPolarHBondContact O-CG 3.4Å; P222-Q224 PolarHBondContact O-N 3.4Å; Q224-S226 PolarHBondContact O-N 3.04Å | ||
| 225 | W | 56.9 | Low | 65.9 | Low | 130 Ų | 130 | 110 Ų | 110 | 49% | 0.492 | 59% | 0.588 | S | S | . | * | trans | -44.8 | 130.3 | 152.5 | -65.5 | 77.4 | 0 | 0 | 0 | 107.1 | S223 W227 Q229 Y230 L233 | S223-W225 VanDerWaalsContact O-CD1 3.26Å; S223-W225 PolarHBondContact O-N 2.04Å; W225-W227 PolarHBondContact O-N 2.81Å; W225-Q229 HydrophobicContact CB-CB 4.43Å; W225-Q229 HydrophobicContact CE3-CB 3.95Å; W225-Y230 HydrophobicContact CB-CD2 3.77Å; W225-Y230 HydrophobicContact CB-CE2 3.54Å; W225-Y230 HydrophobicContact CB-CG 4.45Å; W225-Y230 HydrophobicContact CG-CE2 4.27Å; W225-L233 HydrophobicContact CE3-CD1 3.89Å; W225-L233 HydrophobicContact CH2-CD1 4.04Å; W225-L233 HydrophobicContact CZ3-CD1 3.5Å | ||
| 226 | S | 68.2 | Low | 66.7 | Low | 49 Ų | 49 | 107 Ų | 107 | 34% | 0.343 | 58% | 0.579 | S | S | . | * | trans | -59.4 | 147.6 | 177.7 | 76.5 | 0 | 0 | 0 | 0 | 108.4 | Q224 A228 Q229 Y230 | Q224-S226 PolarHBondContact O-N 3.04Å; S226-A228 PolarHBondContact O-N 2.9Å; S226-Q229 WeakPolarHBondContact O-CA 3.44Å; S226-Q229 WeakPolarHBondContact O-CB 3.38Å; S226-Q229 PolarHBondContact O-N 2.82Å; S226-Q229 WeakPolarHBondContact OG-CG 3.03Å; S226-Q229 PolarHBondContact OG-N 3.27Å; S226-Q229 VanDerWaalsContact OG-N 3.16Å; S226-Y230 PolarHBondContact O-N 3.15Å | ||
| 227 | W | 74.2 | Confident | 68.2 | Low | 197 Ų | 197 | 100.3 Ų | 100.3 | 75% | 0.746 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -50.6 | -37.3 | 175.6 | 56.3 | -92.7 | 0 | 0 | 0 | 110.5 | W225 Q229 Y230 F231 | W225-W227 PolarHBondContact O-N 2.81Å; W227-Q229 PolarHBondContact O-N 3.21Å; W227-Y230 WeakPolarHBondContact O-CB 3.45Å; W227-Y230 PolarHBondContact O-N 2.87Å; W227-F231 AromaticContact CE3-CD2 3.85Å; W227-F231 HydrophobicContact CE3-CD2 3.85Å; W227-F231 HydrophobicContact CE3-CE2 4.13Å; W227-F231 WeakPolarHBondContact O-CD2 3.13Å; W227-F231 PolarHBondContact O-N 2.79Å |
| 228 | A | 74.5 | Confident | 69.8 | Low | 47 Ų | 47 | 99 Ų | 99 | 39% | 0.388 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.8 | -35.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S226 G232 | S226-A228 PolarHBondContact O-N 2.9Å; A228-G232 PolarHBondContact O-N 3.25Å |
| 229 | Q | 73.7 | Confident | 71.5 | Confident | 97 Ų | 97 | 99.5 Ų | 99.5 | 45% | 0.453 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.6 | -38.8 | 172.2 | -71.7 | 170.4 | -36.4 | 0 | 0 | 112.1 | W225 S226 W227 G232 L233 | W225-Q229 HydrophobicContact CB-CB 4.43Å; W225-Q229 HydrophobicContact CE3-CB 3.95Å; S226-Q229 WeakPolarHBondContact O-CA 3.44Å; S226-Q229 WeakPolarHBondContact O-CB 3.38Å; S226-Q229 PolarHBondContact O-N 2.82Å; S226-Q229 WeakPolarHBondContact OG-CG 3.03Å; S226-Q229 PolarHBondContact OG-N 3.27Å; S226-Q229 VanDerWaalsContact OG-N 3.16Å; W227-Q229 PolarHBondContact O-N 3.21Å; Q229-G232 PolarHBondContact O-N 3.38Å; Q229-L233 WeakPolarHBondContact O-CB 3.2Å; Q229-L233 PolarHBondContact O-N 2.86Å |
| 230 | Y | 77.7 | Confident | 73.8 | Confident | 135 Ų | 135 | 101.3 Ų | 101.3 | 53% | 0.529 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.1 | -49.8 | 171.5 | -86.3 | -65.3 | 0 | 0 | 0 | 111 | W225 S226 W227 G232 L233 T234 | W225-Y230 HydrophobicContact CB-CD2 3.77Å; W225-Y230 HydrophobicContact CB-CE2 3.54Å; W225-Y230 HydrophobicContact CB-CG 4.45Å; W225-Y230 HydrophobicContact CG-CE2 4.27Å; S226-Y230 PolarHBondContact O-N 3.15Å; W227-Y230 WeakPolarHBondContact O-CB 3.45Å; W227-Y230 PolarHBondContact O-N 2.87Å; Y230-G232 VanDerWaalsContact C-N 3.32Å; Y230-G232 PolarHBondContact O-N 2.87Å; Y230-L233 PolarHBondContact O-N 2.84Å; Y230-T234 WeakPolarHBondContact O-CG2 3.28Å; Y230-T234 PolarHBondContact O-N 2.82Å; Y230-T234 PolarHBondContact O-OG1 2.84Å |
| 231 | F | 80.6 | Confident | 75.9 | Confident | 137 Ų | 137 | 100.6 Ų | 100.6 | 60% | 0.601 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.4 | -41.4 | 175.4 | -81.9 | -71.7 | 0 | 0 | 0 | 112.3 | W227 T234 F235 | W227-F231 AromaticContact CE3-CD2 3.85Å; W227-F231 HydrophobicContact CE3-CD2 3.85Å; W227-F231 HydrophobicContact CE3-CE2 4.13Å; W227-F231 WeakPolarHBondContact O-CD2 3.13Å; W227-F231 PolarHBondContact O-N 2.79Å; F231-T234 WeakPolarHBondContact CA-OG1 2.99Å; F231-T234 PolarHBondContact O-N 2.89Å; F231-T234 PolarHBondContact O-OG1 2.7Å; F231-T234 VanDerWaalsContact O-OG1 3.06Å; F231-F235 WeakPolarHBondContact O-CB 3.33Å; F231-F235 PolarHBondContact O-N 3.31Å |
| 232 | G | 85.4 | Confident | 78.1 | Confident | 35 Ų | 35 | 95.3 Ų | 95.3 | 36% | 0.361 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.6 | -49.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A228 Q229 Y230 F235 V236 | A228-G232 PolarHBondContact O-N 3.25Å; Q229-G232 PolarHBondContact O-N 3.38Å; Y230-G232 VanDerWaalsContact C-N 3.32Å; Y230-G232 PolarHBondContact O-N 2.87Å; G232-F235 PolarHBondContact O-N 2.78Å; G232-V236 WeakPolarHBondContact O-CB 3.35Å; G232-V236 WeakPolarHBondContact O-CG2 3.38Å; G232-V236 PolarHBondContact O-N 3.35Å |
| 233 | L | 85.3 | Confident | 80.2 | Confident | 100 Ų | 100 | 97 Ų | 97 | 52% | 0.524 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 176.8 | -80.8 | 169.7 | 0 | 0 | 0 | 112.4 | W225 Q229 Y230 G237 | W225-L233 HydrophobicContact CE3-CD1 3.89Å; W225-L233 HydrophobicContact CH2-CD1 4.04Å; W225-L233 HydrophobicContact CZ3-CD1 3.5Å; Q229-L233 WeakPolarHBondContact O-CB 3.2Å; Q229-L233 PolarHBondContact O-N 2.86Å; Y230-L233 PolarHBondContact O-N 2.84Å; L233-G237 PolarHBondContact O-N 2.78Å |
| 234 | T | 86.9 | Confident | 82.2 | Confident | 88 Ų | 88 | 95.7 Ų | 95.7 | 54% | 0.54 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68 | -35.8 | 176.8 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | Y230 F231 A238 | Y230-T234 WeakPolarHBondContact O-CG2 3.28Å; Y230-T234 PolarHBondContact O-N 2.82Å; Y230-T234 PolarHBondContact O-OG1 2.84Å; F231-T234 WeakPolarHBondContact CA-OG1 2.99Å; F231-T234 PolarHBondContact O-N 2.89Å; F231-T234 PolarHBondContact O-OG1 2.7Å; F231-T234 VanDerWaalsContact O-OG1 3.06Å; T234-A238 VanDerWaalsContact O-CB 3.23Å; T234-A238 WeakPolarHBondContact O-CB 3.12Å; T234-A238 PolarHBondContact O-N 3.11Å |
| 235 | F | 89.1 | Confident | 84.1 | Confident | 140 Ų | 140 | 93.9 Ų | 93.9 | 61% | 0.614 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.6 | -45.5 | 176.6 | -176.5 | -98.9 | 0 | 0 | 0 | 111.4 | F231 G232 A238 L239 | F231-F235 WeakPolarHBondContact O-CB 3.33Å; F231-F235 PolarHBondContact O-N 3.31Å; G232-F235 PolarHBondContact O-N 2.78Å; F235-A238 PolarHBondContact O-N 3.26Å; F235-L239 HydrophobicContact CD1-CD1 4.12Å; F235-L239 HydrophobicContact CE1-CD1 3.54Å; F235-L239 HydrophobicContact CZ-CD1 4.01Å; F235-L239 WeakPolarHBondContact O-CB 3.18Å; F235-L239 PolarHBondContact O-N 2.9Å |
| 236 | V | 90.8 | Very high | 85.7 | Confident | 78 Ų | 78 | 91.1 Ų | 91.1 | 47% | 0.473 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 174.5 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | G232 A238 L239 I240 | G232-V236 WeakPolarHBondContact O-CB 3.35Å; G232-V236 WeakPolarHBondContact O-CG2 3.38Å; G232-V236 PolarHBondContact O-N 3.35Å; V236-A238 PolarHBondContact O-N 3.12Å; V236-L239 PolarHBondContact O-N 2.88Å; V236-I240 HydrophobicContact CG1-CD1 3.8Å; V236-I240 HydrophobicContact CG1-CG1 4.45Å; V236-I240 VanDerWaalsContact O-CG1 3.29Å; V236-I240 WeakPolarHBondContact O-CG1 3.46Å; V236-I240 PolarHBondContact O-N 2.82Å |
| 237 | G | 89.7 | Confident | 86.9 | Confident | 30 Ų | 30 | 92.9 Ų | 92.9 | 31% | 0.309 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L233 I240 L241 | L233-G237 PolarHBondContact O-N 2.78Å; G237-I240 PolarHBondContact O-N 3.26Å; G237-L241 WeakPolarHBondContact O-CB 3.23Å; G237-L241 WeakPolarHBondContact O-CG 3.07Å; G237-L241 PolarHBondContact O-N 2.78Å |
| 238 | A | 91.9 | Very high | 87.7 | Confident | 63 Ų | 63 | 87.9 Ų | 87.9 | 52% | 0.521 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T234 F235 V236 G242 | T234-A238 VanDerWaalsContact O-CB 3.23Å; T234-A238 WeakPolarHBondContact O-CB 3.12Å; T234-A238 PolarHBondContact O-N 3.11Å; F235-A238 PolarHBondContact O-N 3.26Å; V236-A238 PolarHBondContact O-N 3.12Å; A238-G242 WeakPolarHBondContact O-CA 3.49Å; A238-G242 PolarHBondContact O-N 3.31Å |
| 239 | L | 91.7 | Very high | 88.6 | Confident | 91 Ų | 91 | 91.9 Ų | 91.9 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 173.4 | -107.3 | 169.6 | 0 | 0 | 0 | 112 | F235 V236 G242 L243 | F235-L239 HydrophobicContact CD1-CD1 4.12Å; F235-L239 HydrophobicContact CE1-CD1 3.54Å; F235-L239 HydrophobicContact CZ-CD1 4.01Å; F235-L239 WeakPolarHBondContact O-CB 3.18Å; F235-L239 PolarHBondContact O-N 2.9Å; V236-L239 PolarHBondContact O-N 2.88Å; L239-G242 PolarHBondContact O-N 3.5Å; L239-L243 PolarHBondContact O-N 2.84Å |
| 240 | I | 92.1 | Very high | 89.4 | Confident | 94 Ų | 94 | 92.2 Ų | 92.2 | 48% | 0.482 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -52.6 | 177.1 | -70 | 167.7 | 0 | 0 | 0 | 109.7 | V236 G237 G242 L243 L244 | V236-I240 HydrophobicContact CG1-CD1 3.8Å; V236-I240 HydrophobicContact CG1-CG1 4.45Å; V236-I240 VanDerWaalsContact O-CG1 3.29Å; V236-I240 WeakPolarHBondContact O-CG1 3.46Å; V236-I240 PolarHBondContact O-N 2.82Å; G237-I240 PolarHBondContact O-N 3.26Å; I240-G242 VanDerWaalsContact C-N 3.33Å; I240-G242 PolarHBondContact O-N 2.72Å; I240-L243 PolarHBondContact O-N 3.45Å; I240-L244 HydrophobicContact CG2-CD1 4.1Å; I240-L244 WeakPolarHBondContact O-CB 3.34Å; I240-L244 PolarHBondContact O-N 3.41Å |
| 241 | L | 90.8 | Very high | 90.1 | Very high | 103 Ų | 103 | 89.8 Ų | 89.8 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 178.6 | -71.5 | 171.2 | 0 | 0 | 0 | 112.4 | G237 L243 L244 I245 | G237-L241 WeakPolarHBondContact O-CB 3.23Å; G237-L241 WeakPolarHBondContact O-CG 3.07Å; G237-L241 PolarHBondContact O-N 2.78Å; L241-L243 VanDerWaalsContact C-N 3.25Å; L241-L243 PolarHBondContact O-N 3.41Å; L241-L244 PolarHBondContact O-N 3.1Å; L241-I245 HydrophobicContact CB-CD1 4.46Å; L241-I245 WeakPolarHBondContact O-CB 3.49Å; L241-I245 VanDerWaalsContact O-CG1 3.3Å; L241-I245 WeakPolarHBondContact O-CG1 3.47Å; L241-I245 PolarHBondContact O-N 2.94Å |
| 242 | G | 91.1 | Very high | 90.6 | Very high | 47 Ų | 47 | 87.9 Ų | 87.9 | 49% | 0.485 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.2 | -24.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A238 L239 I240 P246 | A238-G242 WeakPolarHBondContact O-CA 3.49Å; A238-G242 PolarHBondContact O-N 3.31Å; L239-G242 PolarHBondContact O-N 3.5Å; I240-G242 VanDerWaalsContact C-N 3.33Å; I240-G242 PolarHBondContact O-N 2.72Å; G242-P246 WeakPolarHBondContact O-CD 3.39Å; G242-P246 WeakPolarHBondContact O-CG 3.37Å |
| 243 | L | 91.2 | Very high | 90.8 | Very high | 115 Ų | 115 | 90.3 Ų | 90.3 | 60% | 0.602 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -90.7 | -39.3 | 170.5 | -79.4 | 164.6 | 0 | 0 | 0 | 112.7 | L239 I240 L241 P246 V247 | L239-L243 PolarHBondContact O-N 2.84Å; I240-L243 PolarHBondContact O-N 3.45Å; L241-L243 VanDerWaalsContact C-N 3.25Å; L241-L243 PolarHBondContact O-N 3.41Å; L243-P246 WeakPolarHBondContact O-CD 3.21Å; L243-V247 WeakPolarHBondContact O-CB 3.31Å; L243-V247 VanDerWaalsContact O-CG2 3.23Å; L243-V247 WeakPolarHBondContact O-CG2 3.38Å; L243-V247 PolarHBondContact O-N 3.44Å |
| 244 | L | 92.6 | Very high | 90.9 | Very high | 85 Ų | 85 | 90.4 Ų | 90.4 | 45% | 0.445 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.4 | -40 | -176.8 | -122.6 | 163.4 | 0 | 0 | 0 | 112.2 | I240 L241 V247 L248 | I240-L244 HydrophobicContact CG2-CD1 4.1Å; I240-L244 WeakPolarHBondContact O-CB 3.34Å; I240-L244 PolarHBondContact O-N 3.41Å; L241-L244 PolarHBondContact O-N 3.1Å; L244-V247 PolarHBondContact O-N 3.49Å; L244-L248 HydrophobicContact CD2-CD1 3.57Å; L244-L248 HydrophobicContact CD2-CG 3.94Å; L244-L248 VanDerWaalsContact O-CB 3.32Å; L244-L248 WeakPolarHBondContact O-CB 3.05Å; L244-L248 PolarHBondContact O-N 3.47Å |
| 245 | I | 90.9 | Very high | 91 | Very high | 110 Ų | 110 | 93.7 Ų | 93.7 | 56% | 0.564 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65 | -51.5 | -177.7 | -68 | 165.8 | 0 | 0 | 0 | 111.7 | L241 V247 L248 F249 | L241-I245 HydrophobicContact CB-CD1 4.46Å; L241-I245 WeakPolarHBondContact O-CB 3.49Å; L241-I245 VanDerWaalsContact O-CG1 3.3Å; L241-I245 WeakPolarHBondContact O-CG1 3.47Å; L241-I245 PolarHBondContact O-N 2.94Å; I245-V247 PolarHBondContact O-N 2.72Å; I245-L248 PolarHBondContact O-N 2.79Å; I245-F249 WeakPolarHBondContact O-CB 3.29Å; I245-F249 PolarHBondContact O-N 2.84Å |
| 246 | P | 92.2 | Very high | 90.8 | Very high | 73 Ų | 73 | 89.2 Ų | 89.2 | 47% | 0.474 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 175.1 | -25.2 | 35.5 | 0 | 0 | 0 | 113.1 | G242 L243 F249 L250 | G242-P246 WeakPolarHBondContact O-CD 3.39Å; G242-P246 WeakPolarHBondContact O-CG 3.37Å; L243-P246 WeakPolarHBondContact O-CD 3.21Å; P246-F249 PolarHBondContact O-N 3.07Å; P246-L250 WeakPolarHBondContact O-CB 3.43Å; P246-L250 PolarHBondContact O-N 2.86Å |
| 247 | V | 91.7 | Very high | 90.4 | Very high | 86 Ų | 86 | 89.4 Ų | 89.4 | 52% | 0.521 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 179.2 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | L243 L244 I245 F249 L250 V251 | L243-V247 WeakPolarHBondContact O-CB 3.31Å; L243-V247 VanDerWaalsContact O-CG2 3.23Å; L243-V247 WeakPolarHBondContact O-CG2 3.38Å; L243-V247 PolarHBondContact O-N 3.44Å; L244-V247 PolarHBondContact O-N 3.49Å; I245-V247 PolarHBondContact O-N 2.72Å; V247-F249 VanDerWaalsContact C-N 3.34Å; V247-F249 PolarHBondContact O-N 3.13Å; V247-L250 PolarHBondContact O-N 2.88Å; V247-V251 WeakPolarHBondContact O-CG2 3.35Å; V247-V251 PolarHBondContact O-N 3.11Å |
| 248 | L | 92.3 | Very high | 90 | Very high | 91 Ų | 91 | 95.6 Ų | 95.6 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 173.5 | -89.5 | 166.9 | 0 | 0 | 0 | 111.8 | L244 I245 L250 V251 I252 | L244-L248 HydrophobicContact CD2-CD1 3.57Å; L244-L248 HydrophobicContact CD2-CG 3.94Å; L244-L248 VanDerWaalsContact O-CB 3.32Å; L244-L248 WeakPolarHBondContact O-CB 3.05Å; L244-L248 PolarHBondContact O-N 3.47Å; I245-L248 PolarHBondContact O-N 2.79Å; L248-L250 VanDerWaalsContact C-N 3.34Å; L248-L250 PolarHBondContact O-N 3.34Å; L248-V251 PolarHBondContact O-N 3.22Å; L248-I252 WeakPolarHBondContact O-CB 3.38Å; L248-I252 WeakPolarHBondContact O-CD1 3.41Å; L248-I252 VanDerWaalsContact O-CG1 3.23Å; L248-I252 WeakPolarHBondContact O-CG1 3.5Å; L248-I252 PolarHBondContact O-N 3.05Å |
| 249 | F | 92 | Very high | 89.5 | Confident | 131 Ų | 131 | 100.1 Ų | 100.1 | 58% | 0.575 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62 | -42.3 | 177.5 | -170.7 | -104.8 | 0 | 0 | 0 | 111.7 | I245 P246 V247 I252 L253 | I245-F249 WeakPolarHBondContact O-CB 3.29Å; I245-F249 PolarHBondContact O-N 2.84Å; P246-F249 PolarHBondContact O-N 3.07Å; V247-F249 VanDerWaalsContact C-N 3.34Å; V247-F249 PolarHBondContact O-N 3.13Å; F249-I252 PolarHBondContact O-N 3.41Å; F249-L253 HydrophobicContact CD1-CD1 3.83Å; F249-L253 HydrophobicContact CD1-CG 4.36Å; F249-L253 HydrophobicContact CE1-CD1 3.51Å; F249-L253 HydrophobicContact CE1-CG 4.13Å; F249-L253 HydrophobicContact CZ-CD1 4.19Å; F249-L253 HydrophobicContact CZ-CG 4.42Å; F249-L253 WeakPolarHBondContact O-CB 3.31Å; F249-L253 WeakPolarHBondContact O-CG 3.27Å; F249-L253 PolarHBondContact O-N 3.13Å |
| 250 | L | 91.4 | Very high | 88.7 | Confident | 105 Ų | 105 | 104.6 Ų | 104.6 | 55% | 0.55 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 175.4 | -130.5 | 168.1 | 0 | 0 | 0 | 111.7 | P246 V247 L248 L253 I254 | P246-L250 WeakPolarHBondContact O-CB 3.43Å; P246-L250 PolarHBondContact O-N 2.86Å; V247-L250 PolarHBondContact O-N 2.88Å; L248-L250 VanDerWaalsContact C-N 3.34Å; L248-L250 PolarHBondContact O-N 3.34Å; L250-L253 PolarHBondContact O-N 3.28Å; L250-I254 HydrophobicContact CD2-CD1 3.65Å; L250-I254 HydrophobicContact CD2-CG1 4.07Å; L250-I254 WeakPolarHBondContact O-CB 3.49Å; L250-I254 VanDerWaalsContact O-CG1 3.28Å; L250-I254 WeakPolarHBondContact O-CG1 3.37Å; L250-I254 PolarHBondContact O-N 3.33Å |
| 251 | V | 91.8 | Very high | 87.4 | Confident | 84 Ų | 84 | 104.2 Ų | 104.2 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 175 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | V247 L248 I254 W255 | V247-V251 WeakPolarHBondContact O-CG2 3.35Å; V247-V251 PolarHBondContact O-N 3.11Å; L248-V251 PolarHBondContact O-N 3.22Å; V251-I254 PolarHBondContact O-N 3.37Å; V251-W255 VanDerWaalsContact O-CB 3.28Å; V251-W255 WeakPolarHBondContact O-CB 3.26Å; V251-W255 PolarHBondContact O-N 3.17Å |
| 252 | I | 91.2 | Very high | 85.9 | Confident | 97 Ų | 97 | 106.7 Ų | 106.7 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 176 | -69.9 | 164.1 | 0 | 0 | 0 | 110.7 | L248 F249 W255 A256 | L248-I252 WeakPolarHBondContact O-CB 3.38Å; L248-I252 WeakPolarHBondContact O-CD1 3.41Å; L248-I252 VanDerWaalsContact O-CG1 3.23Å; L248-I252 WeakPolarHBondContact O-CG1 3.5Å; L248-I252 PolarHBondContact O-N 3.05Å; F249-I252 PolarHBondContact O-N 3.41Å; I252-W255 PolarHBondContact O-N 3.08Å; I252-A256 VanDerWaalsContact O-CB 3.28Å; I252-A256 WeakPolarHBondContact O-CB 3.28Å; I252-A256 PolarHBondContact O-N 2.04Å |
| 253 | L | 90 | Very high | 84.3 | Confident | 85 Ų | 85 | 108.3 Ų | 108.3 | 45% | 0.445 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 174.2 | -77.2 | 177.8 | 0 | 0 | 0 | 111.9 | F249 L250 W255 A256 C257 | F249-L253 HydrophobicContact CD1-CD1 3.83Å; F249-L253 HydrophobicContact CD1-CG 4.36Å; F249-L253 HydrophobicContact CE1-CD1 3.51Å; F249-L253 HydrophobicContact CE1-CG 4.13Å; F249-L253 HydrophobicContact CZ-CD1 4.19Å; F249-L253 HydrophobicContact CZ-CG 4.42Å; F249-L253 WeakPolarHBondContact O-CB 3.31Å; F249-L253 WeakPolarHBondContact O-CG 3.27Å; F249-L253 PolarHBondContact O-N 3.13Å; L250-L253 PolarHBondContact O-N 3.28Å; L253-W255 VanDerWaalsContact C-N 3.31Å; L253-W255 PolarHBondContact O-N 3.25Å; L253-A256 PolarHBondContact O-N 3.13Å; L253-C257 WeakPolarHBondContact O-CB 3.27Å; L253-C257 PolarHBondContact O-N 2.99Å; L253-C257 PolarHBondContact O-SG 3.06Å; L253-C257 VanDerWaalsContact O-SG 3.34Å |
| 254 | I | 88.1 | Confident | 82.6 | Confident | 103 Ų | 103 | 109.7 Ų | 109.7 | 53% | 0.528 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 175.5 | -71 | 165.6 | 0 | 0 | 0 | 110.4 | L250 V251 R258 | L250-I254 HydrophobicContact CD2-CD1 3.65Å; L250-I254 HydrophobicContact CD2-CG1 4.07Å; L250-I254 WeakPolarHBondContact O-CB 3.49Å; L250-I254 VanDerWaalsContact O-CG1 3.28Å; L250-I254 WeakPolarHBondContact O-CG1 3.37Å; L250-I254 PolarHBondContact O-N 3.33Å; V251-I254 PolarHBondContact O-N 3.37Å; I254-R258 VanDerWaalsContact O-CB 3.22Å; I254-R258 WeakPolarHBondContact O-CB 3.38Å; I254-R258 PolarHBondContact O-N 3.24Å |
| 255 | W | 88.2 | Confident | 80.4 | Confident | 156 Ų | 156 | 110.5 Ų | 110.5 | 59% | 0.591 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.2 | -41.8 | 177.7 | -178.6 | 86.6 | 0 | 0 | 0 | 112.4 | V251 I252 L253 R258 R259 | V251-W255 VanDerWaalsContact O-CB 3.28Å; V251-W255 WeakPolarHBondContact O-CB 3.26Å; V251-W255 PolarHBondContact O-N 3.17Å; I252-W255 PolarHBondContact O-N 3.08Å; L253-W255 VanDerWaalsContact C-N 3.31Å; L253-W255 PolarHBondContact O-N 3.25Å; W255-R258 PolarHBondContact O-N 2.85Å; W255-R259 VanDerWaalsContact O-CB 3.25Å; W255-R259 WeakPolarHBondContact O-CB 3.43Å; W255-R259 PolarHBondContact O-N 2.84Å |
| 256 | A | 84.9 | Confident | 78.2 | Confident | 46 Ų | 46 | 109.3 Ų | 109.3 | 38% | 0.38 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.7 | -45.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I252 L253 R259 R260 | I252-A256 VanDerWaalsContact O-CB 3.28Å; I252-A256 WeakPolarHBondContact O-CB 3.28Å; I252-A256 PolarHBondContact O-N 2.04Å; L253-A256 PolarHBondContact O-N 3.13Å; A256-R259 PolarHBondContact O-N 3.39Å; A256-R260 WeakPolarHBondContact O-CB 3.27Å; A256-R260 PolarHBondContact O-N 2.84Å |
| 257 | C | 83.3 | Confident | 75.8 | Confident | 83 Ų | 83 | 113.8 Ų | 113.8 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.4 | -46 | 173.7 | -73.7 | 0 | 0 | 0 | 0 | 111.6 | L253 R260 H261 | L253-C257 WeakPolarHBondContact O-CB 3.27Å; L253-C257 PolarHBondContact O-N 2.99Å; L253-C257 PolarHBondContact O-SG 3.06Å; L253-C257 VanDerWaalsContact O-SG 3.34Å; C257-R260 PolarHBondContact O-N 2.9Å; C257-H261 PolarHBondContact O-N 2.89Å |
| 258 | R | 81.1 | Confident | 73.4 | Confident | 159 Ų | 159 | 118.7 Ų | 118.7 | 60% | 0.6 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.8 | -41.2 | 177.2 | -174.6 | 173.9 | 175.1 | 177.2 | -0.1 | 112.1 | I254 W255 R260 H261 H262 | I254-R258 VanDerWaalsContact O-CB 3.22Å; I254-R258 WeakPolarHBondContact O-CB 3.38Å; I254-R258 PolarHBondContact O-N 3.24Å; W255-R258 PolarHBondContact O-N 2.85Å; R258-R260 VanDerWaalsContact C-N 3.35Å; R258-H261 PolarHBondContact O-N 2.84Å; R258-H262 PolarHBondContact O-CD2 3.41Å; R258-H262 PolarHBondContact O-N 3.29Å |
| 259 | R | 81.3 | Confident | 71.2 | Confident | 159 Ų | 159 | 118.2 Ų | 118.2 | 60% | 0.6 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65 | -37.7 | 175.4 | -170.9 | 172.5 | -176.3 | 172.3 | 0.7 | 111.6 | W255 A256 H262 A263 | W255-R259 VanDerWaalsContact O-CB 3.25Å; W255-R259 WeakPolarHBondContact O-CB 3.43Å; W255-R259 PolarHBondContact O-N 2.84Å; A256-R259 PolarHBondContact O-N 3.39Å; R259-H262 PolarHBondContact O-N 3.11Å; R259-A263 WeakPolarHBondContact O-CB 3.2Å; R259-A263 PolarHBondContact O-N 2.83Å; R259-A263 VanDerWaalsContact O-N 3.08Å |
| 260 | R | 75.1 | Confident | 68.9 | Low | 185 Ų | 185 | 118.5 Ų | 118.5 | 70% | 0.698 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.4 | -37.6 | 173.7 | -160.8 | 173.7 | -170.7 | 169.7 | 3.2 | 112 | A256 C257 R258 A263 M264 | A256-R260 WeakPolarHBondContact O-CB 3.27Å; A256-R260 PolarHBondContact O-N 2.84Å; C257-R260 PolarHBondContact O-N 2.9Å; R258-R260 VanDerWaalsContact C-N 3.35Å; R260-A263 PolarHBondContact O-N 3.23Å; R260-M264 PolarHBondContact O-N 3.47Å |
| 261 | H | 63.5 | Low | 66.5 | Low | 85 Ų | 85 | 119 Ų | 119 | 39% | 0.394 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.2 | -43.2 | 172.8 | -121.6 | -73.7 | 0 | 0 | 0 | 112.3 | C257 R258 A263 M264 H265 F274 | C257-H261 PolarHBondContact O-N 2.89Å; R258-H261 PolarHBondContact O-N 2.84Å; H261-A263 VanDerWaalsContact C-N 3.25Å; H261-A263 PolarHBondContact O-N 2.86Å; H261-M264 PolarHBondContact O-N 3.33Å; H261-H265 AromaticContact CE1-CD2 3.55Å; H261-H265 AromaticContact CE1-NE2 3.6Å; H261-H265 AromaticContact ND1-CD2 3.32Å; H261-H265 PolarHBondContact ND1-CD2 2.87Å; H261-H265 VanDerWaalsContact ND1-CD2 3.32Å; H261-H265 AromaticContact ND1-NE2 3.88Å; H261-H265 PolarHBondContact O-N 2.98Å; H261-H265 VanDerWaalsContact O-N 3.13Å; H261-F274 AromaticContact CD2-CZ 3.88Å |
| 262 | H | 60.8 | Low | 64.2 | Low | 155 Ų | 155 | 122.8 Ų | 122.8 | 72% | 0.718 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.8 | -26 | 173.8 | -74.3 | -58.7 | 0 | 0 | 0 | 113.4 | R258 R259 | R258-H262 PolarHBondContact O-CD2 3.41Å; R258-H262 PolarHBondContact O-N 3.29Å; R259-H262 PolarHBondContact O-N 3.11Å |
| 263 | A | 57.6 | Low | 62.2 | Low | 82 Ų | 82 | 123.5 Ų | 123.5 | 68% | 0.678 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -83.9 | -14.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R259 R260 H261 | R259-A263 WeakPolarHBondContact O-CB 3.2Å; R259-A263 PolarHBondContact O-N 2.83Å; R259-A263 VanDerWaalsContact O-N 3.08Å; R260-A263 PolarHBondContact O-N 3.23Å; H261-A263 VanDerWaalsContact C-N 3.25Å; H261-A263 PolarHBondContact O-N 2.86Å |
| 264 | M | 55.7 | Low | 60.2 | Low | 143 Ų | 143 | 127 Ų | 127 | 70% | 0.704 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -121.3 | -6 | -174.3 | -72.6 | -161.4 | 162.4 | 0 | 0 | 115.7 | R260 H261 | R260-M264 PolarHBondContact O-N 3.47Å; H261-M264 PolarHBondContact O-N 3.33Å |
| 265 | H | 46.3 | Very low | 58.2 | Low | 102 Ų | 102 | 126 Ų | 126 | 47% | 0.472 | 63% | 0.63 | S | S | . | * | trans | -111.4 | 122.9 | 174.4 | -76.5 | -85.7 | 0 | 0 | 0 | 112.5 | H261 | H261-H265 AromaticContact CE1-CD2 3.55Å; H261-H265 AromaticContact CE1-NE2 3.6Å; H261-H265 AromaticContact ND1-CD2 3.32Å; H261-H265 PolarHBondContact ND1-CD2 2.87Å; H261-H265 VanDerWaalsContact ND1-CD2 3.32Å; H261-H265 AromaticContact ND1-NE2 3.88Å; H261-H265 PolarHBondContact O-N 2.98Å; H261-H265 VanDerWaalsContact O-N 3.13Å | ||
| 266 | S | 44.5 | Very low | 56.4 | Low | 86 Ų | 86 | 122.4 Ų | 122.4 | 60% | 0.601 | 63% | 0.625 | S | S | * | * | trans | -60.8 | 169.4 | 171.4 | 57.9 | 0 | 0 | 0 | 0 | 112 | Y268 | S266-Y268 PolarHBondContact O-N 2.88Š| ||
| 267 | N | 41.4 | Very low | 54.7 | Low | 166 Ų | 166 | 124.8 Ų | 124.8 | 89% | 0.888 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 32.1 | -175.5 | -73.7 | -28.6 | 0 | 0 | 0 | 116.2 | ||
| 268 | Y | 42.3 | Very low | 53 | Low | 189 Ų | 189 | 126.4 Ų | 126.4 | 74% | 0.741 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | -0.7 | -173.3 | -126 | -91.9 | 0 | 0 | 0 | 115.9 | S266 | S266-Y268 PolarHBondContact O-N 2.88Š|
| 269 | T | 45.7 | Very low | 51.3 | Low | 81 Ų | 81 | 128.2 Ų | 128.2 | 50% | 0.497 | 64% | 0.641 | S | S | . | * | trans | -116.5 | 67.4 | 173.8 | 61.2 | 0 | 0 | 0 | 0 | 111.9 | L273 | T269-L273 HydrophobicContact CG2-CD1 3.99Š| ||
| 270 | N | 44 | Very low | 49.5 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 74% | 0.738 | 65% | 0.647 | S | S | * | * | trans | -62.8 | 139.2 | 161.8 | -82.6 | -57.3 | 0 | 0 | 0 | 110.7 | K272 | N270-K272 PolarHBondContact O-N 3.32Š| ||
| 271 | S | 40.8 | Very low | 48 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 80% | 0.797 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 57.2 | 7.4 | 147 | 60 | 0 | 0 | 0 | 0 | 122.9 | ||
| 272 | K | 43.9 | Very low | 47.6 | Very low | 165 Ų | 165 | 133 Ų | 133 | 72% | 0.717 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -130.9 | -6.7 | 180 | -87.9 | -168.8 | 175.6 | -177.1 | 0 | 121.1 | N270 T276 | N270-K272 PolarHBondContact O-N 3.32Å; K272-T276 PolarHBondContact O-OG1 2.84Å |
| 273 | L | 48.9 | Very low | 46.8 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 59% | 0.586 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -104.5 | 1.5 | -167.5 | -73.8 | 171.6 | 0 | 0 | 0 | 117.7 | T269 | T269-L273 HydrophobicContact CG2-CD1 3.99Š|
| 274 | F | 46.9 | Very low | 45.8 | Very low | 158 Ų | 158 | 126 Ų | 126 | 69% | 0.693 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -122.2 | -6 | 179.8 | -87.1 | -79.2 | 0 | 0 | 0 | 116.1 | H261 | H261-F274 AromaticContact CD2-CZ 3.88Š|
| 275 | S | 46.6 | Very low | 45.1 | Very low | 81 Ų | 81 | 129.5 Ų | 129.5 | 57% | 0.566 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -102.1 | -22.5 | 179.7 | 49.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 276 | T | 49.4 | Very low | 45 | Very low | 81 Ų | 81 | 132 Ų | 132 | 50% | 0.497 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -97.7 | -31.4 | -171.7 | 46.5 | 0 | 0 | 0 | 0 | 114.4 | K272 Y280 | K272-T276 PolarHBondContact O-OG1 2.84Å; T276-Y280 PolarHBondContact O-N 2.88Å |
| 277 | N | 50.1 | Low | 44.8 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 52% | 0.519 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -81.6 | -22.8 | -177.7 | -96.1 | -25.2 | 0 | 0 | 0 | 114.8 | Y280 Y281 | N277-Y280 PolarHBondContact O-N 3.28Å; N277-Y281 PolarHBondContact O-N 2.96Å |
| 278 | L | 46.6 | Very low | 44.8 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 61% | 0.607 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -72.9 | -35.3 | 175.4 | -159.2 | 78.9 | 0 | 0 | 0 | 111.4 | Y280 Y281 I282 | L278-Y280 VanDerWaalsContact C-N 3.35Å; L278-Y281 PolarHBondContact O-N 3.36Å; L278-I282 HydrophobicContact CD1-CD1 4.13Å; L278-I282 HydrophobicContact CD2-CD1 4.12Å; L278-I282 HydrophobicContact CG-CD1 3.79Å; L278-I282 HydrophobicContact CG-CG1 4.44Å; L278-I282 WeakPolarHBondContact O-CB 3.46Å; L278-I282 WeakPolarHBondContact O-CG1 3.44Å; L278-I282 PolarHBondContact O-N 2.98Å |
| 279 | W | 45.7 | Very low | 44.6 | Very low | 197 Ų | 197 | 129.5 Ų | 129.5 | 75% | 0.746 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -65 | -38.6 | 170.6 | -89.7 | 85.2 | 0 | 0 | 0 | 111.8 | Y281 I282 G283 | W279-Y281 PolarHBondContact O-N 3.41Å; W279-I282 PolarHBondContact O-N 3.49Å; W279-G283 CarbonylContact O-C 3.52Å; W279-G283 VanDerWaalsContact O-C 3.3Å; W279-G283 WeakPolarHBondContact O-CA 3.49Å; W279-G283 PolarHBondContact O-N 3.32Å |
| 280 | Y | 44.6 | Very low | 44.2 | Very low | 186 Ų | 186 | 132.7 Ų | 132.7 | 73% | 0.729 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -62.8 | -25.4 | 173.9 | -115.2 | -91 | 0 | 0 | 0 | 114.2 | T276 N277 L278 | T276-Y280 PolarHBondContact O-N 2.88Å; N277-Y280 PolarHBondContact O-N 3.28Å; L278-Y280 VanDerWaalsContact C-N 3.35Å |
| 281 | Y | 43.1 | Very low | 44 | Very low | 204 Ų | 204 | 131.1 Ų | 131.1 | 80% | 0.8 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -99.5 | -10.8 | 178.9 | -96.3 | -91.7 | 0 | 0 | 0 | 115.2 | N277 L278 W279 | N277-Y281 PolarHBondContact O-N 2.96Å; L278-Y281 PolarHBondContact O-N 3.36Å; W279-Y281 PolarHBondContact O-N 3.41Å |
| 282 | I | 55.6 | Low | 44.1 | Very low | 139 Ų | 139 | 133 Ų | 133 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -121.3 | -16.4 | -178.1 | -60.6 | -176.6 | 0 | 0 | 0 | 112 | L278 W279 | L278-I282 HydrophobicContact CD1-CD1 4.13Å; L278-I282 HydrophobicContact CD2-CD1 4.12Å; L278-I282 HydrophobicContact CG-CD1 3.79Å; L278-I282 HydrophobicContact CG-CG1 4.44Å; L278-I282 WeakPolarHBondContact O-CB 3.46Å; L278-I282 WeakPolarHBondContact O-CG1 3.44Å; L278-I282 PolarHBondContact O-N 2.98Å; W279-I282 PolarHBondContact O-N 3.49Å |
| 283 | G | 44.2 | Very low | 43.6 | Very low | 49 Ų | 49 | 128.7 Ų | 128.7 | 51% | 0.505 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -144.6 | 63.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | W279 | W279-G283 CarbonylContact O-C 3.52Å; W279-G283 VanDerWaalsContact O-C 3.3Å; W279-G283 WeakPolarHBondContact O-CA 3.49Å; W279-G283 PolarHBondContact O-N 3.32Å |
| 284 | G | 35.4 | Very low | 42.9 | Very low | 43 Ų | 43 | 132.9 Ų | 132.9 | 44% | 0.443 | 70% | 0.696 | S | S | . | * | trans | -126.2 | 51.6 | -174 | 0 | 0 | 0 | 0 | 0 | 113.9 | E286 | G284-E286 PolarHBondContact O-N 2.88Š| ||
| 285 | K | 41.9 | Very low | 42.4 | Very low | 216 Ų | 216 | 136.7 Ų | 136.7 | 94% | 0.939 | 71% | 0.705 | S | S | * | * | trans | -72.8 | 119.3 | 159.2 | -172.8 | 174.6 | -179.7 | 178.7 | 0 | 107.2 | ||||
| 286 | E | 43.4 | Very low | 41.8 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 72% | 0.715 | 72% | 0.715 | S | S | * | * | trans | -82.1 | 172.4 | -162.4 | -47.3 | 176.6 | -179.7 | 0 | 0 | 113.7 | G284 | G284-E286 PolarHBondContact O-N 2.88Š| ||
| 287 | I | 40.1 | Very low | 41 | Very low | 145 Ų | 145 | 138 Ų | 138 | 74% | 0.744 | 73% | 0.73 | S | S | * | * | trans | 76.4 | 133.3 | 161.7 | -47.9 | 139.1 | 0 | 0 | 0 | 112.2 | ||||
| 288 | C | 41 | Very low | 40.5 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | cis | -135.5 | 153.3 | 24.4 | -15.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 289 | D | 38.4 | Very low | 39.9 | Very low | 143 Ų | 143 | 137.3 Ų | 137.3 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | trans | 56.3 | 104.5 | 136.7 | -48.4 | -24.8 | 0 | 0 | 0 | 121.1 | ||||
| 290 | D | 37.1 | Very low | 39.3 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | -146.6 | 90.6 | 128 | -155.9 | -6.5 | 0 | 0 | 0 | 112 | N292 | D290-N292 PolarHBondContact O-N 3.16Å; D290-N292 VanDerWaalsContact O-N 3.14Å | |||
| 291 | P | 40.7 | Very low | 38.8 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 76.5 | -178.2 | 35.1 | -33.3 | 0 | 0 | 0 | 111.1 | ||
| 292 | N | 41.7 | Very low | 38.3 | Very low | 153 Ų | 153 | 136 Ų | 136 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -172 | 6.1 | 158.2 | -93.3 | -36 | 0 | 0 | 0 | 115.8 | D290 F294 | D290-N292 PolarHBondContact O-N 3.16Å; D290-N292 VanDerWaalsContact O-N 3.14Å; N292-F294 PolarHBondContact O-N 3.49Å |
| 293 | G | 34.6 | Very low | 37.2 | Very low | 75 Ų | 75 | 134.5 Ų | 134.5 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -71.8 | 70.9 | -174 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 294 | F | 34.8 | Very low | 36.9 | Very low | 200 Ų | 200 | 141.2 Ų | 141.2 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | 36.6 | 116.8 | 155.9 | -96.9 | -98.4 | 0 | 0 | 0 | 121.1 | N292 G296 | N292-F294 PolarHBondContact O-N 3.49Å; F294-G296 PolarHBondContact O-N 3.34Å | ||
| 295 | R | 36.3 | Very low | 36.9 | Very low | 237 Ų | 237 | 145.9 Ų | 145.9 | 89% | 0.894 | 78% | 0.782 | S | S | * | * | trans | -58.2 | 129.4 | 162.4 | -68.6 | 177.2 | 169.2 | -155.8 | -2.4 | 112 | ||||
| 296 | G | 33.9 | Very low | 36.6 | Very low | 75 Ų | 75 | 143.3 Ų | 143.3 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -123.1 | 72.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F294 S298 | F294-G296 PolarHBondContact O-N 3.34Å; G296-S298 PolarHBondContact O-N 3.04Å | ||
| 297 | S | 32.6 | Very low | 36.3 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -85.6 | 107.4 | 175.3 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 298 | S | 38.2 | Very low | 36 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | -135.8 | 92.9 | 172.3 | -56.9 | 0 | 0 | 0 | 0 | 107.4 | G296 | G296-S298 PolarHBondContact O-N 3.04Š| ||
| 299 | S | 34.7 | Very low | 35.9 | Very low | 92 Ų | 92 | 141.9 Ų | 141.9 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | 89.5 | 141.9 | 77.1 | 71.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 300 | M | 34 | Very low | 35.9 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | 73.5 | 105.1 | 173.2 | -55.1 | -164 | -88.4 | 0 | 0 | 118.7 | ||||
| 301 | L | 33.8 | Very low | 36 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | -146.2 | 158.6 | 105.2 | -106.9 | 174.5 | 0 | 0 | 0 | 111.5 | |||||
| 302 | R | 32.8 | Very low | 35.9 | Very low | 228 Ų | 228 | 139.8 Ų | 139.8 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -123.7 | 156.4 | -157.7 | -175.8 | -176.8 | -178 | -171.1 | 2.3 | 111 | ||||
| 303 | S | 31.5 | Very low | 35.6 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 79.9 | 111.5 | 163.8 | 79.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 304 | K | 38 | Very low | 35.9 | Very low | 191 Ų | 191 | 138 Ų | 138 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | -177.9 | 148.1 | 109.2 | -89.2 | 171 | -175 | -178.4 | 0 | 105.2 | |||||
| 305 | Q | 35.3 | Very low | 36.1 | Very low | 140 Ų | 140 | 135 Ų | 135 | 65% | 0.654 | 77% | 0.773 | S | S | * | * | cis | 178.2 | 152.5 | -7.4 | -168.6 | 173.2 | -25.3 | 0 | 0 | 102.6 | ||||
| 306 | F | 36.3 | Very low | 36.2 | Very low | 162 Ų | 162 | 130.7 Ų | 130.7 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | 75.8 | 113.9 | 174.9 | -63 | -75.3 | 0 | 0 | 0 | 121.5 | ||||
| 307 | N | 36.6 | Very low | 36.4 | Very low | 137 Ų | 137 | 134.4 Ų | 134.4 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | 61.6 | 114.3 | 127 | -63.2 | 6.1 | 0 | 0 | 0 | 123.6 | |||||
| 308 | S | 34.8 | Very low | 36.5 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 88.8 | 140.3 | 135.6 | -58.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 309 | P | 36.9 | Very low | 36.1 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | -105 | -175.3 | -166.4 | 42.5 | -36.9 | 0 | 0 | 0 | 114.4 | ||||
| 310 | S | 38.6 | Very low | 36 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | 85 | 137.3 | 177.6 | 78.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 311 | A | 39.2 | Very low | 36 | Very low | 82 Ų | 82 | 127.2 Ų | 127.2 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | cis | -159.9 | 159.8 | -12.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 312 | T | 39.9 | Very low | 35.9 | Very low | 149 Ų | 149 | 122.1 Ų | 122.1 | 91% | 0.914 | 77% | 0.774 | S | S | * | * | trans | 43.3 | 128.6 | 147.1 | 50.2 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 313 | G | 35.8 | Very low | 35.9 | Very low | 61 Ų | 61 | 120.1 Ų | 120.1 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | 140.9 | 104.5 | 147.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 314 | T | 39.2 | Very low | 36.1 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | 56.9 | 133.6 | 62.6 | 72.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 315 | L | 39.9 | Very low | 35.9 | Very low | 137 Ų | 137 | 120.8 Ų | 120.8 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | cis | -175.5 | 157.9 | -0.3 | -108.3 | 170.5 | 0 | 0 | 0 | 107.9 | ||||
| 316 | L | 38 | Very low | 35.9 | Very low | 146 Ų | 146 | 122.2 Ų | 122.2 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | 66.1 | 161.3 | 145.2 | -66.7 | 168.8 | 0 | 0 | 0 | 119.2 | ||||
| 317 | N | 37.5 | Very low | 35.7 | Very low | 152 Ų | 152 | 121.6 Ų | 121.6 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | cis | -173.6 | 158.1 | -16.9 | 174 | 38.7 | 0 | 0 | 0 | 110.9 | ||||
| 318 | G | 35.1 | Very low | 35.6 | Very low | 69 Ų | 69 | 120.7 Ų | 120.7 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 85.5 | 147.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 319 | G | 30.9 | Very low | 35.5 | Very low | 80 Ų | 80 | 122.9 Ų | 122.9 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | cis | 148.3 | 126.5 | -7.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 320 | G | 32.9 | Very low | 35.5 | Very low | 88 Ų | 88 | 121.3 Ų | 121.3 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | trans | 83.3 | 145.9 | 173 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 321 | G | 32.1 | Very low | 35.3 | Very low | 84 Ų | 84 | 122.8 Ų | 122.8 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | cis | 161.7 | 156.2 | -7.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 322 | G | 32 | Very low | 35.2 | Very low | 66 Ų | 66 | 125.3 Ų | 125.3 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | trans | 112.1 | 115.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 323 | H | 33.7 | Very low | 35.2 | Very low | 187 Ų | 187 | 126.6 Ų | 126.6 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | trans | 57.3 | 112.4 | 137.5 | -58.9 | -83.1 | 0 | 0 | 0 | 121.4 | ||||
| 324 | H | 36.2 | Very low | 35.2 | Very low | 176 Ų | 176 | 130.7 Ų | 130.7 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | 159.1 | 149.4 | 83.5 | -161.2 | -89.1 | 0 | 0 | 0 | 110.9 | |||||
| 325 | L | 33.9 | Very low | 35.2 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 71% | 0.712 | 80% | 0.803 | S | S | * | * | trans | -85.4 | 148.5 | 178.9 | -59.8 | 124.4 | 0 | 0 | 0 | 111.8 | ||||
| 326 | M | 35.5 | Very low | 35.1 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 83% | 0.833 | 80% | 0.804 | S | S | * | * | 162.6 | 156.7 | 104.3 | -88.9 | -145.5 | 153.1 | 0 | 0 | 114.3 | |||||
| 327 | L | 31.8 | Very low | 34.9 | Very low | 149 Ų | 149 | 132 Ų | 132 | 78% | 0.78 | 81% | 0.808 | S | S | * | * | trans | -57.1 | 149.7 | -173.8 | -62.6 | 65.6 | 0 | 0 | 0 | 114.7 | ||||
| 328 | S | 33.4 | Very low | 35 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | -155.5 | 144.3 | 127.8 | 47.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 329 | N | 32.1 | Very low | 35.2 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -78.5 | 147.9 | 178.1 | -61.7 | -28 | 0 | 0 | 0 | 110.9 | ||||
| 330 | A | 37.2 | Very low | 35.9 | Very low | 85 Ų | 85 | 135.6 Ų | 135.6 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | trans | -154.6 | 161.9 | 153.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 331 | D | 35.6 | Very low | 36.2 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | 75.4 | 62.3 | 161.7 | -51 | -17.9 | 0 | 0 | 0 | 118.2 | ||||
| 332 | V | 37.5 | Very low | 36.5 | Very low | 135 Ų | 135 | 137 Ų | 137 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -81 | 131.4 | 144.9 | 175.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 333 | M | 39.4 | Very low | 36.8 | Very low | 176 Ų | 176 | 136.8 Ų | 136.8 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -118.1 | 117.7 | 173.8 | -75.1 | -75.6 | -81.8 | 0 | 0 | 110.2 | ||||
| 334 | D | 35.6 | Very low | 36.8 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -69.4 | 152.9 | 175 | -72.4 | -48.9 | 0 | 0 | 0 | 112.9 | ||||
| 335 | L | 39.2 | Very low | 36.8 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | trans | -161.8 | 156.4 | 148.1 | -121.7 | 80.1 | 0 | 0 | 0 | 107.6 | ||||
| 336 | P | 37.9 | Very low | 36.9 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | -121.2 | 175.6 | -118.8 | 22 | 1.1 | 0 | 0 | 0 | 115.7 | |||||
| 337 | D | 33.9 | Very low | 36.8 | Very low | 157 Ų | 157 | 132 Ų | 132 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -54.8 | 142.2 | -177.5 | -72.7 | -52.3 | 0 | 0 | 0 | 115.8 | ||||
| 338 | V | 39.4 | Very low | 36.8 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | -115.3 | 105.2 | 162.2 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 339 | V | 40 | Very low | 36.7 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | trans | -76.3 | 121.9 | 177.6 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 340 | V | 45.7 | Very low | 36.5 | Very low | 119 Ų | 119 | 137 Ų | 137 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | trans | -107.1 | 112.9 | 167.7 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 341 | P | 38.6 | Very low | 36.5 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 133.9 | 176.6 | -16.2 | 30.4 | 0 | 0 | 0 | 112 | ||
| 342 | G | 38.5 | Very low | 36.2 | Very low | 83 Ų | 83 | 133.4 Ų | 133.4 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103 | -0.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | R344 | G342-R344 PolarHBondContact O-N 3.47Š|
| 343 | G | 37.3 | Very low | 36 | Very low | 61 Ų | 61 | 134.3 Ų | 134.3 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | trans | -76.3 | 104.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | V345 | G343-V345 PolarHBondContact O-N 3.25Å; G343-V345 VanDerWaalsContact O-N 3.12Å | ||
| 344 | R | 33.4 | Very low | 35.7 | Very low | 237 Ų | 237 | 131.4 Ų | 131.4 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | trans | -75.2 | 95.4 | 166.1 | -164.9 | -175.1 | -160.7 | -165.2 | 6.8 | 109.3 | G342 V346 | G342-R344 PolarHBondContact O-N 3.47Å; R344-V346 PolarHBondContact O-N 3.33Å | ||
| 345 | V | 36.6 | Very low | 35.7 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -69.4 | 119.1 | 176.1 | -173.3 | 0 | 0 | 0 | 0 | 109.5 | G343 | G343-V345 PolarHBondContact O-N 3.25Å; G343-V345 VanDerWaalsContact O-N 3.12Å | ||
| 346 | V | 35.9 | Very low | 35.2 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 65% | 0.648 | 78% | 0.775 | S | S | * | * | trans | -117.6 | 114.2 | 162.4 | -170.4 | 0 | 0 | 0 | 0 | 106.3 | R344 F348 | R344-V346 PolarHBondContact O-N 3.33Å; V346-F348 PolarHBondContact O-N 3.49Å | ||
| 347 | A | 33 | Very low | 35 | Very low | 88 Ų | 88 | 126.9 Ų | 126.9 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -70.6 | 121.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | N349 | A347-N349 PolarHBondContact O-N 3.1Å; A347-N349 VanDerWaalsContact O-N 3.15Å | ||
| 348 | F | 33.3 | Very low | 34.9 | Very low | 180 Ų | 180 | 126.5 Ų | 126.5 | 79% | 0.789 | 78% | 0.775 | S | S | * | * | trans | -77.7 | 93.1 | 165.6 | -70 | -81.4 | 0 | 0 | 0 | 108.8 | V346 Y350 | V346-F348 PolarHBondContact O-N 3.49Å; F348-Y350 HydrophobicContact CB-CD2 4.19Å; F348-Y350 HydrophobicContact CB-CE2 4.09Å; F348-Y350 PolarHBondContact O-N 3.46Å; F348-Y350 VanDerWaalsContact O-N 3.08Å | ||
| 349 | N | 31.6 | Very low | 34.4 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -74.6 | 97.3 | 171.1 | -168.8 | 15 | 0 | 0 | 0 | 109.6 | A347 S351 | A347-N349 PolarHBondContact O-N 3.1Å; A347-N349 VanDerWaalsContact O-N 3.15Å; N349-S351 PolarHBondContact O-N 3.02Å | ||
| 350 | Y | 27.4 | Very low | 34.2 | Very low | 214 Ų | 214 | 128.5 Ų | 128.5 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | -77.9 | 96.9 | 170.1 | -84.8 | -93 | 0 | 0 | 0 | 110 | F348 | F348-Y350 HydrophobicContact CB-CD2 4.19Å; F348-Y350 HydrophobicContact CB-CE2 4.09Å; F348-Y350 PolarHBondContact O-N 3.46Å; F348-Y350 VanDerWaalsContact O-N 3.08Å | ||
| 351 | S | 35.8 | Very low | 33.6 | Very low | 92 Ų | 92 | 133.6 Ų | 133.6 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | trans | -134.6 | 105.1 | 161.6 | 61.7 | 0 | 0 | 0 | 0 | 109.7 | N349 | N349-S351 PolarHBondContact O-N 3.02Š| ||
| 352 | G | 30.3 | Very low | 33.4 | Very low | 70 Ų | 70 | 136.6 Ų | 136.6 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -75.2 | -176.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 353 | N | 32.5 | Very low | 33.2 | Very low | 153 Ų | 153 | 139 Ų | 139 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 73 | 96.4 | -173.1 | -61 | -5.7 | 0 | 0 | 0 | 113.3 | ||||
| 354 | T | 33.7 | Very low | 33.2 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 71% | 0.712 | 79% | 0.789 | S | S | * | * | 70.1 | 124 | 76.2 | 64.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 355 | L | 34.8 | Very low | 33.5 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | 74.4 | 92.1 | 153.3 | -64.9 | 160.5 | 0 | 0 | 0 | 119.1 | ||||
| 356 | G | 30.2 | Very low | 33.4 | Very low | 85 Ų | 85 | 138.3 Ų | 138.3 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | trans | 85.7 | 161.9 | 130 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 357 | G | 32.5 | Very low | 33.3 | Very low | 77 Ų | 77 | 138 Ų | 138 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | 111.2 | 80.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 358 | N | 32.4 | Very low | 33.3 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 8 | 125.7 | 145.1 | -66.6 | -9.9 | 0 | 0 | 0 | 120 | ||||
| 359 | T | 28.9 | Very low | 33.3 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 47.9 | 118.5 | 133.2 | 66 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 360 | L | 36.7 | Very low | 33.3 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | trans | -151.2 | 131.9 | 136.8 | -108.1 | 162.4 | 0 | 0 | 0 | 110.7 | ||||
| 361 | R | 32 | Very low | 33.5 | Very low | 226 Ų | 226 | 133.9 Ų | 133.9 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -91.2 | 138.6 | 179 | -80.3 | 169.8 | 151.6 | -178.3 | -6.5 | 110.7 | ||||
| 362 | H | 35.5 | Very low | 33.2 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -151.2 | 104 | 144.6 | -78.5 | -80.2 | 0 | 0 | 0 | 105.9 | ||||
| 363 | N | 32.8 | Very low | 33.2 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | 69.5 | 93.7 | 51.4 | -167.4 | 27 | 0 | 0 | 0 | 115 | |||||
| 364 | H | 38.3 | Very low | 33.3 | Very low | 158 Ų | 158 | 141 Ų | 141 | 73% | 0.731 | 78% | 0.778 | S | S | * | * | trans | -160.7 | 124.4 | 136.3 | -123.1 | 27.8 | 0 | 0 | 0 | 115.3 | ||||
| 365 | N | 39 | Very low | 33.3 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 58% | 0.578 | 78% | 0.781 | S | S | * | * | trans | 69.3 | 110.8 | 137.8 | -59 | -1 | 0 | 0 | 0 | 124.6 | ||||
| 366 | N | 34.1 | Very low | 33.3 | Very low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | 124.5 | 100.9 | 129.8 | -77.7 | 1.8 | 0 | 0 | 0 | 113.2 | |||||
| 367 | A | 34.4 | Very low | 33.5 | Very low | 99 Ų | 99 | 142 Ų | 142 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | 68.7 | 119.1 | 62.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 368 | G | 33.5 | Very low | 33.7 | Very low | 66 Ų | 66 | 141.8 Ų | 141.8 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | cis | 175.4 | -179.7 | -6.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 369 | Y | 33.9 | Very low | 34 | Very low | 217 Ų | 217 | 143.2 Ų | 143.2 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | 60.6 | 101.7 | 152.4 | -68.6 | -80.9 | 0 | 0 | 0 | 123.8 | ||||
| 370 | T | 30 | Very low | 34.3 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | 44.9 | 142.5 | 118.6 | 60.5 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 371 | N | 31.8 | Very low | 34.1 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | 114.5 | 111.3 | 141.5 | -88.5 | -16.5 | 0 | 0 | 0 | 121.1 | ||||
| 372 | T | 29.3 | Very low | 34.1 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 64% | 0.638 | 74% | 0.742 | S | S | * | * | trans | 37.4 | 135 | 132.4 | 60 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 373 | N | 30.6 | Very low | 34 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | trans | 70.8 | 118.5 | 152.9 | -57 | -20.2 | 0 | 0 | 0 | 118.2 | ||||
| 374 | Y | 34.7 | Very low | 33.8 | Very low | 228 Ų | 228 | 136.3 Ų | 136.3 | 89% | 0.894 | 74% | 0.738 | S | S | * | * | -176.1 | 162.4 | 94.1 | -102.7 | -79.4 | 0 | 0 | 0 | 112.5 | |||||
| 375 | L | 33.6 | Very low | 33.2 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | trans | -75.9 | 169.7 | -172.4 | -129.9 | 71.3 | 0 | 0 | 0 | 113.1 | ||||
| 376 | S | 34.8 | Very low | 32.7 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | -171.1 | 145.1 | 70.9 | 51.1 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 377 | N | 34.9 | Very low | 32.7 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | 60.4 | 145.2 | 145.7 | -73.6 | -9.5 | 0 | 0 | 0 | 121.4 | ||||
| 378 | A | 35.9 | Very low | 32.6 | Very low | 72 Ų | 72 | 136.4 Ų | 136.4 | 60% | 0.595 | 74% | 0.738 | S | S | * | * | cis | -158.8 | 155.7 | 1.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 379 | Q | 39 | Very low | 32.5 | Very low | 178 Ų | 178 | 141.3 Ų | 141.3 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | trans | 62.9 | 139.6 | 154 | -64.9 | 172.5 | -15.9 | 0 | 0 | 119.1 | ||||
| 380 | N | 35.1 | Very low | 32.4 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | cis | -159.6 | 141.4 | -13.7 | -121.7 | -11.1 | 0 | 0 | 0 | 110.7 | ||||
| 381 | N | 32.4 | Very low | 32.5 | Very low | 128 Ų | 128 | 135 Ų | 135 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | trans | -5.7 | 149.9 | 143.7 | -68.7 | -12.9 | 0 | 0 | 0 | 118.6 | ||||
| 382 | Q | 32.7 | Very low | 32.5 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | cis | -175.2 | 162.9 | 11.3 | -116.9 | 173.1 | -1.2 | 0 | 0 | 112.1 | ||||
| 383 | V | 33 | Very low | 32.8 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | trans | 72 | 109.4 | 140.5 | 174.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 384 | M | 28.6 | Very low | 32.7 | Very low | 159 Ų | 159 | 135.3 Ų | 135.3 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | trans | 56.4 | 137 | 130.4 | -67.8 | -162 | -173.1 | 0 | 0 | 126.5 | ||||
| 385 | L | 27.3 | Very low | 32.7 | Very low | 137 Ų | 137 | 131.2 Ų | 131.2 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | trans | 81.2 | 121.7 | 133.7 | -73.5 | 164.9 | 0 | 0 | 0 | 123 | ||||
| 386 | T | 28.5 | Very low | 32.6 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | trans | 81.2 | 145.9 | 137.7 | 55.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 387 | N | 32.3 | Very low | 32.4 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | 65 | 121.3 | 167.8 | -74.5 | -13.1 | 0 | 0 | 0 | 117.9 | ||||
| 388 | V | 34 | Very low | 32.4 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | 94 | 118.9 | 52.3 | 167.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 389 | N | 29.7 | Very low | 32.1 | Very low | 168 Ų | 168 | 131.8 Ų | 131.8 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | trans | 71.2 | 137.5 | 166.7 | -67.5 | -13 | 0 | 0 | 0 | 120.7 | ||||
| 390 | G | 32.9 | Very low | 31.8 | Very low | 66 Ų | 66 | 131.3 Ų | 131.3 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | trans | 133.4 | 73.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 391 | T | 32.3 | Very low | 31.5 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | 67.4 | 100 | 96.1 | 59.2 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 392 | V | 32.2 | Very low | 31.6 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | 49.5 | 117.6 | 132.3 | -170.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 393 | S | 33.8 | Very low | 31.4 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | -178.6 | 118.3 | 123 | 28.7 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 394 | L | 29.6 | Very low | 31.4 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | 63.7 | 108.2 | 88.4 | -95.5 | 151.2 | 0 | 0 | 0 | 115.4 | |||||
| 395 | N | 33.7 | Very low | 31.5 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | 178.2 | 152.7 | 116.9 | -89.8 | -20.8 | 0 | 0 | 0 | 115.6 | |||||
| 396 | N | 33.2 | Very low | 31.4 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | 65.2 | 154.7 | 163.4 | -74.4 | -3.9 | 0 | 0 | 0 | 120.9 | ||||
| 397 | C | 29.7 | Very low | 31.7 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 86% | 0.858 | 81% | 0.809 | S | S | * | * | cis | -174.7 | 153.8 | -37.5 | -160.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 398 | G | 34.1 | Very low | 31.6 | Very low | 75 Ų | 75 | 131 Ų | 131 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | 122.8 | 88 | 163 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 399 | T | 30.5 | Very low | 31.5 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | -85.9 | 147.7 | 159.7 | 47.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 400 | N | 33.5 | Very low | 31.6 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | -161.3 | 147.8 | 132.9 | -101.8 | -17.1 | 0 | 0 | 0 | 112.3 | ||||
| 401 | V | 28.5 | Very low | 31.6 | Very low | 130 Ų | 130 | 136 Ų | 136 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | trans | -113.2 | 132.1 | -175.4 | 174.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 402 | T | 33.4 | Very low | 31.6 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 87% | 0.871 | 81% | 0.811 | S | S | * | * | trans | -147.5 | 123.3 | 155.7 | 39.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 403 | T | 28.1 | Very low | 31.7 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -68.5 | 156.3 | 166.1 | -3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 404 | V | 33.3 | Very low | 31.7 | Very low | 135 Ų | 135 | 139 Ų | 139 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | 158.7 | 125.9 | 133.3 | 159.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 405 | A | 30.9 | Very low | 31.8 | Very low | 97 Ų | 97 | 138 Ų | 138 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | 58.5 | 152.4 | 150.1 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 406 | R | 26.3 | Very low | 31.6 | Very low | 239 Ų | 239 | 136.7 Ų | 136.7 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -82.3 | 138.1 | 177 | -70.9 | 170.9 | 167.1 | 161.5 | -5.4 | 113.1 | ||||
| 407 | T | 34.2 | Very low | 31.4 | Very low | 151 Ų | 151 | 137 Ų | 137 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | trans | 174.9 | 143 | 133 | 31.5 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 408 | G | 30.9 | Very low | 31.3 | Very low | 68 Ų | 68 | 140 Ų | 140 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | cis | 152.1 | 120.3 | 13.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 409 | Q | 30.5 | Very low | 31.2 | Very low | 188 Ų | 188 | 144 Ų | 144 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | 53.9 | 118.3 | 169.1 | -66.6 | 175.9 | -57.7 | 0 | 0 | 121 | ||||
| 410 | N | 33 | Very low | 31.2 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | 170.6 | 103.8 | 133.7 | -83.5 | -22.7 | 0 | 0 | 0 | 107.5 | ||||
| 411 | T | 32.3 | Very low | 31.2 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | 50.4 | 130.2 | 89.6 | 63 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 412 | M | 31.6 | Very low | 31.5 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | cis | -163.3 | -172 | 6.6 | -116.3 | -69.6 | -92.3 | 0 | 0 | 108.6 | ||||
| 413 | P | 35.1 | Very low | 31.4 | Very low | 98 Ų | 98 | 151.3 Ų | 151.3 | 64% | 0.636 | 82% | 0.822 | S | S | * | * | -115.4 | -176.4 | -126.5 | 45.4 | -33 | 0 | 0 | 0 | 115.8 | |||||
| 414 | L | 33.4 | Very low | 31.6 | Very low | 166 Ų | 166 | 150 Ų | 150 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | trans | -143.8 | 128.9 | 162.5 | -138.9 | 83.7 | 0 | 0 | 0 | 114.4 | ||||
| 415 | V | 32.9 | Very low | 31.6 | Very low | 123 Ų | 123 | 153.2 Ų | 153.2 | 75% | 0.745 | 82% | 0.824 | S | S | * | * | trans | 59.2 | 98.5 | 163.2 | -154.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 416 | S | 28.8 | Very low | 31.5 | Very low | 114 Ų | 114 | 153.4 Ų | 153.4 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -83.1 | 150 | 150.3 | 49.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 417 | N | 28.8 | Very low | 31.9 | Very low | 160 Ų | 160 | 150 Ų | 150 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | -148.4 | 73.2 | 172.1 | -149 | 30.5 | 0 | 0 | 0 | 113.3 | ||||
| 418 | E | 28.2 | Very low | 32 | Very low | 188 Ų | 188 | 150.6 Ų | 150.6 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | -144.1 | 117.2 | 165.1 | -80.2 | -159.4 | 127 | 0 | 0 | 111.3 | ||||
| 419 | L | 30.5 | Very low | 32 | Very low | 161 Ų | 161 | 155.6 Ų | 155.6 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -171.2 | 97.5 | 153.6 | -144.3 | 73.3 | 0 | 0 | 0 | 107.5 | ||||
| 420 | I | 32.1 | Very low | 32 | Very low | 153 Ų | 153 | 153.8 Ų | 153.8 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | 45.9 | 102.2 | 91.6 | -53.9 | 177.1 | 0 | 0 | 0 | 114 | |||||
| 421 | Q | 33.7 | Very low | 32 | Very low | 189 Ų | 189 | 155.6 Ų | 155.6 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -162.2 | 102.5 | 146.5 | -162.6 | 166.2 | 87.8 | 0 | 0 | 112.9 | ||||
| 422 | Q | 33.1 | Very low | 31.9 | Very low | 196 Ų | 196 | 154.3 Ų | 154.3 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | -164.2 | 93.5 | 147 | -113.4 | 176.1 | 20 | 0 | 0 | 111.9 | ||||
| 423 | Q | 32.4 | Very low | 31.9 | Very low | 184 Ų | 184 | 156.8 Ų | 156.8 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -91.6 | 163.6 | 153 | -105.9 | -178.1 | -21 | 0 | 0 | 107.3 | ||||
| 424 | S | 31.1 | Very low | 31.4 | Very low | 100 Ų | 100 | 158.9 Ų | 158.9 | 70% | 0.699 | 82% | 0.82 | S | S | * | * | cis | -171.6 | 153.1 | 4.1 | 42.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 425 | Q | 35.1 | Very low | 31.3 | Very low | 204 Ų | 204 | 160.4 Ų | 160.4 | 95% | 0.953 | 82% | 0.815 | S | S | * | * | trans | -136 | 151.3 | 150 | -87.3 | -168.5 | 1.8 | 0 | 0 | 111.1 | ||||
| 426 | S | 28.7 | Very low | 31.4 | Very low | 101 Ų | 101 | 162.3 Ų | 162.3 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | trans | -109 | 157.1 | -160.6 | 49.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 427 | Q | 32.8 | Very low | 31.6 | Very low | 166 Ų | 166 | 162.2 Ų | 162.2 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | 171.8 | 155.6 | 115.1 | -94.1 | 179.4 | 31 | 0 | 0 | 114.2 | |||||
| 428 | Q | 36.3 | Very low | 31.7 | Very low | 164 Ų | 164 | 161.9 Ų | 161.9 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | 67.6 | 149.3 | 163.9 | -67.4 | 169.2 | 14.4 | 0 | 0 | 119.2 | ||||
| 429 | Q | 32.5 | Very low | 32.1 | Very low | 173 Ų | 173 | 158.4 Ų | 158.4 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | cis | -159.4 | 163.2 | -41.2 | -148.1 | 164.4 | -10.2 | 0 | 0 | 108 | ||||
| 430 | N | 29.2 | Very low | 32.4 | Very low | 150 Ų | 150 | 157.8 Ų | 157.8 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -40.1 | 147.6 | 174.4 | -67.1 | -17.5 | 0 | 0 | 0 | 113.6 | ||||
| 431 | E | 34.3 | Very low | 32.4 | Very low | 187 Ų | 187 | 160.7 Ų | 160.7 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | -157.7 | 157.5 | 70.4 | -85.4 | 179.7 | 155.3 | 0 | 0 | 113.9 | |||||
| 432 | A | 29.6 | Very low | 32.4 | Very low | 92 Ų | 92 | 155.3 Ų | 155.3 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -118.3 | 134.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 433 | Y | 30.8 | Very low | 32.4 | Very low | 224 Ų | 224 | 155.3 Ų | 155.3 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | trans | -128.9 | 135.5 | 158.1 | -99.4 | -86.2 | 0 | 0 | 0 | 109.9 | ||||
| 434 | N | 25.4 | Very low | 32.6 | Very low | 141 Ų | 141 | 152.3 Ų | 152.3 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | trans | -133 | 120.4 | -171.1 | 176 | 9.1 | 0 | 0 | 0 | 107.3 | ||||
| 435 | Y | 32.2 | Very low | 32.6 | Very low | 199 Ų | 199 | 154.2 Ų | 154.2 | 78% | 0.78 | 81% | 0.814 | S | S | * | * | trans | -152 | 108.8 | 162.1 | -94.2 | -62 | 0 | 0 | 0 | 113.5 | ||||
| 436 | Q | 33.2 | Very low | 32.7 | Very low | 162 Ų | 162 | 149 Ų | 149 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | 78.7 | 132.1 | 127.1 | -132.7 | 156.3 | -26.8 | 0 | 0 | 122.2 | |||||
| 437 | T | 33.7 | Very low | 32.8 | Very low | 112 Ų | 112 | 152.7 Ų | 152.7 | 69% | 0.687 | 81% | 0.809 | S | S | * | * | trans | -82.8 | 140.9 | 177.9 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 438 | N | 31.9 | Very low | 32.9 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | 176.8 | 143.8 | 111 | -95.4 | -16.7 | 0 | 0 | 0 | 112.9 | |||||
| 439 | P | 36.5 | Very low | 32.6 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | trans | -107.5 | 139.2 | 175.4 | 37.4 | -29.2 | 0 | 0 | 0 | 113.5 | ||||
| 440 | V | 35.6 | Very low | 32.8 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | -146.6 | 144.5 | 159.2 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 441 | F | 32.8 | Very low | 33.3 | Very low | 213 Ų | 213 | 146.7 Ų | 146.7 | 93% | 0.934 | 81% | 0.811 | S | S | * | * | trans | -52 | 154.3 | 173.5 | -95.3 | -117.5 | 0 | 0 | 0 | 115.7 | ||||
| 442 | G | 34 | Very low | 33.2 | Very low | 76 Ų | 76 | 142.7 Ų | 142.7 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | 172.1 | 112.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 443 | E | 32 | Very low | 33.5 | Very low | 196 Ų | 196 | 144 Ų | 144 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -76.4 | 143.2 | 174.6 | -61.8 | 170.8 | 114.4 | 0 | 0 | 112 | ||||
| 444 | S | 36.4 | Very low | 33.9 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | -169.1 | 133.8 | 135.9 | 46 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 445 | V | 32.1 | Very low | 34.3 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | trans | -87.6 | 137.5 | 169.7 | 172.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 446 | S | 36 | Very low | 34.7 | Very low | 95 Ų | 95 | 138 Ų | 138 | 66% | 0.664 | 82% | 0.821 | S | S | * | * | trans | 173.4 | 117.6 | 138.6 | -82.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 447 | M | 31.2 | Very low | 34.8 | Very low | 179 Ų | 179 | 137.9 Ų | 137.9 | 88% | 0.882 | 82% | 0.822 | S | S | * | * | trans | 55.7 | 155.5 | 133.1 | -68.2 | -171.8 | -78.8 | 0 | 0 | 124.7 | ||||
| 448 | A | 34.6 | Very low | 35.3 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 75% | 0.752 | 83% | 0.832 | S | S | * | * | trans | 86 | 110 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 449 | V | 31.7 | Very low | 35.5 | Very low | 134 Ų | 134 | 140.4 Ų | 140.4 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | cis | 75.8 | 137.2 | 48.2 | -176.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 450 | M | 36.4 | Very low | 35.8 | Very low | 169 Ų | 169 | 141.6 Ų | 141.6 | 83% | 0.833 | 83% | 0.832 | S | S | * | * | trans | 86.5 | 134.9 | -170.8 | -54.2 | -156.2 | -67.1 | 0 | 0 | 113.4 | ||||
| 451 | T | 38.2 | Very low | 35.8 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | cis | -154.3 | 157.3 | 6.8 | -1.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 452 | A | 32.1 | Very low | 36.2 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -78.1 | 147.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 453 | S | 37.3 | Very low | 36.5 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | trans | -129.4 | 130.6 | 166.2 | 60.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 454 | Q | 39.3 | Very low | 36.8 | Very low | 197 Ų | 197 | 138.4 Ų | 138.4 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -79.8 | 158.2 | -172.2 | -64 | 163 | -12.3 | 0 | 0 | 112.7 | ||||
| 455 | S | 33.2 | Very low | 37 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | trans | -92.4 | 159.5 | 167.2 | 47.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 456 | P | 40.6 | Very low | 37.1 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | trans | -117.3 | 139.1 | 157.7 | 34 | -23.6 | 0 | 0 | 0 | 112.5 | ||||
| 457 | M | 35.7 | Very low | 37.3 | Very low | 158 Ų | 158 | 146 Ų | 146 | 78% | 0.778 | 83% | 0.832 | S | S | * | * | trans | -78.2 | 156.2 | 171.5 | -69.6 | 169.1 | 56.8 | 0 | 0 | 111.8 | M459 | M457-M459 HydrophobicContact CE-CE 3.95Å; M457-M459 HydrophobicContact CE-CG 4.44Å | ||
| 458 | L | 43.8 | Very low | 37.7 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 90% | 0.895 | 82% | 0.822 | S | S | * | * | trans | -132 | 114.3 | 163 | -116.6 | 152.4 | 0 | 0 | 0 | 108.9 | ||||
| 459 | M | 36.2 | Very low | 37.9 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 73% | 0.729 | 82% | 0.823 | S | S | * | * | trans | -105.2 | 139.9 | 166.6 | -77.8 | -170.1 | -179.4 | 0 | 0 | 109.2 | M457 | M457-M459 HydrophobicContact CE-CE 3.95Å; M457-M459 HydrophobicContact CE-CG 4.44Å | ||
| 460 | T | 43.9 | Very low | 38.2 | Very low | 140 Ų | 140 | 144 Ų | 144 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | trans | -135.6 | 136.8 | 155.6 | 35.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 461 | Q | 35.5 | Very low | 38.4 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -101.4 | 152.6 | -171.8 | -53.7 | 171.1 | 19.7 | 0 | 0 | 111 | ||||
| 462 | S | 41.3 | Very low | 38.4 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -157.3 | 88.6 | 156 | 61.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 463 | M | 40.2 | Very low | 38.7 | Very low | 184 Ų | 184 | 143.8 Ų | 143.8 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | trans | 32.7 | 138.1 | 140 | -53.9 | -172.6 | -177.3 | 0 | 0 | 122.7 | ||||
| 464 | A | 37.8 | Very low | 38.6 | Very low | 93 Ų | 93 | 144.3 Ų | 144.3 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -88.8 | -170.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 465 | P | 40.4 | Very low | 38.5 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | -146 | -178.2 | 92.9 | 39.6 | -22.9 | 0 | 0 | 0 | 116.3 | |||||
| 466 | N | 34.5 | Very low | 38.5 | Very low | 144 Ų | 144 | 142.6 Ų | 142.6 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -111.9 | 154 | -163.5 | -171.3 | 15.4 | 0 | 0 | 0 | 113.2 | ||||
| 467 | Y | 39.7 | Very low | 38.1 | Very low | 235 Ų | 235 | 141.2 Ų | 141.2 | 92% | 0.922 | 80% | 0.801 | S | S | * | * | trans | -157.3 | 135.6 | 165.3 | -95.1 | -86.7 | 0 | 0 | 0 | 106.2 | ||||
| 468 | G | 40.4 | Very low | 38 | Very low | 66 Ų | 66 | 140.4 Ų | 140.4 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | cis | -174.7 | 159.5 | -4.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 469 | S | 37.1 | Very low | 37.7 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -65.7 | 148.6 | -179.2 | 48.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 470 | E | 38.8 | Very low | 37.8 | Very low | 183 Ų | 183 | 140 Ų | 140 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | 176.9 | 164.1 | 79.9 | -89.6 | -173.1 | -124.1 | 0 | 0 | 109.3 | |||||
| 471 | A | 39.7 | Very low | 37.3 | Very low | 76 Ų | 76 | 140.8 Ų | 140.8 | 63% | 0.628 | 80% | 0.798 | S | S | * | * | cis | -164.6 | 174.1 | -13.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 472 | N | 38.4 | Very low | 37.3 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | -4.1 | 128.4 | 163.5 | -53.4 | -28.9 | 0 | 0 | 0 | 120.5 | ||||
| 473 | H | 39 | Very low | 37.1 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | -171.3 | 153.5 | 92 | -110.2 | -82.9 | 0 | 0 | 0 | 114.3 | |||||
| 474 | V | 34.7 | Very low | 37.2 | Very low | 131 Ų | 131 | 141 Ų | 141 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -89.8 | 136.7 | -178.6 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 475 | A | 38.8 | Very low | 37.3 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -156.6 | 134 | 148.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 476 | Q | 32.7 | Very low | 37.9 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -91.9 | 167.5 | 177.2 | -67.7 | 169.9 | -59.5 | 0 | 0 | 112.2 | ||||
| 477 | S | 32.4 | Very low | 38.3 | Very low | 97 Ų | 97 | 141 Ų | 141 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | 95.9 | 127.8 | 143.9 | 79.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 478 | N | 33.2 | Very low | 38.5 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | 56.2 | 111.5 | 139.7 | -56.5 | -11.9 | 0 | 0 | 0 | 119.9 | ||||
| 479 | F | 37.3 | Very low | 38.9 | Very low | 215 Ų | 215 | 149.8 Ų | 149.8 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | trans | -123.2 | 99.9 | 146.6 | -95.6 | -83.4 | 0 | 0 | 0 | 111.1 | ||||
| 480 | S | 37.7 | Very low | 39 | Very low | 96 Ų | 96 | 151.8 Ų | 151.8 | 67% | 0.671 | 81% | 0.813 | S | S | * | * | trans | -112.1 | 134.4 | 162.1 | -58.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 481 | N | 33.2 | Very low | 39 | Very low | 157 Ų | 157 | 150.1 Ų | 150.1 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | 50.9 | 120 | 162.7 | -59.8 | -16.4 | 0 | 0 | 0 | 118.8 | ||||
| 482 | C | 36.5 | Very low | 38.9 | Very low | 132 Ų | 132 | 154.2 Ų | 154.2 | 89% | 0.892 | 82% | 0.821 | S | S | * | * | trans | -131.4 | 121 | 144.7 | -152.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 483 | L | 35.9 | Very low | 39 | Very low | 150 Ų | 150 | 155.1 Ų | 155.1 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -71.7 | 151.4 | 169.9 | -69.6 | 102.3 | 0 | 0 | 0 | 109.8 | ||||
| 484 | Q | 42.5 | Very low | 39 | Very low | 197 Ų | 197 | 153.1 Ų | 153.1 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | trans | -142.8 | 111.6 | 136.1 | -114.3 | 176.1 | 19.9 | 0 | 0 | 110.6 | ||||
| 485 | S | 40.7 | Very low | 39.3 | Very low | 100 Ų | 100 | 154.6 Ų | 154.6 | 70% | 0.699 | 83% | 0.825 | S | S | * | * | trans | -78.4 | 138 | 167.2 | 55.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 486 | V | 52.2 | Low | 39.3 | Very low | 148 Ų | 148 | 158.5 Ų | 158.5 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | -122.6 | 134 | 151 | 179.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 487 | N | 42.6 | Very low | 39.8 | Very low | 124 Ų | 124 | 157.2 Ų | 157.2 | 66% | 0.663 | 83% | 0.825 | S | S | * | * | trans | -121.3 | 155.9 | -165.6 | -155.3 | 2.3 | 0 | 0 | 0 | 109.8 | ||||
| 488 | H | 44.8 | Very low | 40.4 | Very low | 167 Ų | 167 | 162.2 Ų | 162.2 | 77% | 0.773 | 84% | 0.837 | S | S | * | * | trans | 58.3 | 100.6 | 172.6 | -61.6 | -69.9 | 0 | 0 | 0 | 118.8 | ||||
| 489 | R | 48.3 | Very low | 41.1 | Very low | 320 Ų | 320 | 164.2 Ų | 164.2 | 100% | 1.208 | 85% | 0.845 | S | S | * | * | -155.2 | 0 | 89.6 | -146 | 178 | -159.6 | -176.5 | 6.6 | 112 |
Retrieved 489 of 489 residues in 157.2 ms
(Link to these results)