| 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 | 37.4 | Very low | 42.5 | Very low | 230 Ų | 230 | 157.2 Ų | 157.2 | 100% | 1.133 | 81% | 0.813 | S | S | * | * | 0 | 128.2 | 0 | -76.4 | -173.5 | -169.5 | 0 | 0 | 107.5 | |||||
| 2 | H | 42 | Very low | 43.3 | Very low | 180 Ų | 180 | 154.1 Ų | 154.1 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | trans | 92.5 | 60.2 | 170.5 | -50.7 | -13.8 | 0 | 0 | 0 | 116.7 | ||||
| 3 | D | 40.2 | Very low | 44.6 | Very low | 149 Ų | 149 | 147.4 Ų | 147.4 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | -69.6 | 134 | 124.2 | -63.3 | -58.7 | 0 | 0 | 0 | 107.5 | |||||
| 4 | D | 45.9 | Very low | 46.2 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | 150.6 | 40.4 | 162.4 | -76.1 | -17.7 | 0 | 0 | 0 | 114.2 | ||||
| 5 | L | 43 | Very low | 47.6 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 93% | 0.932 | 76% | 0.757 | S | S | * | * | trans | -129.3 | 29.2 | 167.8 | -75 | 176.3 | 0 | 0 | 0 | 113.4 | S7 | L5-S7 VanDerWaalsContact C-N 3.33Å; L5-S7 PolarHBondContact O-N 3.12Å | ||
| 6 | S | 40.4 | Very low | 48.7 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | -87.2 | 82.8 | 157.8 | -172.3 | 0 | 0 | 0 | 0 | 107.5 | E8 | S6-E8 VanDerWaalsContact C-N 3.31Å; S6-E8 PolarHBondContact O-N 3.15Å | ||
| 7 | S | 42.4 | Very low | 50 | Low | 89 Ų | 89 | 139.9 Ų | 139.9 | 62% | 0.622 | 72% | 0.721 | S | S | * | * | trans | -63 | 100.7 | 165.2 | 68.3 | 0 | 0 | 0 | 0 | 107.4 | L5 L9 | L5-S7 VanDerWaalsContact C-N 3.33Å; L5-S7 PolarHBondContact O-N 3.12Å; S7-L9 PolarHBondContact O-N 3.33Å | ||
| 8 | E | 41.5 | Very low | 51.2 | Low | 171 Ų | 171 | 141.6 Ų | 141.6 | 80% | 0.799 | 72% | 0.722 | S | S | * | * | trans | -64.7 | 83.6 | 166.7 | -164.2 | 171.4 | 173.2 | 0 | 0 | 106.8 | S6 D10 | S6-E8 VanDerWaalsContact C-N 3.31Å; S6-E8 PolarHBondContact O-N 3.15Å; E8-D10 PolarHBondContact O-N 3.16Å; E8-D10 VanDerWaalsContact O-N 3.15Å | ||
| 9 | L | 42 | Very low | 52.1 | Low | 125 Ų | 125 | 142.1 Ų | 142.1 | 65% | 0.654 | 71% | 0.714 | S | S | * | * | trans | -72.8 | 104.5 | 173.3 | -72 | 171 | 0 | 0 | 0 | 106.6 | S7 Y11 | S7-L9 PolarHBondContact O-N 3.33Å; L9-Y11 WeakPolarHBondContact O-CD2 3.39Å; L9-Y11 PolarHBondContact O-N 2.91Å | ||
| 10 | D | 43.2 | Very low | 52.9 | Low | 145 Ų | 145 | 141.8 Ų | 141.8 | 78% | 0.775 | 71% | 0.708 | S | S | * | * | trans | -53.3 | 95.5 | 172.2 | -82.5 | -41.6 | 0 | 0 | 0 | 110.8 | E8 N12 | E8-D10 PolarHBondContact O-N 3.16Å; E8-D10 VanDerWaalsContact O-N 3.15Å; D10-N12 PolarHBondContact O-N 3.38Å | ||
| 11 | Y | 49.3 | Very low | 53.5 | Low | 187 Ų | 187 | 143.9 Ų | 143.9 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 15.5 | -175.2 | -110 | -85.9 | 0 | 0 | 0 | 114.3 | L9 | L9-Y11 WeakPolarHBondContact O-CD2 3.39Å; L9-Y11 PolarHBondContact O-N 2.91Å |
| 12 | N | 52 | Low | 54.9 | Low | 120 Ų | 120 | 142 Ų | 142 | 64% | 0.642 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | 25.9 | -166.8 | -114.9 | -2.8 | 0 | 0 | 0 | 115 | D10 | D10-N12 PolarHBondContact O-N 3.38Š|
| 13 | S | 61.1 | Low | 55.6 | Low | 67 Ų | 67 | 139.1 Ų | 139.1 | 47% | 0.469 | 68% | 0.678 | S | S | . | * | trans | -61.9 | 142.1 | 165.9 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | S15 E16 | S13-S15 PolarHBondContact O-N 3.33Å; S13-S15 PolarHBondContact OG-OG 2.81Å; S13-S15 VanDerWaalsContact OG-OG 3.05Å; S13-E16 PolarHBondContact O-N 3.29Å | ||
| 14 | E | 66.8 | Low | 56.6 | Low | 165 Ų | 165 | 138 Ų | 138 | 77% | 0.771 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -56.2 | -26.4 | -178.6 | -145.2 | 173.6 | -169.9 | 0 | 0 | 113 | R17 K18 | E14-R17 PolarHBondContact O-N 3.17Å; E14-K18 PolarHBondContact O-N 3.47Å |
| 15 | S | 66.4 | Low | 57.3 | Low | 76 Ų | 76 | 135 Ų | 135 | 53% | 0.531 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -63.9 | -39.4 | 174.1 | 58.4 | 0 | 0 | 0 | 0 | 112.8 | S13 K18 R19 | S13-S15 PolarHBondContact O-N 3.33Å; S13-S15 PolarHBondContact OG-OG 2.81Å; S13-S15 VanDerWaalsContact OG-OG 3.05Å; S15-K18 PolarHBondContact O-N 2.8Å; S15-R19 PolarHBondContact O-N 3.28Å |
| 16 | E | 65 | Low | 57.8 | Low | 71 Ų | 71 | 134.2 Ų | 134.2 | 33% | 0.332 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -70 | -37.3 | 177.7 | -84.4 | -60 | 123.4 | 0 | 0 | 111.7 | S13 K18 R19 K20 | S13-E16 PolarHBondContact O-N 3.29Å; E16-K18 VanDerWaalsContact C-N 3.27Å; E16-K18 PolarHBondContact O-N 3.39Å; E16-R19 CarbonylContact O-C 3.53Å; E16-R19 WeakPolarHBondContact O-CB 3.44Å; E16-R19 PolarHBondContact O-N 2.88Å; E16-R19 VanDerWaalsContact O-N 3.15Å; E16-R19 WeakPolarHBondContact OE1-CD 3.41Å; E16-R19 IonicContact OE1-NE 3.29Å; E16-R19 PolarHBondContact OE1-NE 3.06Å; E16-R19 IonicContact OE2-NE 3.5Å; E16-K20 WeakPolarHBondContact O-CB 3.2Å; E16-K20 PolarHBondContact O-N 2.88Å |
| 17 | R | 70.6 | Confident | 58.5 | Low | 151 Ų | 151 | 137.6 Ų | 137.6 | 57% | 0.57 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -60.2 | -40 | 173.6 | -70 | -177.7 | 178.4 | -178.8 | -0.1 | 111.5 | E14 R21 | E14-R17 PolarHBondContact O-N 3.17Å; R17-R21 WeakPolarHBondContact O-CG 3.46Å; R17-R21 PolarHBondContact O-N 3.34Å |
| 18 | K | 72.1 | Confident | 59 | Low | 169 Ų | 169 | 142.2 Ų | 142.2 | 74% | 0.735 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.2 | -38.5 | 176.1 | -128.8 | 172.8 | -174.6 | 171.8 | 0 | 111.6 | E14 S15 E16 R22 | E14-K18 PolarHBondContact O-N 3.47Å; S15-K18 PolarHBondContact O-N 2.8Å; E16-K18 VanDerWaalsContact C-N 3.27Å; E16-K18 PolarHBondContact O-N 3.39Å; K18-R22 PolarHBondContact O-N 3.22Å; K18-R22 VanDerWaalsContact O-N 3.09Å |
| 19 | R | 69 | Low | 59.5 | Low | 152 Ų | 152 | 142.8 Ų | 142.8 | 57% | 0.574 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -64.5 | -44.4 | 174.3 | -167.4 | 174.1 | 112.7 | 109.3 | 2.6 | 111.9 | S15 E16 R22 L23 | S15-R19 PolarHBondContact O-N 3.28Å; E16-R19 CarbonylContact O-C 3.53Å; E16-R19 WeakPolarHBondContact O-CB 3.44Å; E16-R19 PolarHBondContact O-N 2.88Å; E16-R19 VanDerWaalsContact O-N 3.15Å; E16-R19 WeakPolarHBondContact OE1-CD 3.41Å; E16-R19 IonicContact OE1-NE 3.29Å; E16-R19 PolarHBondContact OE1-NE 3.06Å; E16-R19 IonicContact OE2-NE 3.5Å; R19-R22 WeakPolarHBondContact O-CB 3.43Å; R19-R22 PolarHBondContact O-N 3.09Å; R19-L23 PolarHBondContact O-N 3.15Å |
| 20 | K | 67.4 | Low | 60.1 | Low | 135 Ų | 135 | 143.2 Ų | 143.2 | 59% | 0.587 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -61.3 | -47.2 | 176.6 | -172.1 | 178 | 178 | -178.5 | 0 | 111.8 | E16 R22 L23 E24 | E16-K20 WeakPolarHBondContact O-CB 3.2Å; E16-K20 PolarHBondContact O-N 2.88Å; K20-R22 VanDerWaalsContact C-N 3.28Å; K20-R22 PolarHBondContact O-N 3.07Å; K20-L23 WeakPolarHBondContact O-CB 3.44Å; K20-L23 PolarHBondContact O-N 2.99Å; K20-E24 WeakPolarHBondContact CE-OE1 3.4Å; K20-E24 WeakPolarHBondContact O-CG 3.48Å; K20-E24 PolarHBondContact O-N 3.3Å |
| 21 | R | 66.3 | Low | 60.6 | Low | 187 Ų | 187 | 140.3 Ų | 140.3 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -59.1 | -39.4 | 174.6 | -73 | -176.3 | -173.8 | -157 | 2.7 | 112.3 | R17 S25 | R17-R21 WeakPolarHBondContact O-CG 3.46Å; R17-R21 PolarHBondContact O-N 3.34Å; R21-S25 PolarHBondContact O-N 3.18Å; R21-S25 PolarHBondContact O-OG 3.13Å |
| 22 | R | 67 | Low | 61.3 | Low | 189 Ų | 189 | 136.6 Ų | 136.6 | 71% | 0.713 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.1 | -38.6 | 174.8 | -172.1 | -178.3 | -72.8 | -166.5 | -3.3 | 111.7 | K18 R19 K20 S25 | K18-R22 PolarHBondContact O-N 3.22Å; K18-R22 VanDerWaalsContact O-N 3.09Å; R19-R22 WeakPolarHBondContact O-CB 3.43Å; R19-R22 PolarHBondContact O-N 3.09Å; K20-R22 VanDerWaalsContact C-N 3.28Å; K20-R22 PolarHBondContact O-N 3.07Å; R22-S25 WeakPolarHBondContact O-CB 3.47Å; R22-S25 PolarHBondContact O-N 3.42Å |
| 23 | L | 56.4 | Low | 61.9 | Low | 120 Ų | 120 | 137 Ų | 137 | 63% | 0.628 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.9 | -41.8 | 177.5 | -136 | 89 | 0 | 0 | 0 | 111.9 | R19 K20 S25 F26 | R19-L23 PolarHBondContact O-N 3.15Å; K20-L23 WeakPolarHBondContact O-CB 3.44Å; K20-L23 PolarHBondContact O-N 2.99Å; L23-S25 PolarHBondContact O-N 3.16Å; L23-F26 PolarHBondContact O-N 3.3Å; L23-F26 VanDerWaalsContact O-N 3.17Å |
| 24 | E | 61.9 | Low | 62.4 | Low | 126 Ų | 126 | 139.7 Ų | 139.7 | 59% | 0.589 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -64.1 | -24.9 | 177.6 | -73.5 | 171.9 | 177.4 | 0 | 0 | 112.5 | K20 F26 | K20-E24 WeakPolarHBondContact CE-OE1 3.4Å; K20-E24 WeakPolarHBondContact O-CG 3.48Å; K20-E24 PolarHBondContact O-N 3.3Å; E24-F26 VanDerWaalsContact C-N 3.29Å; E24-F26 PolarHBondContact O-N 3.32Å |
| 25 | S | 59.3 | Low | 62.8 | Low | 94 Ų | 94 | 137.4 Ų | 137.4 | 66% | 0.657 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -22.3 | 177.5 | -51.4 | 0 | 0 | 0 | 0 | 112.9 | R21 R22 L23 Q27 | R21-S25 PolarHBondContact O-N 3.18Å; R21-S25 PolarHBondContact O-OG 3.13Å; R22-S25 WeakPolarHBondContact O-CB 3.47Å; R22-S25 PolarHBondContact O-N 3.42Å; L23-S25 PolarHBondContact O-N 3.16Å; S25-Q27 PolarHBondContact O-N 3.29Å |
| 26 | F | 53.8 | Low | 63.2 | Low | 163 Ų | 163 | 143.4 Ų | 143.4 | 72% | 0.715 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -88.5 | 94 | 171 | -78 | -86.9 | 0 | 0 | 0 | 108.3 | L23 E24 K28 | L23-F26 PolarHBondContact O-N 3.3Å; L23-F26 VanDerWaalsContact O-N 3.17Å; E24-F26 VanDerWaalsContact C-N 3.29Å; E24-F26 PolarHBondContact O-N 3.32Å; F26-K28 VanDerWaalsContact C-N 3.26Å; F26-K28 PolarHBondContact O-N 2.79Å |
| 27 | Q | 54.1 | Low | 63.7 | Low | 187 Ų | 187 | 143.5 Ų | 143.5 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | trans | -59.2 | 93.9 | 166.5 | -65.7 | -176.3 | 13.1 | 0 | 0 | 108.1 | S25 E29 | S25-Q27 PolarHBondContact O-N 3.29Å; Q27-E29 PolarHBondContact O-N 2.97Å; Q27-E29 VanDerWaalsContact O-N 3.16Å | ||
| 28 | K | 54.9 | Low | 64.5 | Low | 186 Ų | 186 | 140.3 Ų | 140.3 | 81% | 0.809 | 71% | 0.714 | S | S | * | * | trans | -68.3 | 111.7 | -179.3 | -175.1 | 174 | -177.4 | 177.9 | 0 | 108 | F26 T30 | F26-K28 VanDerWaalsContact C-N 3.26Å; F26-K28 PolarHBondContact O-N 2.79Å; K28-T30 PolarHBondContact O-N 3.15Å; K28-T30 VanDerWaalsContact O-N 3.12Å | ||
| 29 | E | 49.9 | Very low | 65.3 | Low | 184 Ų | 184 | 139.4 Ų | 139.4 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | trans | -50.6 | 120 | 165.8 | -65.6 | -172.6 | 161.2 | 0 | 0 | 108.4 | Q27 A31 | Q27-E29 PolarHBondContact O-N 2.97Å; Q27-E29 VanDerWaalsContact O-N 3.16Å; E29-A31 PolarHBondContact O-N 3.35Å; E29-A31 VanDerWaalsContact O-N 3.15Å | ||
| 30 | T | 55.3 | Low | 66.2 | Low | 134 Ų | 134 | 139.1 Ų | 139.1 | 82% | 0.822 | 72% | 0.716 | S | S | * | * | trans | -78.3 | 104.7 | -172.2 | 45.1 | 0 | 0 | 0 | 0 | 108.5 | K28 | K28-T30 PolarHBondContact O-N 3.15Å; K28-T30 VanDerWaalsContact O-N 3.12Å | ||
| 31 | A | 54 | Low | 67.2 | Low | 83 Ų | 83 | 138 Ų | 138 | 69% | 0.686 | 71% | 0.711 | S | S | * | * | trans | -55 | 148.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | E29 | E29-A31 PolarHBondContact O-N 3.35Å; E29-A31 VanDerWaalsContact O-N 3.15Å | ||
| 32 | P | 64.2 | Low | 68.3 | Low | 109 Ų | 109 | 135 Ų | 135 | 71% | 0.708 | 70% | 0.703 | S | S | * | * | trans | -54.8 | 145.8 | -176.6 | 21.5 | -32.9 | 0 | 0 | 0 | 111.5 | V34 | P32-V34 PolarHBondContact O-N 3.26Š| ||
| 33 | P | 64.4 | Low | 69.3 | Low | 128 Ų | 128 | 132.6 Ų | 132.6 | 83% | 0.831 | 70% | 0.695 | S | S | * | * | trans | -62.6 | 105.3 | -175.4 | 23.6 | -31.7 | 0 | 0 | 0 | 110.1 | ||||
| 34 | V | 71.2 | Confident | 71 | Confident | 125 Ų | 125 | 131.7 Ų | 131.7 | 76% | 0.758 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 131.1 | 170.7 | -170 | 0 | 0 | 0 | 0 | 107.4 | P32 K36 | P32-V34 PolarHBondContact O-N 3.26Å; V34-K36 PolarHBondContact O-N 3.45Å |
| 35 | P | 75.8 | Confident | 72.3 | Confident | 117 Ų | 117 | 129.7 Ų | 129.7 | 76% | 0.76 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 135.7 | 177.2 | 20.3 | -30.2 | 0 | 0 | 0 | 110.2 | A37 | P35-A37 PolarHBondContact O-N 3.33Š|
| 36 | K | 74 | Confident | 73.7 | Confident | 202 Ų | 202 | 128.1 Ų | 128.1 | 88% | 0.878 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 130.7 | 174.9 | -68.5 | 176 | -179.8 | 176.3 | 0 | 108.3 | V34 | V34-K36 PolarHBondContact O-N 3.45Š|
| 37 | A | 76.7 | Confident | 75.4 | Confident | 73 Ų | 73 | 123 Ų | 123 | 60% | 0.603 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 143.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | P35 F41 | P35-A37 PolarHBondContact O-N 3.33Å; A37-F41 HydrophobicContact CB-CD1 3.88Å |
| 38 | T | 85.7 | Confident | 77.1 | Confident | 83 Ų | 83 | 118.1 Ų | 118.1 | 51% | 0.509 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -69 | 154.6 | 176.5 | 53.3 | 0 | 0 | 0 | 0 | 111 | E40 F41 F42 | T38-E40 PolarHBondContact O-N 2.9Å; T38-F41 WeakPolarHBondContact O-CB 3.19Å; T38-F41 PolarHBondContact O-N 3.38Å; T38-F41 VanDerWaalsContact O-N 3.15Å; T38-F42 PolarHBondContact O-N 3.32Å |
| 39 | K | 89.1 | Confident | 78.5 | Confident | 151 Ų | 151 | 112.5 Ų | 112.5 | 66% | 0.657 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -58.2 | -36.6 | 178.9 | -179.2 | 175.5 | 177 | -179.7 | 0 | 111.7 | F42 Y43 | K39-F42 PolarHBondContact O-N 3.34Å; K39-Y43 HydrophobicContact CD-CE2 4.16Å; K39-Y43 HydrophobicContact CG-CD2 4.06Å; K39-Y43 HydrophobicContact CG-CE2 3.56Å; K39-Y43 WeakPolarHBondContact O-CD2 3.36Å; K39-Y43 PolarHBondContact O-N 2.67Å |
| 40 | E | 88.7 | Confident | 80.2 | Confident | 146 Ų | 146 | 108.1 Ų | 108.1 | 68% | 0.682 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.2 | -43.3 | 176.2 | -59 | 98.6 | -171.4 | 0 | 0 | 112.2 | T38 F42 Y43 E44 | T38-E40 PolarHBondContact O-N 2.9Å; E40-F42 PolarHBondContact O-N 3.33Å; E40-Y43 PolarHBondContact O-N 3.41Å; E40-Y43 VanDerWaalsContact O-N 3.16Å; E40-E44 PolarHBondContact O-N 3.46Å |
| 41 | F | 88.3 | Confident | 81.6 | Confident | 110 Ų | 110 | 105.4 Ų | 105.4 | 48% | 0.482 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.4 | -38.2 | 178.6 | -173.6 | -93.5 | 0 | 0 | 0 | 111.6 | A37 T38 E45 | A37-F41 HydrophobicContact CB-CD1 3.88Å; T38-F41 WeakPolarHBondContact O-CB 3.19Å; T38-F41 PolarHBondContact O-N 3.38Å; T38-F41 VanDerWaalsContact O-N 3.15Å; F41-E45 PolarHBondContact O-N 2.98Å; F41-E45 VanDerWaalsContact O-N 3.13Å |
| 42 | F | 89.3 | Confident | 83 | Confident | 125 Ų | 125 | 106.6 Ų | 106.6 | 55% | 0.548 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61 | -48 | 174.8 | 175.4 | -98.9 | 0 | 0 | 0 | 112.6 | T38 K39 E40 E45 C46 | T38-F42 PolarHBondContact O-N 3.32Å; K39-F42 PolarHBondContact O-N 3.34Å; E40-F42 PolarHBondContact O-N 3.33Å; F42-E45 PolarHBondContact O-N 2.95Å; F42-C46 PolarHBondContact O-N 3.15Å |
| 43 | Y | 89.1 | Confident | 83.9 | Confident | 138 Ų | 138 | 108.8 Ų | 108.8 | 54% | 0.541 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.7 | -37.1 | 179.4 | -73 | -68.1 | 0 | 0 | 0 | 113 | K39 E40 E45 C46 A47 | K39-Y43 HydrophobicContact CD-CE2 4.16Å; K39-Y43 HydrophobicContact CG-CD2 4.06Å; K39-Y43 HydrophobicContact CG-CE2 3.56Å; K39-Y43 WeakPolarHBondContact O-CD2 3.36Å; K39-Y43 PolarHBondContact O-N 2.67Å; E40-Y43 PolarHBondContact O-N 3.41Å; E40-Y43 VanDerWaalsContact O-N 3.16Å; Y43-E45 VanDerWaalsContact C-N 3.3Å; Y43-E45 PolarHBondContact O-N 3.05Å; Y43-C46 PolarHBondContact O-N 3.28Å; Y43-A47 WeakPolarHBondContact O-CB 3.43Å; Y43-A47 PolarHBondContact O-N 3.01Å |
| 44 | E | 90.8 | Very high | 84.8 | Confident | 101 Ų | 101 | 106.9 Ų | 106.9 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 175.7 | -171.4 | -174.8 | 160.6 | 0 | 0 | 111 | E40 A47 K48 | E40-E44 PolarHBondContact O-N 3.46Å; E44-A47 PolarHBondContact O-N 2.91Å; E44-K48 HydrophobicContact CG-CD 4.48Å; E44-K48 WeakPolarHBondContact O-CG 3.33Å; E44-K48 PolarHBondContact O-N 2.93Å; E44-K48 WeakPolarHBondContact OE1-CE 3.39Å; E44-K48 IonicContact OE1-NZ 2.67Å; E44-K48 PolarHBondContact OE1-NZ 3.41Å |
| 45 | E | 89.2 | Confident | 85.5 | Confident | 85 Ų | 85 | 105.8 Ų | 105.8 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.4 | -39.6 | 178.3 | -159.5 | 62.7 | -164.9 | 0 | 0 | 112 | F41 F42 Y43 A47 K48 E49 | F41-E45 PolarHBondContact O-N 2.98Å; F41-E45 VanDerWaalsContact O-N 3.13Å; F42-E45 PolarHBondContact O-N 2.95Å; Y43-E45 VanDerWaalsContact C-N 3.3Å; Y43-E45 PolarHBondContact O-N 3.05Å; E45-A47 VanDerWaalsContact C-N 3.31Å; E45-A47 PolarHBondContact O-N 3.07Å; E45-K48 PolarHBondContact O-N 2.83Å; E45-E49 WeakPolarHBondContact O-CB 3.14Å; E45-E49 PolarHBondContact O-N 3.31Å |
| 46 | C | 88.6 | Confident | 86 | Confident | 60 Ų | 60 | 101.2 Ų | 101.2 | 41% | 0.405 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 171.5 | -77.8 | 0 | 0 | 0 | 0 | 112.4 | F42 Y43 E49 N50 | F42-C46 PolarHBondContact O-N 3.15Å; Y43-C46 PolarHBondContact O-N 3.28Å; C46-E49 PolarHBondContact O-N 3.02Å; C46-N50 PolarHBondContact O-N 2.95Å |
| 47 | A | 89.4 | Confident | 86.5 | Confident | 57 Ų | 57 | 96.4 Ų | 96.4 | 47% | 0.471 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.3 | -43.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y43 E44 E45 E49 N50 T51 | Y43-A47 WeakPolarHBondContact O-CB 3.43Å; Y43-A47 PolarHBondContact O-N 3.01Å; E44-A47 PolarHBondContact O-N 2.91Å; E45-A47 VanDerWaalsContact C-N 3.31Å; E45-A47 PolarHBondContact O-N 3.07Å; A47-E49 VanDerWaalsContact C-N 3.3Å; A47-E49 PolarHBondContact O-N 3.03Å; A47-N50 PolarHBondContact O-N 3.45Å; A47-T51 WeakPolarHBondContact O-CG2 3.31Å; A47-T51 PolarHBondContact O-N 2.97Å; A47-T51 PolarHBondContact O-OG1 3.01Å |
| 48 | K | 90 | Very high | 87 | Confident | 83 Ų | 83 | 100.2 Ų | 100.2 | 36% | 0.361 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.3 | -39.2 | 173.5 | -72.8 | 171.5 | -175.4 | 165.6 | 0 | 111.9 | E44 E45 T51 K52 | E44-K48 HydrophobicContact CG-CD 4.48Å; E44-K48 WeakPolarHBondContact O-CG 3.33Å; E44-K48 PolarHBondContact O-N 2.93Å; E44-K48 WeakPolarHBondContact OE1-CE 3.39Å; E44-K48 IonicContact OE1-NZ 2.67Å; E44-K48 PolarHBondContact OE1-NZ 3.41Å; E45-K48 PolarHBondContact O-N 2.83Å; K48-T51 PolarHBondContact O-OG1 3.21Å; K48-K52 VanDerWaalsContact O-CG 3.3Å; K48-K52 WeakPolarHBondContact O-CG 3.05Å; K48-K52 PolarHBondContact O-N 3.43Å; K48-K52 VanDerWaalsContact O-N 3.15Å |
| 49 | E | 85.7 | Confident | 87.3 | Confident | 69 Ų | 69 | 99.7 Ų | 99.7 | 32% | 0.322 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.9 | -41 | 176.7 | -179.3 | 57.1 | -162.3 | 0 | 0 | 112.1 | E45 C46 A47 T51 K52 R53 | E45-E49 WeakPolarHBondContact O-CB 3.14Å; E45-E49 PolarHBondContact O-N 3.31Å; C46-E49 PolarHBondContact O-N 3.02Å; A47-E49 VanDerWaalsContact C-N 3.3Å; A47-E49 PolarHBondContact O-N 3.03Å; E49-T51 PolarHBondContact O-N 3.04Å; E49-K52 PolarHBondContact O-N 3.15Å; E49-R53 WeakPolarHBondContact O-CG 3.16Å; E49-R53 PolarHBondContact O-N 2.83Å; E49-R53 IonicContact OE1-CZ 2.82Å; E49-R53 IonicContact OE1-NE 3.89Å; E49-R53 PolarHBondContact OE1-NE 3.44Å; E49-R53 IonicContact OE1-NH2 3.51Å |
| 50 | N | 84.6 | Confident | 87.4 | Confident | 92 Ų | 92 | 97.3 Ų | 97.3 | 49% | 0.492 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 176.7 | -170 | 45 | 0 | 0 | 0 | 111.8 | C46 A47 K52 R53 Q54 | C46-N50 PolarHBondContact O-N 2.95Å; A47-N50 PolarHBondContact O-N 3.45Å; N50-K52 PolarHBondContact O-N 3.23Å; N50-R53 WeakPolarHBondContact O-CB 3.45Å; N50-R53 PolarHBondContact O-N 3.23Å; N50-R53 VanDerWaalsContact O-N 3.16Å; N50-Q54 WeakPolarHBondContact O-CG 3.3Å; N50-Q54 PolarHBondContact O-N 3.06Å |
| 51 | T | 85.1 | Confident | 87.6 | Confident | 76 Ų | 76 | 95.3 Ų | 95.3 | 47% | 0.466 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 176.5 | 54.9 | 0 | 0 | 0 | 0 | 112.2 | A47 K48 E49 R53 Q54 N55 | A47-T51 WeakPolarHBondContact O-CG2 3.31Å; A47-T51 PolarHBondContact O-N 2.97Å; A47-T51 PolarHBondContact O-OG1 3.01Å; K48-T51 PolarHBondContact O-OG1 3.21Å; E49-T51 PolarHBondContact O-N 3.04Å; T51-R53 VanDerWaalsContact C-N 3.31Å; T51-R53 PolarHBondContact O-N 3.36Å; T51-Q54 PolarHBondContact O-N 3.28Å; T51-N55 PolarHBondContact O-N 3.46Å; T51-N55 PolarHBondContact O-ND2 2.98Å; T51-N55 PolarHBondContact O-OD1 3.14Å |
| 52 | K | 83.8 | Confident | 87.8 | Confident | 108 Ų | 108 | 97.3 Ų | 97.3 | 47% | 0.47 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.5 | -42.7 | 172.5 | -71.1 | 170 | -169.3 | 169 | 0 | 111.8 | K48 E49 N50 N55 V56 | K48-K52 VanDerWaalsContact O-CG 3.3Å; K48-K52 WeakPolarHBondContact O-CG 3.05Å; K48-K52 PolarHBondContact O-N 3.43Å; K48-K52 VanDerWaalsContact O-N 3.15Å; E49-K52 PolarHBondContact O-N 3.15Å; N50-K52 PolarHBondContact O-N 3.23Å; K52-N55 PolarHBondContact O-N 3.47Å; K52-V56 WeakPolarHBondContact O-CG2 3.37Å; K52-V56 PolarHBondContact O-N 2.82Å |
| 53 | R | 82.8 | Confident | 88 | Confident | 156 Ų | 156 | 94 Ų | 94 | 59% | 0.589 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.3 | -43.8 | 178.1 | -70.4 | 176.2 | -176.7 | -168.1 | -1.8 | 112.5 | E49 N50 T51 N55 V56 | E49-R53 WeakPolarHBondContact O-CG 3.16Å; E49-R53 PolarHBondContact O-N 2.83Å; E49-R53 IonicContact OE1-CZ 2.82Å; E49-R53 IonicContact OE1-NE 3.89Å; E49-R53 PolarHBondContact OE1-NE 3.44Å; E49-R53 IonicContact OE1-NH2 3.51Å; N50-R53 WeakPolarHBondContact O-CB 3.45Å; N50-R53 PolarHBondContact O-N 3.23Å; N50-R53 VanDerWaalsContact O-N 3.16Å; T51-R53 VanDerWaalsContact C-N 3.31Å; T51-R53 PolarHBondContact O-N 3.36Å; R53-N55 VanDerWaalsContact C-N 3.29Å; R53-N55 PolarHBondContact O-N 3.45Å; R53-V56 WeakPolarHBondContact O-CB 3.36Å; R53-V56 PolarHBondContact O-N 3.39Å; R53-V56 VanDerWaalsContact O-N 3.16Å |
| 54 | Q | 83.4 | Confident | 88.3 | Confident | 88 Ų | 88 | 92.1 Ų | 92.1 | 41% | 0.411 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 175.7 | -67 | -61.5 | -37.7 | 0 | 0 | 111.6 | N50 T51 V56 L57 H58 | N50-Q54 WeakPolarHBondContact O-CG 3.3Å; N50-Q54 PolarHBondContact O-N 3.06Å; T51-Q54 PolarHBondContact O-N 3.28Å; Q54-V56 PolarHBondContact O-N 3.31Å; Q54-L57 WeakPolarHBondContact O-CB 3.45Å; Q54-L57 PolarHBondContact O-N 3.28Å; Q54-H58 PolarHBondContact O-N 3.32Å |
| 55 | N | 85.8 | Confident | 88.3 | Confident | 101 Ų | 101 | 92.7 Ų | 92.7 | 54% | 0.54 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.9 | -30.8 | 176.8 | -68.4 | -19.2 | 0 | 0 | 0 | 113.2 | T51 K52 R53 L57 | T51-N55 PolarHBondContact O-N 3.46Å; T51-N55 PolarHBondContact O-ND2 2.98Å; T51-N55 PolarHBondContact O-OD1 3.14Å; K52-N55 PolarHBondContact O-N 3.47Å; R53-N55 VanDerWaalsContact C-N 3.29Å; R53-N55 PolarHBondContact O-N 3.45Å; N55-L57 VanDerWaalsContact C-N 3.31Å |
| 56 | V | 84.9 | Confident | 88.5 | Confident | 22 Ų | 22 | 93.9 Ų | 93.9 | 13% | 0.133 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -70.8 | -28.8 | 177.2 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | K52 R53 Q54 R64 R67 L68 | K52-V56 WeakPolarHBondContact O-CG2 3.37Å; K52-V56 PolarHBondContact O-N 2.82Å; R53-V56 WeakPolarHBondContact O-CB 3.36Å; R53-V56 PolarHBondContact O-N 3.39Å; R53-V56 VanDerWaalsContact O-N 3.16Å; Q54-V56 PolarHBondContact O-N 3.31Å; V56-R64 HydrophobicContact CG1-CG 3.78Å; V56-R64 WeakPolarHBondContact O-CD 3.48Å; V56-R64 WeakPolarHBondContact O-CG 3.5Å; V56-R67 HydrophobicContact CG2-CG 4.42Å; V56-L68 HydrophobicContact CG1-CD2 4.2Å; V56-L68 HydrophobicContact CG1-CG 4.37Å |
| 57 | L | 85.6 | Confident | 88.6 | Confident | 101 Ų | 101 | 96.5 Ų | 96.5 | 53% | 0.529 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -74.3 | -28.5 | 179.8 | -63 | 176.9 | 0 | 0 | 0 | 113 | Q54 N55 L59 | Q54-L57 WeakPolarHBondContact O-CB 3.45Å; Q54-L57 PolarHBondContact O-N 3.28Å; N55-L57 VanDerWaalsContact C-N 3.31Å; L57-L59 PolarHBondContact O-N 3.33Å |
| 58 | H | 87.1 | Confident | 88.7 | Confident | 153 Ų | 153 | 98 Ų | 98 | 71% | 0.708 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -6.9 | 177.5 | -63 | 141.4 | 0 | 0 | 0 | 114.1 | Q54 | Q54-H58 PolarHBondContact O-N 3.32Š|
| 59 | L | 91 | Very high | 88.6 | Confident | 72 Ų | 72 | 96.4 Ų | 96.4 | 38% | 0.377 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -81.6 | 148.2 | 179.7 | -62.6 | 174.6 | 0 | 0 | 0 | 111.4 | L57 R64 R67 | L57-L59 PolarHBondContact O-N 3.33Å; L59-R64 HydrophobicContact CB-CB 4.09Å; L59-R67 HydrophobicContact CD1-CB 4.28Å; L59-R67 HydrophobicContact CD1-CG 4.42Å |
| 60 | D | 91.5 | Very high | 88.7 | Confident | 101 Ų | 101 | 97 Ų | 97 | 54% | 0.54 | 47% | 0.468 | S | S | . | . | trans | -52.3 | 154 | 167.4 | 169.7 | 55.7 | 0 | 0 | 0 | 111.7 | Y62 S63 R64 | D60-Y62 VanDerWaalsContact C-N 3.28Å; D60-Y62 PolarHBondContact O-N 3.47Å; D60-Y62 WeakPolarHBondContact OD2-CB 3.35Å; D60-Y62 PolarHBondContact OD2-N 3.04Å; D60-Y62 VanDerWaalsContact OD2-N 3.07Å; D60-S63 CarbonylContact O-C 3.6Å; D60-S63 PolarHBondContact O-N 2.94Å; D60-R64 VanDerWaalsContact O-CB 3.25Å; D60-R64 WeakPolarHBondContact O-CB 3.4Å; D60-R64 PolarHBondContact O-N 3.16Å | ||
| 61 | V | 93.2 | Very high | 88.9 | Confident | 104 Ų | 104 | 96.4 Ų | 96.4 | 63% | 0.63 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -51.3 | -46.5 | -177.7 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | H65 | V61-H65 WeakPolarHBondContact O-CB 3.42Å; V61-H65 PolarHBondContact O-N 2.98Å |
| 62 | Y | 93.5 | Very high | 88.9 | Confident | 152 Ų | 152 | 96.1 Ų | 96.1 | 60% | 0.596 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -68.6 | -45.3 | 179.1 | 174.5 | -99.2 | 0 | 0 | 0 | 111.5 | D60 R64 H65 K66 | D60-Y62 VanDerWaalsContact C-N 3.28Å; D60-Y62 PolarHBondContact O-N 3.47Å; D60-Y62 WeakPolarHBondContact OD2-CB 3.35Å; D60-Y62 PolarHBondContact OD2-N 3.04Å; D60-Y62 VanDerWaalsContact OD2-N 3.07Å; Y62-R64 VanDerWaalsContact C-N 3.35Å; Y62-R64 PolarHBondContact O-N 3.39Å; Y62-H65 PolarHBondContact O-N 3.45Å; Y62-K66 HydrophobicContact CE1-CD 4.27Å; Y62-K66 WeakPolarHBondContact O-CB 3.26Å; Y62-K66 PolarHBondContact O-N 3.38Å |
| 63 | S | 93.5 | Very high | 89 | Confident | 54 Ų | 54 | 95.2 Ų | 95.2 | 38% | 0.378 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 179.9 | -65.6 | 0 | 0 | 0 | 0 | 112.2 | D60 K66 R67 | D60-S63 CarbonylContact O-C 3.6Å; D60-S63 PolarHBondContact O-N 2.94Å; S63-K66 PolarHBondContact O-N 3.31Å; S63-R67 WeakPolarHBondContact O-CB 3.44Å; S63-R67 PolarHBondContact O-N 3.15Å |
| 64 | R | 94 | Very high | 89.2 | Confident | 99 Ų | 99 | 94.8 Ų | 94.8 | 37% | 0.374 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.3 | -50.5 | 175 | -172.5 | 176 | 74.9 | 179.9 | 3.6 | 111.1 | V56 L59 D60 Y62 K66 R67 L68 | V56-R64 HydrophobicContact CG1-CG 3.78Å; V56-R64 WeakPolarHBondContact O-CD 3.48Å; V56-R64 WeakPolarHBondContact O-CG 3.5Å; L59-R64 HydrophobicContact CB-CB 4.09Å; D60-R64 VanDerWaalsContact O-CB 3.25Å; D60-R64 WeakPolarHBondContact O-CB 3.4Å; D60-R64 PolarHBondContact O-N 3.16Å; Y62-R64 VanDerWaalsContact C-N 3.35Å; Y62-R64 PolarHBondContact O-N 3.39Å; R64-K66 PolarHBondContact O-N 3.36Å; R64-R67 PolarHBondContact O-N 2.93Å; R64-L68 HydrophobicContact CG-CD1 4.17Å; R64-L68 WeakPolarHBondContact O-CG 3.4Å; R64-L68 PolarHBondContact O-N 2.91Å |
| 65 | H | 92.6 | Very high | 89.3 | Confident | 114 Ų | 114 | 94.7 Ų | 94.7 | 53% | 0.528 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57.2 | -50.1 | 176.6 | 175.1 | -83.7 | 0 | 0 | 0 | 111.2 | V61 Y62 R67 L68 I69 | V61-H65 WeakPolarHBondContact O-CB 3.42Å; V61-H65 PolarHBondContact O-N 2.98Å; Y62-H65 PolarHBondContact O-N 3.45Å; H65-R67 VanDerWaalsContact C-N 3.31Å; H65-R67 PolarHBondContact O-N 3.31Å; H65-L68 PolarHBondContact O-N 3.15Å; H65-L68 VanDerWaalsContact O-N 3.17Å; H65-I69 VanDerWaalsContact CE1-CG1 3.41Å; H65-I69 WeakPolarHBondContact CE1-CG1 3.46Å; H65-I69 WeakPolarHBondContact O-CG1 3.47Å; H65-I69 PolarHBondContact O-N 3.41Å |
| 66 | K | 92.2 | Very high | 89.2 | Confident | 109 Ų | 109 | 93.3 Ų | 93.3 | 47% | 0.474 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -57.4 | -43.4 | 178.8 | -172.1 | 176 | -176.9 | 177.2 | 0 | 112 | Y62 S63 R64 N70 | Y62-K66 HydrophobicContact CE1-CD 4.27Å; Y62-K66 WeakPolarHBondContact O-CB 3.26Å; Y62-K66 PolarHBondContact O-N 3.38Å; S63-K66 PolarHBondContact O-N 3.31Å; R64-K66 PolarHBondContact O-N 3.36Å; K66-N70 WeakPolarHBondContact O-CB 3.49Å; K66-N70 PolarHBondContact O-N 2.99Å; K66-N70 PolarHBondContact O-ND2 3.3Å; K66-N70 PolarHBondContact O-OD1 3.48Å |
| 67 | R | 91.2 | Very high | 88.9 | Confident | 115 Ų | 115 | 97.8 Ų | 97.8 | 43% | 0.434 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 176.8 | -177.9 | 67.3 | 176.6 | 80.2 | 2 | 112.2 | V56 L59 S63 R64 H65 Q71 | V56-R67 HydrophobicContact CG2-CG 4.42Å; L59-R67 HydrophobicContact CD1-CB 4.28Å; L59-R67 HydrophobicContact CD1-CG 4.42Å; S63-R67 WeakPolarHBondContact O-CB 3.44Å; S63-R67 PolarHBondContact O-N 3.15Å; R64-R67 PolarHBondContact O-N 2.93Å; H65-R67 VanDerWaalsContact C-N 3.31Å; H65-R67 PolarHBondContact O-N 3.31Å; R67-Q71 VanDerWaalsContact NH1-OE1 3.13Å; R67-Q71 WeakPolarHBondContact O-CB 3.44Å; R67-Q71 PolarHBondContact O-N 3.4Å |
| 68 | L | 90.6 | Very high | 88.5 | Confident | 88 Ų | 88 | 96 Ų | 96 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.3 | -44.9 | 180 | -71.6 | 172.2 | 0 | 0 | 0 | 111.8 | V56 R64 H65 Q71 Y72 | V56-L68 HydrophobicContact CG1-CD2 4.2Å; V56-L68 HydrophobicContact CG1-CG 4.37Å; R64-L68 HydrophobicContact CG-CD1 4.17Å; R64-L68 WeakPolarHBondContact O-CG 3.4Å; R64-L68 PolarHBondContact O-N 2.91Å; H65-L68 PolarHBondContact O-N 3.15Å; H65-L68 VanDerWaalsContact O-N 3.17Å; L68-Q71 PolarHBondContact O-N 3.46Å; L68-Y72 PolarHBondContact O-N 3.42Å |
| 69 | I | 88.1 | Confident | 88 | Confident | 51 Ų | 51 | 89.5 Ų | 89.5 | 26% | 0.262 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 176.2 | -67.3 | -61.1 | 0 | 0 | 0 | 110.9 | H65 Q71 Y72 F73 L83 | H65-I69 VanDerWaalsContact CE1-CG1 3.41Å; H65-I69 WeakPolarHBondContact CE1-CG1 3.46Å; H65-I69 WeakPolarHBondContact O-CG1 3.47Å; H65-I69 PolarHBondContact O-N 3.41Å; I69-Q71 VanDerWaalsContact C-N 3.3Å; I69-Q71 PolarHBondContact O-N 3.02Å; I69-Y72 WeakPolarHBondContact O-CB 3.43Å; I69-Y72 PolarHBondContact O-N 3.49Å; I69-Y72 VanDerWaalsContact O-N 3.15Å; I69-F73 HydrophobicContact CG2-CD2 3.63Å; I69-F73 HydrophobicContact CG2-CE2 3.46Å; I69-F73 VanDerWaalsContact CG2-CE2 3.46Å; I69-F73 VanDerWaalsContact O-CD2 3.26Å; I69-F73 WeakPolarHBondContact O-CD2 3.41Å; I69-F73 PolarHBondContact O-N 2.99Å; I69-L83 HydrophobicContact CD1-CD1 4.38Å |
| 70 | N | 88.9 | Confident | 87.2 | Confident | 81 Ų | 81 | 88.4 Ų | 88.4 | 43% | 0.433 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 177.4 | -71.7 | -6.8 | 0 | 0 | 0 | 111.8 | K66 Y72 F73 L74 | K66-N70 WeakPolarHBondContact O-CB 3.49Å; K66-N70 PolarHBondContact O-N 2.99Å; K66-N70 PolarHBondContact O-ND2 3.3Å; K66-N70 PolarHBondContact O-OD1 3.48Å; N70-Y72 VanDerWaalsContact C-N 3.33Å; N70-Y72 PolarHBondContact O-N 3.04Å; N70-F73 PolarHBondContact O-N 2.99Å; N70-L74 VanDerWaalsContact O-CG 3.31Å; N70-L74 WeakPolarHBondContact O-CG 3.33Å; N70-L74 PolarHBondContact O-N 3.17Å |
| 71 | Q | 88 | Confident | 86.5 | Confident | 79 Ų | 79 | 87.9 Ų | 87.9 | 37% | 0.369 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 175.8 | -179 | 164.5 | -29.5 | 0 | 0 | 111.3 | R67 L68 I69 F73 L74 T75 | R67-Q71 VanDerWaalsContact NH1-OE1 3.13Å; R67-Q71 WeakPolarHBondContact O-CB 3.44Å; R67-Q71 PolarHBondContact O-N 3.4Å; L68-Q71 PolarHBondContact O-N 3.46Å; I69-Q71 VanDerWaalsContact C-N 3.3Å; I69-Q71 PolarHBondContact O-N 3.02Å; Q71-F73 PolarHBondContact O-N 3.14Å; Q71-L74 PolarHBondContact O-N 3.29Å; Q71-T75 HydrophobicContact CG-CG2 4.26Å; Q71-T75 WeakPolarHBondContact O-CG2 3.49Å; Q71-T75 PolarHBondContact O-N 3.33Å; Q71-T75 PolarHBondContact O-OG1 3.42Å; Q71-T75 VanDerWaalsContact O-OG1 3.14Å |
| 72 | Y | 86.3 | Confident | 85.8 | Confident | 70 Ų | 70 | 88.9 Ų | 88.9 | 28% | 0.275 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59 | -45.5 | 177.3 | 178.9 | -91.2 | 0 | 0 | 0 | 112.4 | L68 I69 N70 L74 T75 N76 S79 L83 | L68-Y72 PolarHBondContact O-N 3.42Å; I69-Y72 WeakPolarHBondContact O-CB 3.43Å; I69-Y72 PolarHBondContact O-N 3.49Å; I69-Y72 VanDerWaalsContact O-N 3.15Å; N70-Y72 VanDerWaalsContact C-N 3.33Å; N70-Y72 PolarHBondContact O-N 3.04Å; Y72-L74 VanDerWaalsContact C-N 3.32Å; Y72-L74 PolarHBondContact O-N 2.98Å; Y72-T75 PolarHBondContact O-N 3.47Å; Y72-T75 PolarHBondContact O-OG1 3.23Å; Y72-N76 PolarHBondContact O-N 3.16Å; Y72-N76 PolarHBondContact O-ND2 3.43Å; Y72-S79 WeakPolarHBondContact CE1-OG 3.41Å; Y72-S79 VanDerWaalsContact CZ-OG 3.3Å; Y72-S79 WeakPolarHBondContact OH-CB 3.38Å; Y72-S79 PolarHBondContact OH-OG 2.92Å; Y72-L83 HydrophobicContact CD1-CD1 3.39Å; Y72-L83 HydrophobicContact CD1-CG 4.09Å; Y72-L83 HydrophobicContact CE1-CD1 3.55Å; Y72-L83 HydrophobicContact CE1-CD2 4.25Å; Y72-L83 HydrophobicContact CE1-CG 3.72Å; Y72-L83 HydrophobicContact CG-CD1 4.39Å |
| 73 | F | 85.3 | Confident | 85 | Confident | 90 Ų | 90 | 85.1 Ų | 85.1 | 40% | 0.395 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.2 | -37.1 | 176.6 | -84.3 | -70.5 | 0 | 0 | 0 | 113 | I69 N70 Q71 L83 | I69-F73 HydrophobicContact CG2-CD2 3.63Å; I69-F73 HydrophobicContact CG2-CE2 3.46Å; I69-F73 VanDerWaalsContact CG2-CE2 3.46Å; I69-F73 VanDerWaalsContact O-CD2 3.26Å; I69-F73 WeakPolarHBondContact O-CD2 3.41Å; I69-F73 PolarHBondContact O-N 2.99Å; N70-F73 PolarHBondContact O-N 2.99Å; Q71-F73 PolarHBondContact O-N 3.14Å; F73-L83 HydrophobicContact CD2-CD1 4.4Å; F73-L83 HydrophobicContact CE1-CD1 4.47Å; F73-L83 HydrophobicContact CE2-CD1 3.82Å; F73-L83 HydrophobicContact CZ-CD1 3.85Å |
| 74 | L | 85.8 | Confident | 84.4 | Confident | 146 Ų | 146 | 89.2 Ų | 89.2 | 76% | 0.764 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -74.2 | -38.4 | 179.2 | -69.6 | 171.5 | 0 | 0 | 0 | 112.6 | N70 Q71 Y72 | N70-L74 VanDerWaalsContact O-CG 3.31Å; N70-L74 WeakPolarHBondContact O-CG 3.33Å; N70-L74 PolarHBondContact O-N 3.17Å; Q71-L74 PolarHBondContact O-N 3.29Å; Y72-L74 VanDerWaalsContact C-N 3.32Å; Y72-L74 PolarHBondContact O-N 2.98Å |
| 75 | T | 86.6 | Confident | 83.9 | Confident | 87 Ų | 87 | 93 Ų | 93 | 53% | 0.534 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -79.2 | -28.3 | -178.1 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | Q71 Y72 P77 | Q71-T75 HydrophobicContact CG-CG2 4.26Å; Q71-T75 WeakPolarHBondContact O-CG2 3.49Å; Q71-T75 PolarHBondContact O-N 3.33Å; Q71-T75 PolarHBondContact O-OG1 3.42Å; Q71-T75 VanDerWaalsContact O-OG1 3.14Å; Y72-T75 PolarHBondContact O-N 3.47Å; Y72-T75 PolarHBondContact O-OG1 3.23Å; T75-P77 VanDerWaalsContact C-CD 3.45Å; T75-P77 WeakPolarHBondContact O-CD 3.34Å |
| 76 | N | 82.9 | Confident | 83.6 | Confident | 71 Ų | 71 | 93 Ų | 93 | 38% | 0.38 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -121.4 | 72.1 | -176.3 | -57.5 | -71 | 0 | 0 | 0 | 110.8 | Y72 G78 S79 | Y72-N76 PolarHBondContact O-N 3.16Å; Y72-N76 PolarHBondContact O-ND2 3.43Å; N76-G78 PolarHBondContact O-N 3.49Å; N76-S79 WeakPolarHBondContact CB-OG 3.25Å; N76-S79 PolarHBondContact O-N 2.92Å; N76-S79 VanDerWaalsContact O-N 3.15Å; N76-S79 PolarHBondContact O-OG 3.12Å |
| 77 | P | 78.7 | Confident | 83.4 | Confident | 116 Ų | 116 | 92.4 Ų | 92.4 | 75% | 0.753 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 126.7 | 174.8 | 25.2 | -32.7 | 0 | 0 | 0 | 110 | T75 | T75-P77 VanDerWaalsContact C-CD 3.45Å; T75-P77 WeakPolarHBondContact O-CD 3.34Å |
| 78 | G | 78.1 | Confident | 83.3 | Confident | 65 Ų | 65 | 91.3 Ų | 91.3 | 67% | 0.67 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.8 | -11.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | N76 S80 | N76-G78 PolarHBondContact O-N 3.49Å; G78-S80 PolarHBondContact O-N 3.26Å |
| 79 | S | 76.1 | Confident | 83.1 | Confident | 16 Ų | 16 | 97.5 Ų | 97.5 | 11% | 0.112 | 52% | 0.517 | C | S | . | . | G | 310 helix | trans | -81.5 | 6.6 | 174.2 | 75.9 | 0 | 0 | 0 | 0 | 113.8 | Y72 N76 T81 I82 | Y72-S79 WeakPolarHBondContact CE1-OG 3.41Å; Y72-S79 VanDerWaalsContact CZ-OG 3.3Å; Y72-S79 WeakPolarHBondContact OH-CB 3.38Å; Y72-S79 PolarHBondContact OH-OG 2.92Å; N76-S79 WeakPolarHBondContact CB-OG 3.25Å; N76-S79 PolarHBondContact O-N 2.92Å; N76-S79 VanDerWaalsContact O-N 3.15Å; N76-S79 PolarHBondContact O-OG 3.12Å; S79-T81 PolarHBondContact O-N 3.06Å; S79-T81 VanDerWaalsContact O-N 3.14Å; S79-I82 WeakPolarHBondContact O-CB 3.12Å; S79-I82 PolarHBondContact O-N 3.35Å |
| 80 | S | 74.9 | Confident | 83.2 | Confident | 48 Ų | 48 | 98.3 Ų | 98.3 | 34% | 0.336 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -56.1 | -32.1 | -178.9 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | G78 I82 L83 Q84 | G78-S80 PolarHBondContact O-N 3.26Å; S80-I82 VanDerWaalsContact C-N 3.27Å; S80-I82 PolarHBondContact O-N 3.36Å; S80-L83 PolarHBondContact O-N 3.22Å; S80-Q84 PolarHBondContact O-N 2.75Å |
| 81 | T | 76.9 | Confident | 83.2 | Confident | 90 Ų | 90 | 102 Ų | 102 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -65.6 | -28.1 | 178.9 | 52.5 | 0 | 0 | 0 | 0 | 112.9 | S79 L83 Q84 | S79-T81 PolarHBondContact O-N 3.06Å; S79-T81 VanDerWaalsContact O-N 3.14Å; T81-L83 VanDerWaalsContact C-N 3.29Å; T81-L83 PolarHBondContact O-N 3.46Å; T81-Q84 WeakPolarHBondContact O-CB 3.43Å; T81-Q84 PolarHBondContact O-N 3.06Å |
| 82 | I | 78.1 | Confident | 83.4 | Confident | 125 Ų | 125 | 101.5 Ų | 101.5 | 64% | 0.641 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -69.6 | -31.9 | 179 | -55.9 | 177.2 | 0 | 0 | 0 | 110.8 | S79 S80 | S79-I82 WeakPolarHBondContact O-CB 3.12Å; S79-I82 PolarHBondContact O-N 3.35Å; S80-I82 VanDerWaalsContact C-N 3.27Å; S80-I82 PolarHBondContact O-N 3.36Å |
| 83 | L | 77 | Confident | 83.8 | Confident | 73 Ų | 73 | 102.9 Ų | 102.9 | 38% | 0.382 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -87.4 | -4.7 | 177.7 | -63.1 | -176.7 | 0 | 0 | 0 | 113.2 | I69 Y72 F73 S80 T81 R85 | I69-L83 HydrophobicContact CD1-CD1 4.38Å; Y72-L83 HydrophobicContact CD1-CD1 3.39Å; Y72-L83 HydrophobicContact CD1-CG 4.09Å; Y72-L83 HydrophobicContact CE1-CD1 3.55Å; Y72-L83 HydrophobicContact CE1-CD2 4.25Å; Y72-L83 HydrophobicContact CE1-CG 3.72Å; Y72-L83 HydrophobicContact CG-CD1 4.39Å; F73-L83 HydrophobicContact CD2-CD1 4.4Å; F73-L83 HydrophobicContact CE1-CD1 4.47Å; F73-L83 HydrophobicContact CE2-CD1 3.82Å; F73-L83 HydrophobicContact CZ-CD1 3.85Å; S80-L83 PolarHBondContact O-N 3.22Å; T81-L83 VanDerWaalsContact C-N 3.29Å; T81-L83 PolarHBondContact O-N 3.46Å; L83-R85 PolarHBondContact O-N 3.25Å; L83-R85 VanDerWaalsContact O-N 3.12Å |
| 84 | Q | 80.7 | Confident | 84.1 | Confident | 140 Ų | 140 | 102.7 Ų | 102.7 | 65% | 0.654 | 55% | 0.551 | S | S | * | * | trans | -68 | 113.8 | 175 | -71.9 | -176.7 | -1 | 0 | 0 | 108.8 | S80 T81 | S80-Q84 PolarHBondContact O-N 2.75Å; T81-Q84 WeakPolarHBondContact O-CB 3.43Å; T81-Q84 PolarHBondContact O-N 3.06Å | ||
| 85 | R | 83 | Confident | 84.5 | Confident | 180 Ų | 180 | 98.7 Ų | 98.7 | 68% | 0.679 | 53% | 0.53 | S | S | * | . | trans | -62.8 | 136.3 | 171.9 | 173.3 | -179.5 | 172.7 | 171.4 | 1.8 | 109.4 | L83 T87 D90 | L83-R85 PolarHBondContact O-N 3.25Å; L83-R85 VanDerWaalsContact O-N 3.12Å; R85-T87 PolarHBondContact O-N 3.07Å; R85-D90 IonicContact CZ-OD1 3.03Å; R85-D90 IonicContact CZ-OD2 3.7Å; R85-D90 IonicContact NE-OD1 3.05Å; R85-D90 IonicContact NE-OD2 3.55Å; R85-D90 PolarHBondContact NE-OD2 2.67Å; R85-D90 VanDerWaalsContact NE-OD2 3.16Å; R85-D90 IonicContact NH2-OD1 3.2Å; R85-D90 PolarHBondContact NH2-OD1 3.15Å; R85-D90 IonicContact NH2-OD2 3.5Å; R85-D90 PolarHBondContact NH2-OD2 2.9Å | ||
| 86 | D | 86.6 | Confident | 84.9 | Confident | 112 Ų | 112 | 95.4 Ų | 95.4 | 60% | 0.599 | 51% | 0.509 | S | S | * | . | trans | -70.4 | 111 | 165.8 | -178.6 | 7.7 | 0 | 0 | 0 | 109.7 | S88 | D86-S88 VanDerWaalsContact CG-OG 3.26Å; D86-S88 WeakPolarHBondContact OD1-CB 3.38Å; D86-S88 PolarHBondContact OD1-N 3.05Å; D86-S88 PolarHBondContact OD1-OG 2.73Å; D86-S88 PolarHBondContact OD2-OG 3.16Å | ||
| 87 | T | 87.6 | Confident | 85.4 | Confident | 97 Ų | 97 | 93.4 Ų | 93.4 | 60% | 0.595 | 50% | 0.498 | S | S | * | . | trans | -95.5 | 3.3 | 178.3 | 60 | 0 | 0 | 0 | 0 | 112.7 | R85 R89 D90 | R85-T87 PolarHBondContact O-N 3.07Å; T87-R89 PolarHBondContact O-N 3.27Å; T87-D90 PolarHBondContact O-N 3.23Å | ||
| 88 | S | 88.7 | Confident | 86.1 | Confident | 92 Ų | 92 | 96 Ų | 96 | 64% | 0.643 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -27.4 | -173.4 | 65.3 | 0 | 0 | 0 | 0 | 113.7 | D86 | D86-S88 VanDerWaalsContact CG-OG 3.26Å; D86-S88 WeakPolarHBondContact OD1-CB 3.38Å; D86-S88 PolarHBondContact OD1-N 3.05Å; D86-S88 PolarHBondContact OD1-OG 2.73Å; D86-S88 PolarHBondContact OD2-OG 3.16Å |
| 89 | R | 87.1 | Confident | 86.7 | Confident | 218 Ų | 218 | 96.8 Ų | 96.8 | 82% | 0.823 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | 2.4 | -178.5 | -61.1 | -177.1 | 67.4 | 131.6 | 0.5 | 113.7 | T87 K91 | T87-R89 PolarHBondContact O-N 3.27Å; R89-K91 PolarHBondContact O-N 3.21Å |
| 90 | D | 88.8 | Confident | 87.5 | Confident | 69 Ų | 69 | 98.3 Ų | 98.3 | 37% | 0.369 | 50% | 0.495 | S | S | . | . | trans | -69.8 | 127.3 | -179.8 | -73.1 | -14.2 | 0 | 0 | 0 | 109.3 | R85 T87 | R85-D90 IonicContact CZ-OD1 3.03Å; R85-D90 IonicContact CZ-OD2 3.7Å; R85-D90 IonicContact NE-OD1 3.05Å; R85-D90 IonicContact NE-OD2 3.55Å; R85-D90 PolarHBondContact NE-OD2 2.67Å; R85-D90 VanDerWaalsContact NE-OD2 3.16Å; R85-D90 IonicContact NH2-OD1 3.2Å; R85-D90 PolarHBondContact NH2-OD1 3.15Å; R85-D90 IonicContact NH2-OD2 3.5Å; R85-D90 PolarHBondContact NH2-OD2 2.9Å; T87-D90 PolarHBondContact O-N 3.23Å | ||
| 91 | K | 90.1 | Very high | 88.3 | Confident | 158 Ų | 158 | 99 Ų | 99 | 69% | 0.687 | 50% | 0.5 | S | S | * | . | trans | -111.5 | 123.2 | 173.4 | -66.2 | -175.3 | 178.5 | -177.1 | 0 | 108.3 | R89 L96 | R89-K91 PolarHBondContact O-N 3.21Å; K91-L96 HydrophobicContact CB-CD2 3.79Å; K91-L96 HydrophobicContact CB-CG 4.24Å; K91-L96 HydrophobicContact CD-CD2 3.67Å; K91-L96 HydrophobicContact CG-CD2 4.37Å | ||
| 92 | T | 92.7 | Very high | 89 | Confident | 68 Ų | 68 | 96.6 Ų | 96.6 | 42% | 0.417 | 48% | 0.482 | S | S | . | . | trans | -76.8 | 157.7 | 172.5 | 67.4 | 0 | 0 | 0 | 0 | 110.2 | I94 D95 L96 | T92-I94 PolarHBondContact O-N 3.02Å; T92-D95 PolarHBondContact N-OD2 3.48Å; T92-D95 PolarHBondContact O-N 3.39Å; T92-D95 PolarHBondContact OG1-N 3.18Å; T92-D95 PolarHBondContact OG1-OD2 3.04Å; T92-L96 WeakPolarHBondContact O-CG 3.35Å; T92-L96 PolarHBondContact O-N 2.64Å | ||
| 93 | D | 93 | Very high | 89.7 | Confident | 99 Ų | 99 | 92 Ų | 92 | 53% | 0.529 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -51.6 | -40.4 | 171.1 | 57.8 | -17.6 | 0 | 0 | 0 | 112.3 | D95 L96 I97 L118 | D93-D95 PolarHBondContact O-N 3.39Å; D93-L96 PolarHBondContact O-N 3.26Å; D93-I97 VanDerWaalsContact O-CG1 3.29Å; D93-I97 WeakPolarHBondContact O-CG1 3.42Å; D93-I97 PolarHBondContact O-N 3.24Å; D93-L118 HydrophobicContact CB-CD2 4.27Å |
| 94 | I | 93.3 | Very high | 90.4 | Very high | 87 Ų | 87 | 91.4 Ų | 91.4 | 45% | 0.446 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 175.8 | -63.8 | 168.3 | 0 | 0 | 0 | 111.2 | T92 I97 R98 | T92-I94 PolarHBondContact O-N 3.02Å; I94-I97 PolarHBondContact O-N 3.04Å; I94-R98 VanDerWaalsContact O-CG 3.3Å; I94-R98 WeakPolarHBondContact O-CG 3.39Å; I94-R98 PolarHBondContact O-N 2.97Å |
| 95 | D | 93.7 | Very high | 90.9 | Very high | 62 Ų | 62 | 86 Ų | 86 | 33% | 0.332 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.1 | -38.6 | 178.8 | -59.7 | -41.8 | 0 | 0 | 0 | 111.7 | T92 D93 I97 R98 S99 | T92-D95 PolarHBondContact N-OD2 3.48Å; T92-D95 PolarHBondContact O-N 3.39Å; T92-D95 PolarHBondContact OG1-N 3.18Å; T92-D95 PolarHBondContact OG1-OD2 3.04Å; D93-D95 PolarHBondContact O-N 3.39Å; D95-I97 VanDerWaalsContact C-N 3.35Å; D95-R98 PolarHBondContact O-N 3.31Å; D95-R98 IonicContact OD1-NH1 3.16Å; D95-R98 PolarHBondContact OD1-NH1 3.02Å; D95-S99 WeakPolarHBondContact O-CB 3.29Å; D95-S99 PolarHBondContact O-N 3.1Å; D95-S99 PolarHBondContact O-OG 3.45Å |
| 96 | L | 94.2 | Very high | 91.1 | Very high | 18 Ų | 18 | 85.4 Ų | 85.4 | 9% | 0.094 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.1 | -38.9 | 176.2 | -60.7 | 178.1 | 0 | 0 | 0 | 112.2 | K91 T92 D93 S99 N100 W114 E115 | K91-L96 HydrophobicContact CB-CD2 3.79Å; K91-L96 HydrophobicContact CB-CG 4.24Å; K91-L96 HydrophobicContact CD-CD2 3.67Å; K91-L96 HydrophobicContact CG-CD2 4.37Å; T92-L96 WeakPolarHBondContact O-CG 3.35Å; T92-L96 PolarHBondContact O-N 2.64Å; D93-L96 PolarHBondContact O-N 3.26Å; L96-S99 PolarHBondContact O-OG 2.93Å; L96-S99 VanDerWaalsContact O-OG 3.06Å; L96-N100 PolarHBondContact O-N 2.57Å; L96-N100 PolarHBondContact O-ND2 2.73Å; L96-W114 HydrophobicContact CD1-CZ3 3.7Å; L96-E115 HydrophobicContact CB-CG 4.34Å; L96-E115 HydrophobicContact CD1-CG 4.15Å; L96-E115 HydrophobicContact CD2-CG 3.88Å; L96-E115 HydrophobicContact CG-CG 4.34Å |
| 97 | I | 94.4 | Very high | 91 | Very high | 28 Ų | 28 | 88.1 Ų | 88.1 | 14% | 0.144 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -66.2 | -48 | 174.4 | -68.2 | 164.7 | 0 | 0 | 0 | 109.5 | D93 I94 D95 S99 N100 S101 L118 Y122 | D93-I97 VanDerWaalsContact O-CG1 3.29Å; D93-I97 WeakPolarHBondContact O-CG1 3.42Å; D93-I97 PolarHBondContact O-N 3.24Å; I94-I97 PolarHBondContact O-N 3.04Å; D95-I97 VanDerWaalsContact C-N 3.35Å; I97-S99 VanDerWaalsContact C-N 3.29Å; I97-S99 PolarHBondContact O-N 2.79Å; I97-N100 PolarHBondContact O-N 2.82Å; I97-S101 WeakPolarHBondContact O-CA 3.44Å; I97-S101 WeakPolarHBondContact O-CB 3.3Å; I97-S101 PolarHBondContact O-N 3.34Å; I97-S101 PolarHBondContact O-OG 2.93Å; I97-L118 HydrophobicContact CD1-CD2 4.36Å; I97-L118 HydrophobicContact CD1-CG 4.22Å; I97-L118 HydrophobicContact CG1-CD2 4.06Å; I97-L118 HydrophobicContact CG1-CG 3.96Å; I97-Y122 HydrophobicContact CD1-CD2 4.43Å; I97-Y122 HydrophobicContact CD1-CG 4.38Å; I97-Y122 HydrophobicContact CG2-CD1 3.9Å; I97-Y122 HydrophobicContact CG2-CE1 4.41Å; I97-Y122 HydrophobicContact CG2-CG 4.18Å |
| 98 | R | 92.4 | Very high | 90.8 | Very high | 172 Ų | 172 | 90.7 Ų | 90.7 | 65% | 0.649 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.2 | -36.9 | 178.8 | -73.9 | 173.4 | -174 | 156 | -0.9 | 112.9 | I94 D95 S101 | I94-R98 VanDerWaalsContact O-CG 3.3Å; I94-R98 WeakPolarHBondContact O-CG 3.39Å; I94-R98 PolarHBondContact O-N 2.97Å; D95-R98 PolarHBondContact O-N 3.31Å; D95-R98 IonicContact OD1-NH1 3.16Å; D95-R98 PolarHBondContact OD1-NH1 3.02Å; R98-S101 PolarHBondContact O-OG 3.39Å |
| 99 | S | 92.3 | Very high | 90.6 | Very high | 80 Ų | 80 | 88 Ų | 88 | 56% | 0.559 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -75.8 | -29.3 | -178.9 | 64.5 | 0 | 0 | 0 | 0 | 113.6 | D95 L96 I97 | D95-S99 WeakPolarHBondContact O-CB 3.29Å; D95-S99 PolarHBondContact O-N 3.1Å; D95-S99 PolarHBondContact O-OG 3.45Å; L96-S99 PolarHBondContact O-OG 2.93Å; L96-S99 VanDerWaalsContact O-OG 3.06Å; I97-S99 VanDerWaalsContact C-N 3.29Å; I97-S99 PolarHBondContact O-N 2.79Å |
| 100 | N | 92.3 | Very high | 90.4 | Very high | 49 Ų | 49 | 83.7 Ų | 83.7 | 26% | 0.262 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -114 | 4.3 | -174.9 | -60.5 | -71.9 | 0 | 0 | 0 | 113.5 | L96 I97 K102 E115 K116 A119 | L96-N100 PolarHBondContact O-N 2.57Å; L96-N100 PolarHBondContact O-ND2 2.73Å; I97-N100 PolarHBondContact O-N 2.82Å; N100-K102 PolarHBondContact O-N 3.33Å; N100-E115 VanDerWaalsContact ND2-CB 3.32Å; N100-E115 WeakPolarHBondContact ND2-CB 3.14Å; N100-K116 HydrophobicContact CB-CG 4.35Å; N100-A119 HydrophobicContact CB-CB 4.14Å |
| 101 | S | 91.3 | Very high | 90.3 | Very high | 63 Ų | 63 | 80.5 Ų | 80.5 | 44% | 0.441 | 40% | 0.401 | S | S | . | . | trans | -70.7 | 124 | -179.6 | 56.9 | 0 | 0 | 0 | 0 | 110.3 | I97 R98 | I97-S101 WeakPolarHBondContact O-CA 3.44Å; I97-S101 WeakPolarHBondContact O-CB 3.3Å; I97-S101 PolarHBondContact O-N 3.34Å; I97-S101 PolarHBondContact O-OG 2.93Å; R98-S101 PolarHBondContact O-OG 3.39Å | ||
| 102 | K | 91.7 | Very high | 90.2 | Very high | 39 Ų | 39 | 78.4 Ų | 78.4 | 17% | 0.17 | 40% | 0.397 | C | S | . | . | trans | -93.6 | 146.2 | 166 | -65.8 | -179.3 | 171.5 | 177.4 | 0 | 111.5 | N100 W105 D109 E184 | N100-K102 PolarHBondContact O-N 3.33Å; K102-W105 HydrophobicContact CB-CD2 4.42Å; K102-W105 HydrophobicContact CB-CG 4.43Å; K102-W105 HydrophobicContact CD-CD2 4.27Å; K102-W105 HydrophobicContact CD-CE3 4.32Å; K102-W105 HydrophobicContact CD-CZ2 4.46Å; K102-W105 HydrophobicContact CD-CZ3 4.44Å; K102-W105 HydrophobicContact CG-CZ2 4.38Å; K102-D109 IonicContact NZ-OD1 2.7Å; K102-D109 PolarHBondContact NZ-OD1 2.83Å; K102-D109 IonicContact NZ-OD2 3.66Å; K102-E184 WeakPolarHBondContact CA-OE1 3.2Å; K102-E184 WeakPolarHBondContact CB-OE1 3.33Å | ||
| 103 | F | 92.1 | Very high | 90.3 | Very high | 28 Ų | 28 | 78.4 Ų | 78.4 | 12% | 0.123 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -68.1 | -40.3 | 175 | -176.8 | -103.5 | 0 | 0 | 0 | 112 | Y123 W147 F180 Y182 E184 A191 V193 | F103-Y123 WeakPolarHBondContact O-CE2 3.39Å; F103-W147 AromaticContact CE1-CZ2 3.92Å; F103-W147 HydrophobicContact CE1-CZ2 3.92Å; F103-W147 HydrophobicContact CE2-CZ2 4.43Å; F103-W147 AromaticContact CE2-NE1 3.76Å; F103-W147 AromaticContact CZ-CE2 3.86Å; F103-W147 AromaticContact CZ-CZ2 3.72Å; F103-W147 HydrophobicContact CZ-CZ2 3.72Å; F103-W147 AromaticContact CZ-NE1 3.91Å; F103-W147 PolarHBondContact O-NE1 3.12Å; F103-F180 HydrophobicContact CD1-CD1 4.19Å; F103-F180 HydrophobicContact CD1-CE1 4.32Å; F103-F180 HydrophobicContact CD2-CE1 4.1Å; F103-F180 AromaticContact CE1-CD1 3.81Å; F103-F180 HydrophobicContact CE1-CD1 3.81Å; F103-F180 HydrophobicContact CE1-CE1 4.24Å; F103-F180 HydrophobicContact CE2-CD1 4.24Å; F103-F180 HydrophobicContact CE2-CE1 4Å; F103-F180 HydrophobicContact CG-CE1 4.27Å; F103-F180 AromaticContact CZ-CD1 3.84Å; F103-F180 HydrophobicContact CZ-CD1 3.84Å; F103-F180 HydrophobicContact CZ-CE1 4.09Å; F103-Y182 HydrophobicContact CB-CD2 4.26Å; F103-Y182 HydrophobicContact CB-CE1 4.42Å; F103-Y182 HydrophobicContact CB-CE2 3.71Å; F103-Y182 HydrophobicContact CD1-CD1 4.32Å; F103-Y182 AromaticContact CD1-CE1 3.66Å; F103-Y182 HydrophobicContact CD1-CE1 3.66Å; F103-Y182 HydrophobicContact CD1-CE2 4.47Å; F103-Y182 AromaticContact CD1-CZ 3.75Å; F103-Y182 HydrophobicContact CE1-CE1 4.37Å; F103-Y182 HydrophobicContact CG-CE1 4.29Å; F103-Y182 HydrophobicContact CG-CE2 4.42Å; F103-E184 PolarHBondContact N-OE1 3.27Å; F103-A191 HydrophobicContact CD1-CB 4.37Å; F103-A191 HydrophobicContact CE1-CB 3.96Å; F103-V193 HydrophobicContact CE1-CG2 3.97Å; F103-V193 HydrophobicContact CZ-CG2 3.89Å |
| 104 | L | 92.5 | Very high | 90.3 | Very high | 60 Ų | 60 | 81.1 Ų | 81.1 | 31% | 0.314 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -132 | 121.6 | 171.8 | -71.5 | 173.8 | 0 | 0 | 0 | 109 | W147 A191 | L104-W147 HydrophobicContact CD2-CZ2 3.9Å; L104-A191 HydrophobicContact CD1-CB 3.66Å |
| 105 | W | 91.4 | Very high | 90.3 | Very high | 26 Ų | 26 | 80 Ų | 80 | 10% | 0.098 | 39% | 0.393 | C | S | . | . | trans | -84.4 | 127.7 | 165.8 | -71 | 78.6 | 0 | 0 | 0 | 109 | K102 D109 A111 K116 A119 K120 Y123 | K102-W105 HydrophobicContact CB-CD2 4.42Å; K102-W105 HydrophobicContact CB-CG 4.43Å; K102-W105 HydrophobicContact CD-CD2 4.27Å; K102-W105 HydrophobicContact CD-CE3 4.32Å; K102-W105 HydrophobicContact CD-CZ2 4.46Å; K102-W105 HydrophobicContact CD-CZ3 4.44Å; K102-W105 HydrophobicContact CG-CZ2 4.38Å; W105-D109 HydrophobicContact CE3-CB 3.79Å; W105-D109 HydrophobicContact CZ3-CB 4.22Å; W105-A111 HydrophobicContact CZ3-CB 4.46Å; W105-K116 HydrophobicContact CH2-CB 4.19Å; W105-A119 HydrophobicContact CZ2-CB 4.19Å; W105-K120 HydrophobicContact CD2-CB 4.4Å; W105-K120 HydrophobicContact CD2-CG 4.31Å; W105-K120 HydrophobicContact CE3-CB 4.48Å; W105-K120 HydrophobicContact CE3-CD 4.23Å; W105-K120 HydrophobicContact CE3-CG 4.33Å; W105-K120 HydrophobicContact CH2-CB 4.22Å; W105-K120 HydrophobicContact CZ2-CB 4.12Å; W105-K120 HydrophobicContact CZ3-CB 4.39Å; W105-K120 HydrophobicContact CZ3-CD 4.39Å; W105-Y123 HydrophobicContact CB-CD1 4.02Å; W105-Y123 HydrophobicContact CB-CE1 3.78Å; W105-Y123 AromaticContact CD1-CD1 3.4Å; W105-Y123 AromaticContact CD1-CD2 3.64Å; W105-Y123 AromaticContact CD1-CE1 3.83Å; W105-Y123 AromaticContact CD1-CG 3.28Å; W105-Y123 AromaticContact CG-CD1 3.92Å; W105-Y123 HydrophobicContact CG-CD1 3.92Å; W105-Y123 HydrophobicContact CG-CE1 4.14Å; W105-Y123 HydrophobicContact CG-CG 4.23Å; W105-Y123 AromaticContact NE1-CG 3.87Å | ||
| 106 | R | 86.8 | Confident | 90.2 | Very high | 169 Ų | 169 | 80.1 Ų | 80.1 | 64% | 0.638 | 39% | 0.391 | S | S | * | . | trans | -90.8 | 159.7 | 169.5 | -61.3 | -177.7 | -179.5 | 176.1 | 1.1 | 109.7 | D108 D109 | R106-D108 PolarHBondContact O-N 3.06Å; R106-D109 PolarHBondContact N-OD2 3.19Å; R106-D109 WeakPolarHBondContact O-CB 3.48Å; R106-D109 PolarHBondContact O-N 2.93Å | ||
| 107 | D | 84.1 | Confident | 90.2 | Very high | 168 Ų | 168 | 84.1 Ų | 84.1 | 90% | 0.898 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -27.7 | 177.9 | -61.5 | -36.4 | 0 | 0 | 0 | 112.1 | D109 | D107-D109 VanDerWaalsContact C-N 3.27Å; D107-D109 PolarHBondContact O-N 3.21Å |
| 108 | D | 84.5 | Confident | 90.3 | Very high | 151 Ų | 151 | 84.6 Ų | 84.6 | 81% | 0.807 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -13.4 | 175.2 | -55.2 | -38.6 | 0 | 0 | 0 | 113.6 | R106 E110 | R106-D108 PolarHBondContact O-N 3.06Å; D108-E110 PolarHBondContact O-N 3.08Å; D108-E110 VanDerWaalsContact O-N 3.16Å |
| 109 | D | 84.3 | Confident | 90.4 | Very high | 36 Ų | 36 | 76.5 Ų | 76.5 | 19% | 0.193 | 38% | 0.379 | C | S | . | . | trans | -80.8 | 96.6 | -179.3 | -70.8 | -56.5 | 0 | 0 | 0 | 110.7 | K102 W105 R106 D107 | K102-D109 IonicContact NZ-OD1 2.7Å; K102-D109 PolarHBondContact NZ-OD1 2.83Å; K102-D109 IonicContact NZ-OD2 3.66Å; W105-D109 HydrophobicContact CE3-CB 3.79Å; W105-D109 HydrophobicContact CZ3-CB 4.22Å; R106-D109 PolarHBondContact N-OD2 3.19Å; R106-D109 WeakPolarHBondContact O-CB 3.48Å; R106-D109 PolarHBondContact O-N 2.93Å; D107-D109 VanDerWaalsContact C-N 3.27Å; D107-D109 PolarHBondContact O-N 3.21Å | ||
| 110 | E | 82.8 | Confident | 90.5 | Very high | 127 Ų | 127 | 75.3 Ų | 75.3 | 59% | 0.593 | 36% | 0.364 | S | S | * | . | trans | -77.5 | 138.6 | 173.5 | -169.4 | 53.1 | -103 | 0 | 0 | 111.8 | D108 D112 | D108-E110 PolarHBondContact O-N 3.08Å; D108-E110 VanDerWaalsContact O-N 3.16Å; E110-D112 PolarHBondContact O-N 3.33Å | ||
| 111 | A | 86.1 | Confident | 90.6 | Very high | 3 Ų | 3 | 81.2 Ų | 81.2 | 3% | 0.025 | 38% | 0.383 | C | S | . | . | trans | -95.7 | 80.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | W105 K116 K117 K120 | W105-A111 HydrophobicContact CZ3-CB 4.46Å; A111-K116 HydrophobicContact CB-CB 4.03Å; A111-K117 HydrophobicContact CB-CB 4.46Å; A111-K117 HydrophobicContact CB-CG 3.69Å; A111-K117 WeakPolarHBondContact O-CE 3.37Å; A111-K117 VanDerWaalsContact O-CG 3.31Å; A111-K117 WeakPolarHBondContact O-CG 3.4Å; A111-K120 HydrophobicContact CB-CD 4.13Å | ||
| 112 | D | 88.8 | Confident | 90.7 | Very high | 114 Ų | 114 | 83.4 Ų | 83.4 | 61% | 0.61 | 38% | 0.382 | S | S | * | . | trans | -64.1 | -48.5 | -175.7 | -51.6 | -48.3 | 0 | 0 | 0 | 112.5 | E110 | E110-D112 PolarHBondContact O-N 3.33Š| ||
| 113 | T | 93.3 | Very high | 90.9 | Very high | 67 Ų | 67 | 82.9 Ų | 82.9 | 41% | 0.411 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -88.5 | 149.6 | -174.6 | -20.6 | 0 | 0 | 0 | 0 | 111.3 | E115 K116 K117 | T113-E115 WeakPolarHBondContact CB-OE2 3.46Å; T113-E115 WeakPolarHBondContact CG2-OE2 3.22Å; T113-E115 PolarHBondContact O-N 3.47Å; T113-K116 WeakPolarHBondContact O-CB 3.45Å; T113-K116 PolarHBondContact O-N 3.1Å; T113-K116 VanDerWaalsContact O-N 3.08Å; T113-K117 PolarHBondContact O-N 2.9Å |
| 114 | W | 93.4 | Very high | 91 | Very high | 157 Ų | 157 | 87.3 Ų | 87.3 | 60% | 0.595 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -57.4 | -36.6 | 178.7 | 177.6 | 88.4 | 0 | 0 | 0 | 112.2 | L96 K117 L118 | L96-W114 HydrophobicContact CD1-CZ3 3.7Å; W114-K117 WeakPolarHBondContact O-CB 3.22Å; W114-K117 PolarHBondContact O-N 3.17Å; W114-L118 HydrophobicContact CH2-CD2 3.93Å; W114-L118 HydrophobicContact CZ3-CD2 4.13Å; W114-L118 PolarHBondContact O-N 3.04Å |
| 115 | E | 93.5 | Very high | 91.1 | Very high | 63 Ų | 63 | 90.6 Ų | 90.6 | 29% | 0.294 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 176.9 | -60.3 | 80.2 | 173.5 | 0 | 0 | 111.9 | L96 N100 T113 K117 L118 A119 | L96-E115 HydrophobicContact CB-CG 4.34Å; L96-E115 HydrophobicContact CD1-CG 4.15Å; L96-E115 HydrophobicContact CD2-CG 3.88Å; L96-E115 HydrophobicContact CG-CG 4.34Å; N100-E115 VanDerWaalsContact ND2-CB 3.32Å; N100-E115 WeakPolarHBondContact ND2-CB 3.14Å; T113-E115 WeakPolarHBondContact CB-OE2 3.46Å; T113-E115 WeakPolarHBondContact CG2-OE2 3.22Å; T113-E115 PolarHBondContact O-N 3.47Å; E115-K117 VanDerWaalsContact C-N 3.34Å; E115-L118 WeakPolarHBondContact O-CB 2.89Å; E115-L118 PolarHBondContact O-N 3.09Å; E115-A119 PolarHBondContact O-N 3.21Å |
| 116 | K | 92.9 | Very high | 91.3 | Very high | 65 Ų | 65 | 90.4 Ų | 90.4 | 28% | 0.283 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 173.2 | -71.5 | -176 | -179.9 | 178.5 | 0 | 110.8 | N100 W105 A111 T113 L118 A119 K120 | N100-K116 HydrophobicContact CB-CG 4.35Å; W105-K116 HydrophobicContact CH2-CB 4.19Å; A111-K116 HydrophobicContact CB-CB 4.03Å; T113-K116 WeakPolarHBondContact O-CB 3.45Å; T113-K116 PolarHBondContact O-N 3.1Å; T113-K116 VanDerWaalsContact O-N 3.08Å; K116-L118 VanDerWaalsContact C-N 3.32Å; K116-L118 PolarHBondContact O-N 3.24Å; K116-A119 PolarHBondContact O-N 3.25Å; K116-K120 WeakPolarHBondContact O-CB 3.38Å; K116-K120 PolarHBondContact O-N 2.92Å |
| 117 | K | 94.1 | Very high | 91.7 | Very high | 102 Ų | 102 | 87.1 Ų | 87.1 | 44% | 0.443 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 175.1 | -66.1 | 178.3 | -175.4 | -179.5 | 0 | 111.5 | A111 T113 W114 E115 K120 R121 | A111-K117 HydrophobicContact CB-CB 4.46Å; A111-K117 HydrophobicContact CB-CG 3.69Å; A111-K117 WeakPolarHBondContact O-CE 3.37Å; A111-K117 VanDerWaalsContact O-CG 3.31Å; A111-K117 WeakPolarHBondContact O-CG 3.4Å; T113-K117 PolarHBondContact O-N 2.9Å; W114-K117 WeakPolarHBondContact O-CB 3.22Å; W114-K117 PolarHBondContact O-N 3.17Å; E115-K117 VanDerWaalsContact C-N 3.34Å; K117-K120 PolarHBondContact O-N 3.38Å; K117-R121 VanDerWaalsContact O-CG 3.31Å; K117-R121 WeakPolarHBondContact O-CG 3.4Å; K117-R121 PolarHBondContact O-N 3.1Å |
| 118 | L | 95 | Very high | 92.1 | Very high | 37 Ų | 37 | 83 Ų | 83 | 19% | 0.194 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 174.9 | -179 | 64.5 | 0 | 0 | 0 | 111.5 | D93 I97 W114 E115 K116 K120 R121 Y122 | D93-L118 HydrophobicContact CB-CD2 4.27Å; I97-L118 HydrophobicContact CD1-CD2 4.36Å; I97-L118 HydrophobicContact CD1-CG 4.22Å; I97-L118 HydrophobicContact CG1-CD2 4.06Å; I97-L118 HydrophobicContact CG1-CG 3.96Å; W114-L118 HydrophobicContact CH2-CD2 3.93Å; W114-L118 HydrophobicContact CZ3-CD2 4.13Å; W114-L118 PolarHBondContact O-N 3.04Å; E115-L118 WeakPolarHBondContact O-CB 2.89Å; E115-L118 PolarHBondContact O-N 3.09Å; K116-L118 VanDerWaalsContact C-N 3.32Å; K116-L118 PolarHBondContact O-N 3.24Å; L118-K120 PolarHBondContact O-N 2.98Å; L118-R121 PolarHBondContact O-N 3.13Å; L118-Y122 PolarHBondContact O-N 3.36Å |
| 119 | A | 94.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 81.9 Ų | 81.9 | 2% | 0.017 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N100 W105 E115 K116 Y122 Y123 | N100-A119 HydrophobicContact CB-CB 4.14Å; W105-A119 HydrophobicContact CZ2-CB 4.19Å; E115-A119 PolarHBondContact O-N 3.21Å; K116-A119 PolarHBondContact O-N 3.25Å; A119-Y122 PolarHBondContact O-N 3.19Å; A119-Y123 PolarHBondContact O-N 2.88Å |
| 120 | K | 94.3 | Very high | 93 | Very high | 55 Ų | 55 | 82.4 Ų | 82.4 | 24% | 0.239 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 175.6 | -172.4 | 172.4 | -178.6 | 169.4 | 0 | 111.8 | W105 A111 K116 K117 L118 Y122 Y123 E124 | W105-K120 HydrophobicContact CD2-CB 4.4Å; W105-K120 HydrophobicContact CD2-CG 4.31Å; W105-K120 HydrophobicContact CE3-CB 4.48Å; W105-K120 HydrophobicContact CE3-CD 4.23Å; W105-K120 HydrophobicContact CE3-CG 4.33Å; W105-K120 HydrophobicContact CH2-CB 4.22Å; W105-K120 HydrophobicContact CZ2-CB 4.12Å; W105-K120 HydrophobicContact CZ3-CB 4.39Å; W105-K120 HydrophobicContact CZ3-CD 4.39Å; A111-K120 HydrophobicContact CB-CD 4.13Å; K116-K120 WeakPolarHBondContact O-CB 3.38Å; K116-K120 PolarHBondContact O-N 2.92Å; K117-K120 PolarHBondContact O-N 3.38Å; L118-K120 PolarHBondContact O-N 2.98Å; K120-Y122 VanDerWaalsContact C-N 3.29Å; K120-Y122 PolarHBondContact O-N 3.27Å; K120-Y123 WeakPolarHBondContact O-CB 3.49Å; K120-Y123 PolarHBondContact O-N 3.03Å; K120-Y123 VanDerWaalsContact O-N 3.09Å; K120-E124 WeakPolarHBondContact O-CG 3.49Å; K120-E124 PolarHBondContact O-N 3.48Å |
| 121 | R | 94.2 | Very high | 93.5 | Very high | 174 Ų | 174 | 76.3 Ų | 76.3 | 66% | 0.657 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -57.7 | -41.3 | 173.8 | -73.5 | 175 | -177 | -172.2 | 0.6 | 112.3 | K117 L118 E124 K125 | K117-R121 VanDerWaalsContact O-CG 3.31Å; K117-R121 WeakPolarHBondContact O-CG 3.4Å; K117-R121 PolarHBondContact O-N 3.1Å; L118-R121 PolarHBondContact O-N 3.13Å; R121-E124 PolarHBondContact O-N 3.33Å; R121-K125 PolarHBondContact O-N 3.31Å |
| 122 | Y | 95.1 | Very high | 93.9 | Very high | 109 Ų | 109 | 76.3 Ų | 76.3 | 43% | 0.427 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 175.4 | -178.5 | -99.3 | 0 | 0 | 0 | 111.7 | I97 L118 A119 K120 E124 K125 L126 | I97-Y122 HydrophobicContact CD1-CD2 4.43Å; I97-Y122 HydrophobicContact CD1-CG 4.38Å; I97-Y122 HydrophobicContact CG2-CD1 3.9Å; I97-Y122 HydrophobicContact CG2-CE1 4.41Å; I97-Y122 HydrophobicContact CG2-CG 4.18Å; L118-Y122 PolarHBondContact O-N 3.36Å; A119-Y122 PolarHBondContact O-N 3.19Å; K120-Y122 VanDerWaalsContact C-N 3.29Å; K120-Y122 PolarHBondContact O-N 3.27Å; Y122-E124 PolarHBondContact O-N 2.96Å; Y122-K125 WeakPolarHBondContact O-CB 3.23Å; Y122-K125 PolarHBondContact O-N 3.24Å; Y122-L126 HydrophobicContact CD1-CD1 4.2Å; Y122-L126 HydrophobicContact CE1-CD1 3.9Å; Y122-L126 HydrophobicContact CE1-CD2 4.34Å; Y122-L126 HydrophobicContact CE1-CG 4.34Å |
| 123 | Y | 94.9 | Very high | 94.1 | Very high | 27 Ų | 27 | 70.9 Ų | 70.9 | 11% | 0.106 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 176.8 | 174.5 | -97.2 | 0 | 0 | 0 | 113.7 | F103 W105 A119 K120 K125 L126 K128 | F103-Y123 WeakPolarHBondContact O-CE2 3.39Å; W105-Y123 HydrophobicContact CB-CD1 4.02Å; W105-Y123 HydrophobicContact CB-CE1 3.78Å; W105-Y123 AromaticContact CD1-CD1 3.4Å; W105-Y123 AromaticContact CD1-CD2 3.64Å; W105-Y123 AromaticContact CD1-CE1 3.83Å; W105-Y123 AromaticContact CD1-CG 3.28Å; W105-Y123 AromaticContact CG-CD1 3.92Å; W105-Y123 HydrophobicContact CG-CD1 3.92Å; W105-Y123 HydrophobicContact CG-CE1 4.14Å; W105-Y123 HydrophobicContact CG-CG 4.23Å; W105-Y123 AromaticContact NE1-CG 3.87Å; A119-Y123 PolarHBondContact O-N 2.88Å; K120-Y123 WeakPolarHBondContact O-CB 3.49Å; K120-Y123 PolarHBondContact O-N 3.03Å; K120-Y123 VanDerWaalsContact O-N 3.09Å; Y123-K125 VanDerWaalsContact C-N 3.27Å; Y123-K125 PolarHBondContact O-N 2.89Å; Y123-L126 WeakPolarHBondContact O-CB 3.29Å; Y123-L126 PolarHBondContact O-N 3.18Å; Y123-L126 VanDerWaalsContact O-N 3.16Å; Y123-K128 HydrophobicContact CE1-CD 4.12Å; Y123-K128 HydrophobicContact CE2-CD 4.11Å; Y123-K128 PolarHBondContact O-NZ 3.38Å; Y123-K128 WeakPolarHBondContact OH-CD 3.38Å |
| 124 | E | 93.7 | Very high | 94.1 | Very high | 122 Ų | 122 | 69.7 Ų | 69.7 | 57% | 0.57 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.2 | -34.5 | 175.1 | -73.9 | 168.4 | -175.8 | 0 | 0 | 112 | K120 R121 Y122 L126 | K120-E124 WeakPolarHBondContact O-CG 3.49Å; K120-E124 PolarHBondContact O-N 3.48Å; R121-E124 PolarHBondContact O-N 3.33Å; Y122-E124 PolarHBondContact O-N 2.96Å; E124-L126 PolarHBondContact O-N 3.29Å |
| 125 | K | 95.1 | Very high | 93.8 | Very high | 128 Ų | 128 | 63.5 Ų | 63.5 | 56% | 0.557 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -68.9 | -19.2 | 175.5 | -168.6 | 173.9 | -179.2 | 177 | 0 | 113.5 | R121 Y122 Y123 E150 | R121-K125 PolarHBondContact O-N 3.31Å; Y122-K125 WeakPolarHBondContact O-CB 3.23Å; Y122-K125 PolarHBondContact O-N 3.24Å; Y123-K125 VanDerWaalsContact C-N 3.27Å; Y123-K125 PolarHBondContact O-N 2.89Å; K125-E150 VanDerWaalsContact CE-OE2 3.28Å; K125-E150 WeakPolarHBondContact CE-OE2 3.3Å; K125-E150 IonicContact NZ-OE2 2.73Å |
| 126 | L | 95.6 | Very high | 93.5 | Very high | 22 Ų | 22 | 63.6 Ų | 63.6 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -81.3 | 141.9 | -179 | -63.5 | 168.6 | 0 | 0 | 0 | 112 | Y122 Y123 E124 K128 W147 I149 | Y122-L126 HydrophobicContact CD1-CD1 4.2Å; Y122-L126 HydrophobicContact CE1-CD1 3.9Å; Y122-L126 HydrophobicContact CE1-CD2 4.34Å; Y122-L126 HydrophobicContact CE1-CG 4.34Å; Y123-L126 WeakPolarHBondContact O-CB 3.29Å; Y123-L126 PolarHBondContact O-N 3.18Å; Y123-L126 VanDerWaalsContact O-N 3.16Å; E124-L126 PolarHBondContact O-N 3.29Å; L126-K128 PolarHBondContact O-NZ 3.41Å; L126-W147 HydrophobicContact CB-CB 3.92Å; L126-W147 HydrophobicContact CD1-CB 4.11Å; L126-W147 HydrophobicContact CD2-CB 4.49Å; L126-W147 HydrophobicContact CG-CB 4.4Å; L126-I149 HydrophobicContact CD2-CG2 3.77Å |
| 127 | Y | 95.5 | Very high | 93.3 | Very high | 100 Ų | 100 | 65.9 Ų | 65.9 | 39% | 0.392 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 124.3 | 178.8 | -65.4 | -93.8 | 0 | 0 | 0 | 110.9 | R148 E150 V153 | Y127-R148 PolarHBondContact N-O 2.97Å; Y127-R148 PolarHBondContact O-N 3.16Å; Y127-E150 HydrophobicContact CE2-CB 3.94Å; Y127-E150 HydrophobicContact CE2-CG 4.38Å; Y127-V153 HydrophobicContact CD1-CG2 4.33Å; Y127-V153 HydrophobicContact CD2-CB 4.49Å; Y127-V153 HydrophobicContact CD2-CG2 3.61Å; Y127-V153 HydrophobicContact CE2-CG2 4.24Å; Y127-V153 HydrophobicContact CG-CG2 3.67Å |
| 128 | K | 92.9 | Very high | 92.7 | Very high | 82 Ų | 82 | 63 Ų | 63 | 36% | 0.357 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 13 | -165.9 | -68.4 | 170.8 | -80.2 | -74.5 | 0 | 115.2 | Y123 L126 W147 | Y123-K128 HydrophobicContact CE1-CD 4.12Å; Y123-K128 HydrophobicContact CE2-CD 4.11Å; Y123-K128 PolarHBondContact O-NZ 3.38Å; Y123-K128 WeakPolarHBondContact OH-CD 3.38Å; L126-K128 PolarHBondContact O-NZ 3.41Å; K128-W147 HydrophobicContact CB-CD2 4.5Å; K128-W147 HydrophobicContact CB-CE3 4.07Å; K128-W147 HydrophobicContact CB-CH2 4.43Å; K128-W147 HydrophobicContact CB-CZ3 4.03Å; K128-W147 HydrophobicContact CG-CD2 3.99Å; K128-W147 HydrophobicContact CG-CE3 4.05Å; K128-W147 HydrophobicContact CG-CG 4.4Å; K128-W147 HydrophobicContact CG-CZ3 4.39Å; K128-W147 VanDerWaalsContact O-CZ3 3.25Å; K128-W147 WeakPolarHBondContact O-CZ3 3.09Å |
| 129 | E | 92.9 | Very high | 92.2 | Very high | 128 Ų | 128 | 68.1 Ų | 68.1 | 60% | 0.598 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -49.4 | 179.7 | -62.6 | -55.8 | 129.4 | 0 | 0 | 113.2 | K194 | E129-K194 WeakPolarHBondContact O-CB 3.44Å |
| 130 | Y | 94.1 | Very high | 91.9 | Very high | 46 Ų | 46 | 73.4 Ų | 73.4 | 18% | 0.18 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 140.8 | 179.8 | -66 | -80.8 | 0 | 0 | 0 | 109.2 | R148 K194 R196 | Y130-R148 WeakPolarHBondContact O-CG 3.36Å; Y130-R148 PolarHBondContact O-NE 2.99Å; Y130-K194 HydrophobicContact CD1-CB 4.32Å; Y130-R196 HydrophobicContact CD1-CB 4.04Å; Y130-R196 HydrophobicContact CE1-CB 4.19Å |
| 131 | C | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 153.6 | 171.8 | -85 | 0 | 0 | 0 | 0 | 112.2 | L145 W147 V193 K194 | C131-L145 HydrophobicContact CB-CD2 4.38Å; C131-W147 WeakPolarHBondContact SG-CZ3 3.32Å; C131-V193 HydrophobicContact CB-CG1 3.44Å; C131-V193 VanDerWaalsContact CB-CG1 3.44Å; C131-V193 WeakPolarHBondContact SG-CG1 2.9Å; C131-K194 PolarHBondContact N-O 3.44Å |
| 132 | I | 94.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 73.9 Ų | 73.9 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 128.6 | 165 | -66.3 | 168.4 | 0 | 0 | 0 | 107.5 | R146 R148 E152 K157 G163 K165 | I132-R146 HydrophobicContact CB-CG 4.28Å; I132-R146 PolarHBondContact N-O 3.41Å; I132-R146 PolarHBondContact O-N 2.74Å; I132-R148 HydrophobicContact CD1-CG 3.85Å; I132-R148 HydrophobicContact CG1-CG 3.87Å; I132-E152 HydrophobicContact CD1-CB 4.18Å; I132-E152 HydrophobicContact CD1-CG 4.04Å; I132-K157 HydrophobicContact CD1-CD 3.99Å; I132-K157 HydrophobicContact CD1-CG 4.29Å; I132-G163 CarbonylContact C-O 3.12Å; I132-G163 VanDerWaalsContact CA-O 3.23Å; I132-G163 WeakPolarHBondContact CA-O 3.22Å; I132-G163 WeakPolarHBondContact CG2-O 3.43Å; I132-K165 HydrophobicContact CG2-CB 4.4Å |
| 133 | G | 92.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 149.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | G144 G163 E164 K165 | G133-G144 CarbonylContact C-O 3.57Å; G133-G144 VanDerWaalsContact CA-O 3.27Å; G133-G144 WeakPolarHBondContact CA-O 3.41Å; G133-G163 PolarHBondContact N-O 2.92Å; G133-E164 CarbonylContact O-C 3.5Å; G133-E164 WeakPolarHBondContact O-CA 3.1Å; G133-K165 WeakPolarHBondContact O-CB 3.44Å; G133-K165 PolarHBondContact O-N 2.93Å |
| 134 | D | 92.7 | Very high | 90.7 | Very high | 42 Ų | 42 | 70.7 Ų | 70.7 | 23% | 0.225 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 106.3 | 161 | -165.2 | -21.6 | 0 | 0 | 0 | 107.2 | S136 G144 E164 K165 H166 | D134-S136 WeakPolarHBondContact OD1-CB 3.03Å; D134-S136 PolarHBondContact OD1-N 3.33Å; D134-S136 VanDerWaalsContact OD1-N 3.08Å; D134-S136 PolarHBondContact OD1-OG 3.37Å; D134-G144 PolarHBondContact N-O 2.91Å; D134-G144 PolarHBondContact O-N 2.97Å; D134-E164 WeakPolarHBondContact CA-OE1 3.13Å; D134-K165 HydrophobicContact CB-CB 4.49Å; D134-K165 HydrophobicContact CB-CD 4.27Å; D134-K165 WeakPolarHBondContact OD2-CD 3.38Å; D134-K165 IonicContact OD2-NZ 2.73Å; D134-K165 PolarHBondContact OD2-NZ 3.34Å; D134-H166 IonicContact OD1-CE1 3.67Å; D134-H166 IonicContact OD1-ND1 3.73Å; D134-H166 IonicContact OD2-CE1 3.18Å |
| 135 | L | 87.3 | Confident | 90.7 | Very high | 27 Ų | 27 | 65.9 Ų | 65.9 | 14% | 0.141 | 32% | 0.319 | C | S | . | . | trans | -97.8 | 13.6 | 179.4 | -64.1 | 174.1 | 0 | 0 | 0 | 111.6 | H137 F138 I143 E164 F220 | L135-H137 PolarHBondContact O-N 3.3Å; L135-H137 VanDerWaalsContact O-N 3.1Å; L135-F138 HydrophobicContact CB-CB 4.49Å; L135-F138 WeakPolarHBondContact O-CB 3.29Å; L135-F138 WeakPolarHBondContact O-CD1 3.27Å; L135-F138 PolarHBondContact O-N 2.8Å; L135-I143 HydrophobicContact CD2-CB 4.2Å; L135-I143 HydrophobicContact CD2-CG2 3.6Å; L135-E164 VanDerWaalsContact CB-OE2 3.29Å; L135-E164 WeakPolarHBondContact CB-OE2 3.32Å; L135-E164 VanDerWaalsContact CD1-OE2 3.3Å; L135-E164 WeakPolarHBondContact CD1-OE2 3.42Å; L135-E164 WeakPolarHBondContact CG-OE2 3.48Å; L135-E164 PolarHBondContact N-OE1 3.09Å; L135-E164 PolarHBondContact N-OE2 3.4Å; L135-F220 HydrophobicContact CD1-CZ 4.47Å; L135-F220 HydrophobicContact CD2-CE2 4.32Å; L135-F220 HydrophobicContact CD2-CZ 4.14Å | ||
| 136 | S | 87.8 | Confident | 90.6 | Very high | 64 Ų | 64 | 64.6 Ų | 64.6 | 45% | 0.448 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -33.8 | -176.5 | -58.5 | 0 | 0 | 0 | 0 | 113.8 | D134 H166 | D134-S136 WeakPolarHBondContact OD1-CB 3.03Å; D134-S136 PolarHBondContact OD1-N 3.33Å; D134-S136 VanDerWaalsContact OD1-N 3.08Å; D134-S136 PolarHBondContact OD1-OG 3.37Å; S136-H166 PolarHBondContact OG-CE1 3Å |
| 137 | H | 88 | Confident | 90.6 | Very high | 113 Ų | 113 | 64.9 Ų | 64.9 | 52% | 0.523 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 24 | -176.9 | -61.1 | -66 | 0 | 0 | 0 | 113.9 | L135 K139 E140 K142 | L135-H137 PolarHBondContact O-N 3.3Å; L135-H137 VanDerWaalsContact O-N 3.1Å; H137-K139 PolarHBondContact O-N 2.95Å; H137-K139 VanDerWaalsContact O-N 3.13Å; H137-E140 PolarHBondContact O-N 3.32Å; H137-K142 CarbonylContact C-O 3.6Å; H137-K142 HydrophobicContact CB-CB 4.04Å; H137-K142 PolarHBondContact O-N 2.81Å; H137-K142 VanDerWaalsContact O-O 3.14Å |
| 138 | F | 82.6 | Confident | 90.6 | Very high | 43 Ų | 43 | 60.4 Ų | 60.4 | 19% | 0.189 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -60.5 | -27.7 | -176.3 | 80.8 | -83 | 0 | 0 | 0 | 114 | L135 E140 N141 K142 I143 L212 V216 | L135-F138 HydrophobicContact CB-CB 4.49Å; L135-F138 WeakPolarHBondContact O-CB 3.29Å; L135-F138 WeakPolarHBondContact O-CD1 3.27Å; L135-F138 PolarHBondContact O-N 2.8Å; F138-E140 PolarHBondContact O-N 2.96Å; F138-N141 WeakPolarHBondContact O-CA 3.3Å; F138-N141 PolarHBondContact O-N 2.88Å; F138-K142 PolarHBondContact N-O 3.25Å; F138-I143 HydrophobicContact CB-CG2 4.49Å; F138-L212 HydrophobicContact CD2-CD2 4.43Å; F138-L212 HydrophobicContact CE1-CD2 4.2Å; F138-L212 HydrophobicContact CE2-CB 3.99Å; F138-L212 HydrophobicContact CE2-CD2 3.32Å; F138-L212 HydrophobicContact CE2-CG 4.23Å; F138-L212 HydrophobicContact CZ-CB 3.96Å; F138-L212 HydrophobicContact CZ-CD1 4.43Å; F138-L212 HydrophobicContact CZ-CD2 3.22Å; F138-L212 HydrophobicContact CZ-CG 4.03Å; F138-V216 HydrophobicContact CD2-CG2 3.32Å; F138-V216 HydrophobicContact CE2-CG2 3.37Å; F138-V216 HydrophobicContact CG-CG2 4.17Å; F138-V216 HydrophobicContact CZ-CG2 4.25Å |
| 139 | K | 84.6 | Confident | 90.8 | Very high | 144 Ų | 144 | 59.2 Ų | 59.2 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -59.9 | -27.6 | 175.2 | -71.7 | 179.7 | -179.3 | 174.6 | 0 | 113 | H137 N141 L212 | H137-K139 PolarHBondContact O-N 2.95Å; H137-K139 VanDerWaalsContact O-N 3.13Å; K139-N141 VanDerWaalsContact C-N 3.27Å; K139-L212 HydrophobicContact CD-CD2 3.86Å; K139-L212 HydrophobicContact CG-CD2 3.4Å; K139-L212 VanDerWaalsContact CG-CD2 3.4Å |
| 140 | E | 88.4 | Confident | 90.9 | Very high | 112 Ų | 112 | 56.8 Ų | 56.8 | 52% | 0.523 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -91.2 | 12.2 | 175.6 | -61.1 | 178.1 | -156.6 | 0 | 0 | 112 | H137 F138 K142 | H137-E140 PolarHBondContact O-N 3.32Å; F138-E140 PolarHBondContact O-N 2.96Å; E140-K142 HydrophobicContact CB-CD 4.11Å; E140-K142 HydrophobicContact CB-CG 4.17Å; E140-K142 PolarHBondContact O-N 3.5Å; E140-K142 WeakPolarHBondContact OE2-CE 3.41Å; E140-K142 IonicContact OE2-NZ 3.39Å; E140-K142 PolarHBondContact OE2-NZ 3.13Å |
| 141 | N | 82.3 | Confident | 91 | Very high | 115 Ų | 115 | 59.9 Ų | 59.9 | 62% | 0.615 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 26.2 | -169.1 | -61.8 | -37.3 | 0 | 0 | 0 | 113.4 | F138 K139 | F138-N141 WeakPolarHBondContact O-CA 3.3Å; F138-N141 PolarHBondContact O-N 2.88Å; K139-N141 VanDerWaalsContact C-N 3.27Å |
| 142 | K | 88.2 | Confident | 91 | Very high | 124 Ų | 124 | 61.3 Ų | 61.3 | 54% | 0.539 | 30% | 0.301 | S | S | . | . | trans | -104.4 | 121.5 | 176.4 | -66.2 | 174.3 | -172 | 163.2 | 0 | 109.4 | H137 F138 E140 | H137-K142 CarbonylContact C-O 3.6Å; H137-K142 HydrophobicContact CB-CB 4.04Å; H137-K142 PolarHBondContact O-N 2.81Å; H137-K142 VanDerWaalsContact O-O 3.14Å; F138-K142 PolarHBondContact N-O 3.25Å; E140-K142 HydrophobicContact CB-CD 4.11Å; E140-K142 HydrophobicContact CB-CG 4.17Å; E140-K142 PolarHBondContact O-N 3.5Å; E140-K142 WeakPolarHBondContact OE2-CE 3.41Å; E140-K142 IonicContact OE2-NZ 3.39Å; E140-K142 PolarHBondContact OE2-NZ 3.13Å | ||
| 143 | I | 90.3 | Very high | 91.1 | Very high | 35 Ų | 35 | 63.1 Ų | 63.1 | 18% | 0.179 | 31% | 0.312 | C | S | . | . | trans | -127.6 | 142.5 | 175.4 | 61.6 | 166.5 | 0 | 0 | 0 | 109.2 | L135 F138 L145 F180 M219 | L135-I143 HydrophobicContact CD2-CB 4.2Å; L135-I143 HydrophobicContact CD2-CG2 3.6Å; F138-I143 HydrophobicContact CB-CG2 4.49Å; I143-L145 HydrophobicContact CD1-CD1 4.32Å; I143-F180 HydrophobicContact CD1-CD2 4.28Å; I143-M219 HydrophobicContact CD1-CE 3.8Å; I143-M219 HydrophobicContact CG1-CE 4.26Å; I143-M219 HydrophobicContact CG2-CE 4.09Å | ||
| 144 | G | 91.9 | Very high | 91.2 | Very high | 34 Ų | 34 | 68.7 Ų | 68.7 | 35% | 0.351 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 135.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | G133 D134 | G133-G144 CarbonylContact C-O 3.57Å; G133-G144 VanDerWaalsContact CA-O 3.27Å; G133-G144 WeakPolarHBondContact CA-O 3.41Å; D134-G144 PolarHBondContact N-O 2.91Å; D134-G144 PolarHBondContact O-N 2.97Å |
| 145 | L | 93.5 | Very high | 91.3 | Very high | 22 Ų | 22 | 71.7 Ų | 71.7 | 12% | 0.115 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 143.8 | 174.7 | -67.9 | 173.1 | 0 | 0 | 0 | 109.9 | C131 I143 F180 V193 L195 | C131-L145 HydrophobicContact CB-CD2 4.38Å; I143-L145 HydrophobicContact CD1-CD1 4.32Å; L145-F180 HydrophobicContact CB-CE2 4.38Å; L145-F180 HydrophobicContact CD1-CB 3.83Å; L145-F180 HydrophobicContact CD1-CD1 4.46Å; L145-F180 HydrophobicContact CD1-CD2 3.56Å; L145-F180 HydrophobicContact CD1-CE2 4.19Å; L145-F180 HydrophobicContact CD1-CG 3.71Å; L145-F180 HydrophobicContact CG-CD2 4.26Å; L145-F180 HydrophobicContact CG-CE2 4.43Å; L145-V193 HydrophobicContact CD1-CB 4.47Å; L145-V193 HydrophobicContact CD1-CG1 4.36Å; L145-L195 HydrophobicContact CD2-CD1 3.64Å |
| 146 | R | 94 | Very high | 91.6 | Very high | 101 Ų | 101 | 70.5 Ų | 70.5 | 38% | 0.381 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 152.9 | 171.6 | 67.7 | 178.1 | -178.4 | 105.9 | 0.6 | 111.2 | I132 E152 | I132-R146 HydrophobicContact CB-CG 4.28Å; I132-R146 PolarHBondContact N-O 3.41Å; I132-R146 PolarHBondContact O-N 2.74Å; R146-E152 IonicContact CZ-OE1 3.85Å; R146-E152 IonicContact NH2-OE1 3.72Å; R146-E152 PolarHBondContact NH2-OE1 3.48Å |
| 147 | W | 95.7 | Very high | 91.9 | Very high | 27 Ų | 27 | 68.7 Ų | 68.7 | 10% | 0.102 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 155.6 | 171.3 | -60.4 | 115.2 | 0 | 0 | 0 | 111.7 | F103 L104 L126 K128 C131 V193 | F103-W147 AromaticContact CE1-CZ2 3.92Å; F103-W147 HydrophobicContact CE1-CZ2 3.92Å; F103-W147 HydrophobicContact CE2-CZ2 4.43Å; F103-W147 AromaticContact CE2-NE1 3.76Å; F103-W147 AromaticContact CZ-CE2 3.86Å; F103-W147 AromaticContact CZ-CZ2 3.72Å; F103-W147 HydrophobicContact CZ-CZ2 3.72Å; F103-W147 AromaticContact CZ-NE1 3.91Å; F103-W147 PolarHBondContact O-NE1 3.12Å; L104-W147 HydrophobicContact CD2-CZ2 3.9Å; L126-W147 HydrophobicContact CB-CB 3.92Å; L126-W147 HydrophobicContact CD1-CB 4.11Å; L126-W147 HydrophobicContact CD2-CB 4.49Å; L126-W147 HydrophobicContact CG-CB 4.4Å; K128-W147 HydrophobicContact CB-CD2 4.5Å; K128-W147 HydrophobicContact CB-CE3 4.07Å; K128-W147 HydrophobicContact CB-CH2 4.43Å; K128-W147 HydrophobicContact CB-CZ3 4.03Å; K128-W147 HydrophobicContact CG-CD2 3.99Å; K128-W147 HydrophobicContact CG-CE3 4.05Å; K128-W147 HydrophobicContact CG-CG 4.4Å; K128-W147 HydrophobicContact CG-CZ3 4.39Å; K128-W147 VanDerWaalsContact O-CZ3 3.25Å; K128-W147 WeakPolarHBondContact O-CZ3 3.09Å; C131-W147 WeakPolarHBondContact SG-CZ3 3.32Å; W147-V193 HydrophobicContact CH2-CG1 4.44Å |
| 148 | R | 95.6 | Very high | 92 | Very high | 7 Ų | 7 | 63.3 Ų | 63.3 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 142.3 | 179.5 | -69.8 | -175.5 | -51.1 | 164.5 | 7.8 | 111.1 | Y127 Y130 I132 V153 K157 | Y127-R148 PolarHBondContact N-O 2.97Å; Y127-R148 PolarHBondContact O-N 3.16Å; Y130-R148 WeakPolarHBondContact O-CG 3.36Å; Y130-R148 PolarHBondContact O-NE 2.99Å; I132-R148 HydrophobicContact CD1-CG 3.85Å; I132-R148 HydrophobicContact CG1-CG 3.87Å; R148-V153 HydrophobicContact CB-CG2 4Å; R148-K157 WeakPolarHBondContact CD-O 3.49Å; R148-K157 PolarHBondContact NH1-O 2.85Å |
| 149 | I | 95.7 | Very high | 92.3 | Very high | 57 Ų | 57 | 64.3 Ų | 64.3 | 29% | 0.292 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 161.3 | 167.6 | 59.7 | 166 | 0 | 0 | 0 | 109.8 | L126 Q151 E152 V153 | L126-I149 HydrophobicContact CD2-CG2 3.77Å; I149-Q151 VanDerWaalsContact C-N 3.32Å; I149-Q151 HydrophobicContact CD1-CB 4.16Å; I149-Q151 PolarHBondContact O-N 3.24Å; I149-E152 HydrophobicContact CD1-CG 3.99Å; I149-E152 HydrophobicContact CG1-CB 4.04Å; I149-E152 HydrophobicContact CG1-CG 3.36Å; I149-E152 WeakPolarHBondContact O-CB 3.46Å; I149-E152 PolarHBondContact O-N 3.15Å; I149-E152 VanDerWaalsContact O-N 3.1Å; I149-V153 PolarHBondContact O-N 3.11Å |
| 150 | E | 95.7 | Very high | 92.7 | Very high | 77 Ų | 77 | 64 Ų | 64 | 36% | 0.36 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -48.3 | -47.8 | 178.1 | -174.5 | 177.8 | -167.6 | 0 | 0 | 113.9 | K125 Y127 E152 V153 I154 | K125-E150 VanDerWaalsContact CE-OE2 3.28Å; K125-E150 WeakPolarHBondContact CE-OE2 3.3Å; K125-E150 IonicContact NZ-OE2 2.73Å; Y127-E150 HydrophobicContact CE2-CB 3.94Å; Y127-E150 HydrophobicContact CE2-CG 4.38Å; E150-E152 VanDerWaalsContact C-N 3.35Å; E150-E152 PolarHBondContact O-N 3.04Å; E150-V153 WeakPolarHBondContact O-CB 3.46Å; E150-V153 PolarHBondContact O-N 3.17Å; E150-V153 VanDerWaalsContact O-N 3.11Å; E150-I154 HydrophobicContact CG-CD1 4.24Å; E150-I154 WeakPolarHBondContact O-CG1 3.32Å; E150-I154 PolarHBondContact O-N 3.43Å |
| 151 | Q | 95.8 | Very high | 92.9 | Very high | 110 Ų | 110 | 59.9 Ų | 59.9 | 51% | 0.514 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 180 | -61.9 | -61 | -39.1 | 0 | 0 | 112.3 | I149 V153 I154 D155 | I149-Q151 VanDerWaalsContact C-N 3.32Å; I149-Q151 HydrophobicContact CD1-CB 4.16Å; I149-Q151 PolarHBondContact O-N 3.24Å; Q151-V153 VanDerWaalsContact C-N 3.25Å; Q151-V153 PolarHBondContact O-N 2.86Å; Q151-I154 WeakPolarHBondContact O-CB 3.33Å; Q151-I154 PolarHBondContact O-N 3.1Å; Q151-D155 VanDerWaalsContact O-CG 3.28Å; Q151-D155 PolarHBondContact O-N 3.33Å |
| 152 | E | 95.1 | Very high | 93.4 | Very high | 30 Ų | 30 | 54.4 Ų | 54.4 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.3 | -28.6 | 178.6 | -61.1 | -91.2 | -151 | 0 | 0 | 112 | I132 R146 I149 E150 G156 K157 | I132-E152 HydrophobicContact CD1-CB 4.18Å; I132-E152 HydrophobicContact CD1-CG 4.04Å; R146-E152 IonicContact CZ-OE1 3.85Å; R146-E152 IonicContact NH2-OE1 3.72Å; R146-E152 PolarHBondContact NH2-OE1 3.48Å; I149-E152 HydrophobicContact CD1-CG 3.99Å; I149-E152 HydrophobicContact CG1-CB 4.04Å; I149-E152 HydrophobicContact CG1-CG 3.36Å; I149-E152 WeakPolarHBondContact O-CB 3.46Å; I149-E152 PolarHBondContact O-N 3.15Å; I149-E152 VanDerWaalsContact O-N 3.1Å; E150-E152 VanDerWaalsContact C-N 3.35Å; E150-E152 PolarHBondContact O-N 3.04Å; E152-G156 PolarHBondContact O-N 3.47Å; E152-G156 VanDerWaalsContact O-N 3.15Å; E152-K157 HydrophobicContact CB-CB 4.31Å; E152-K157 PolarHBondContact O-N 3.41Å; E152-K157 WeakPolarHBondContact OE2-CB 3.43Å; E152-K157 WeakPolarHBondContact OE2-CD 3.42Å |
| 153 | V | 94.6 | Very high | 93.6 | Very high | 40 Ų | 40 | 48.5 Ų | 48.5 | 24% | 0.242 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71.7 | -42 | 174.6 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | Y127 R148 I149 E150 Q151 D155 G156 | Y127-V153 HydrophobicContact CD1-CG2 4.33Å; Y127-V153 HydrophobicContact CD2-CB 4.49Å; Y127-V153 HydrophobicContact CD2-CG2 3.61Å; Y127-V153 HydrophobicContact CE2-CG2 4.24Å; Y127-V153 HydrophobicContact CG-CG2 3.67Å; R148-V153 HydrophobicContact CB-CG2 4Å; I149-V153 PolarHBondContact O-N 3.11Å; E150-V153 WeakPolarHBondContact O-CB 3.46Å; E150-V153 PolarHBondContact O-N 3.17Å; E150-V153 VanDerWaalsContact O-N 3.11Å; Q151-V153 VanDerWaalsContact C-N 3.25Å; Q151-V153 PolarHBondContact O-N 2.86Å; V153-D155 VanDerWaalsContact C-N 3.33Å; V153-G156 PolarHBondContact O-N 3.46Å; V153-G156 VanDerWaalsContact O-N 3.1Å |
| 154 | I | 95.5 | Very high | 93.7 | Very high | 119 Ų | 119 | 47.9 Ų | 47.9 | 61% | 0.61 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -61.8 | -43.8 | 175.2 | -64.7 | 166.2 | 0 | 0 | 0 | 110.4 | E150 Q151 G156 | E150-I154 HydrophobicContact CG-CD1 4.24Å; E150-I154 WeakPolarHBondContact O-CG1 3.32Å; E150-I154 PolarHBondContact O-N 3.43Å; Q151-I154 WeakPolarHBondContact O-CB 3.33Å; Q151-I154 PolarHBondContact O-N 3.1Å; I154-G156 PolarHBondContact O-N 3.23Å |
| 155 | D | 94.8 | Very high | 93.7 | Very high | 104 Ų | 104 | 50.9 Ų | 50.9 | 56% | 0.556 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -15.9 | 176.8 | -66.2 | -22 | 0 | 0 | 0 | 113 | Q151 V153 I161 | Q151-D155 VanDerWaalsContact O-CG 3.28Å; Q151-D155 PolarHBondContact O-N 3.33Å; V153-D155 VanDerWaalsContact C-N 3.33Å; D155-I161 WeakPolarHBondContact O-CD1 3.31Å |
| 156 | G | 93.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 17.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E152 V153 I154 Q159 F160 I161 | E152-G156 PolarHBondContact O-N 3.47Å; E152-G156 VanDerWaalsContact O-N 3.15Å; V153-G156 PolarHBondContact O-N 3.46Å; V153-G156 VanDerWaalsContact O-N 3.1Å; I154-G156 PolarHBondContact O-N 3.23Å; G156-Q159 PolarHBondContact O-N 2.87Å; G156-Q159 VanDerWaalsContact O-N 3.17Å; G156-F160 PolarHBondContact O-N 3Å; G156-I161 PolarHBondContact O-N 3.37Å |
| 157 | K | 93.3 | Very high | 93.3 | Very high | 26 Ų | 26 | 51.6 Ų | 51.6 | 11% | 0.113 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -66.7 | 133.8 | 178.4 | -159.9 | 175.1 | -171.7 | 166.7 | 0 | 111.7 | I132 R148 E152 Q159 K165 | I132-K157 HydrophobicContact CD1-CD 3.99Å; I132-K157 HydrophobicContact CD1-CG 4.29Å; R148-K157 WeakPolarHBondContact CD-O 3.49Å; R148-K157 PolarHBondContact NH1-O 2.85Å; E152-K157 HydrophobicContact CB-CB 4.31Å; E152-K157 PolarHBondContact O-N 3.41Å; E152-K157 WeakPolarHBondContact OE2-CB 3.43Å; E152-K157 WeakPolarHBondContact OE2-CD 3.42Å; K157-Q159 PolarHBondContact O-N 3.17Å; K157-K165 PolarHBondContact NZ-O 3.06Å |
| 158 | G | 90.6 | Very high | 93 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 2.3 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | I161 R196 | G158-I161 CarbonylContact C-O 3.57Å; G158-I161 VanDerWaalsContact CA-O 3.22Å; G158-I161 WeakPolarHBondContact CA-O 3.45Å; G158-I161 PolarHBondContact N-O 3.46Å; G158-R196 WeakPolarHBondContact O-CB 3.28Å; G158-R196 WeakPolarHBondContact O-CD 3.44Å |
| 159 | Q | 88.9 | Confident | 92.7 | Very high | 64 Ų | 64 | 58.4 Ų | 58.4 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | -57.4 | 174.7 | -179.5 | 171.4 | -4.7 | 0 | 0 | 112 | G156 K157 I161 R196 | G156-Q159 PolarHBondContact O-N 2.87Å; G156-Q159 VanDerWaalsContact O-N 3.17Å; K157-Q159 PolarHBondContact O-N 3.17Å; Q159-I161 PolarHBondContact N-O 2.98Å; Q159-R196 VanDerWaalsContact O-CD 3.25Å; Q159-R196 WeakPolarHBondContact O-CD 3.49Å; Q159-R196 PolarHBondContact O-NE 3.37Å; Q159-R196 PolarHBondContact O-NH1 2.85Å |
| 160 | F | 92.9 | Very high | 92.5 | Very high | 137 Ų | 137 | 62.9 Ų | 62.9 | 60% | 0.601 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -17.7 | 175.3 | -55.8 | -57.1 | 0 | 0 | 0 | 112.3 | G156 L173 | G156-F160 PolarHBondContact O-N 3Å; F160-L173 WeakPolarHBondContact O-CD1 3.31Å |
| 161 | I | 93.7 | Very high | 92.1 | Very high | 27 Ų | 27 | 66.6 Ų | 66.6 | 14% | 0.138 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -118 | 150.2 | 173.7 | -53.1 | 166.1 | 0 | 0 | 0 | 107.6 | D155 G156 G158 Q159 G163 K170 | D155-I161 WeakPolarHBondContact O-CD1 3.31Å; G156-I161 PolarHBondContact O-N 3.37Å; G158-I161 CarbonylContact C-O 3.57Å; G158-I161 VanDerWaalsContact CA-O 3.22Å; G158-I161 WeakPolarHBondContact CA-O 3.45Å; G158-I161 PolarHBondContact N-O 3.46Å; Q159-I161 PolarHBondContact N-O 2.98Å; I161-G163 PolarHBondContact O-N 3.16Å; I161-K170 HydrophobicContact CG1-CG 4.06Å |
| 162 | C | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | trans | -48.2 | 135 | 173 | -170.3 | 0 | 0 | 0 | 0 | 111.9 | E164 C167 S169 L173 | C162-E164 PolarHBondContact O-N 3.19Å; C162-C167 HydrophobicContact CB-CB 3.88Å; C162-C167 VanDerWaalsContact CB-SG 3.58Å; C162-C167 VanDerWaalsContact SG-SG 3.64Å; C162-S169 PolarHBondContact N-O 2.85Å; C162-L173 HydrophobicContact CB-CD2 3.99Å | ||
| 163 | G | 92.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -80.7 | 0.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I132 G133 I161 R196 | I132-G163 CarbonylContact C-O 3.12Å; I132-G163 VanDerWaalsContact CA-O 3.23Å; I132-G163 WeakPolarHBondContact CA-O 3.22Å; I132-G163 WeakPolarHBondContact CG2-O 3.43Å; G133-G163 PolarHBondContact N-O 2.92Å; I161-G163 PolarHBondContact O-N 3.16Å; G163-R196 VanDerWaalsContact CA-O 3.29Å; G163-R196 WeakPolarHBondContact CA-O 3.32Å; G163-R196 PolarHBondContact N-O 3.48Å |
| 164 | E | 91.9 | Very high | 91.3 | Very high | 22 Ų | 22 | 65.6 Ų | 65.6 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -76.4 | 131.7 | 169.9 | 177 | 56.9 | -148.1 | 0 | 0 | 109.9 | G133 D134 L135 C162 H166 C167 | G133-E164 CarbonylContact O-C 3.5Å; G133-E164 WeakPolarHBondContact O-CA 3.1Å; D134-E164 WeakPolarHBondContact CA-OE1 3.13Å; L135-E164 VanDerWaalsContact CB-OE2 3.29Å; L135-E164 WeakPolarHBondContact CB-OE2 3.32Å; L135-E164 VanDerWaalsContact CD1-OE2 3.3Å; L135-E164 WeakPolarHBondContact CD1-OE2 3.42Å; L135-E164 WeakPolarHBondContact CG-OE2 3.48Å; L135-E164 PolarHBondContact N-OE1 3.09Å; L135-E164 PolarHBondContact N-OE2 3.4Å; C162-E164 PolarHBondContact O-N 3.19Å; E164-H166 PolarHBondContact O-N 3.32Å; E164-H166 VanDerWaalsContact O-N 3.1Å; E164-C167 HydrophobicContact CB-CB 3.75Å; E164-C167 HydrophobicContact CG-CB 4.05Å; E164-C167 PolarHBondContact O-N 3.46Å |
| 165 | K | 90.9 | Very high | 91.1 | Very high | 97 Ų | 97 | 61.5 Ų | 61.5 | 42% | 0.422 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -41.6 | -172.4 | 177.2 | -178.3 | 165.1 | -165.8 | 0 | 113.2 | I132 G133 D134 K157 | I132-K165 HydrophobicContact CG2-CB 4.4Å; G133-K165 WeakPolarHBondContact O-CB 3.44Å; G133-K165 PolarHBondContact O-N 2.93Å; D134-K165 HydrophobicContact CB-CB 4.49Å; D134-K165 HydrophobicContact CB-CD 4.27Å; D134-K165 WeakPolarHBondContact OD2-CD 3.38Å; D134-K165 IonicContact OD2-NZ 2.73Å; D134-K165 PolarHBondContact OD2-NZ 3.34Å; K157-K165 PolarHBondContact NZ-O 3.06Å |
| 166 | H | 89.8 | Confident | 90.9 | Very high | 120 Ų | 120 | 57.3 Ų | 57.3 | 56% | 0.556 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 1.4 | -175.9 | -55.3 | 97.4 | 0 | 0 | 0 | 114 | D134 S136 E164 | D134-H166 IonicContact OD1-CE1 3.67Å; D134-H166 IonicContact OD1-ND1 3.73Å; D134-H166 IonicContact OD2-CE1 3.18Å; S136-H166 PolarHBondContact OG-CE1 3Å; E164-H166 PolarHBondContact O-N 3.32Å; E164-H166 VanDerWaalsContact O-N 3.1Å |
| 167 | C | 89.3 | Confident | 90.9 | Very high | 18 Ų | 18 | 59.4 Ų | 59.4 | 12% | 0.122 | 30% | 0.295 | C | S | . | . | trans | -108 | 129.8 | -178 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | C162 E164 S169 | C162-C167 HydrophobicContact CB-CB 3.88Å; C162-C167 VanDerWaalsContact CB-SG 3.58Å; C162-C167 VanDerWaalsContact SG-SG 3.64Å; E164-C167 HydrophobicContact CB-CB 3.75Å; E164-C167 HydrophobicContact CG-CB 4.05Å; E164-C167 PolarHBondContact O-N 3.46Å; C167-S169 PolarHBondContact SG-OG 3.46Å; C167-S169 VanDerWaalsContact SG-OG 3.41Å | ||
| 168 | N | 89.6 | Confident | 90.6 | Very high | 123 Ų | 123 | 58.2 Ų | 58.2 | 66% | 0.658 | 29% | 0.289 | S | S | * | . | trans | -114.8 | 16.8 | 178.3 | -68.1 | -22.6 | 0 | 0 | 0 | 112.9 | ||||
| 169 | S | 89.9 | Confident | 90.6 | Very high | 54 Ų | 54 | 64.2 Ų | 64.2 | 38% | 0.378 | 32% | 0.316 | S | S | . | . | trans | -64.9 | 138 | 176.8 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | C162 C167 | C162-S169 PolarHBondContact N-O 2.85Å; C167-S169 PolarHBondContact SG-OG 3.46Å; C167-S169 VanDerWaalsContact SG-OG 3.41Å | ||
| 170 | K | 91 | Very high | 90.8 | Very high | 151 Ų | 151 | 62.5 Ų | 62.5 | 66% | 0.657 | 31% | 0.307 | S | S | * | . | trans | -108.2 | -15.5 | 179.2 | -66 | 179.2 | 178.3 | -179.2 | 0 | 113.3 | I161 | I161-K170 HydrophobicContact CG1-CG 4.06Š| ||
| 171 | E | 88.5 | Confident | 90.7 | Very high | 155 Ų | 155 | 61 Ų | 61 | 72% | 0.724 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -96.8 | 154.2 | -174.7 | -63.1 | 175.4 | -176.6 | 0 | 0 | 111.1 | L173 | E171-L173 VanDerWaalsContact C-N 3.32Å; E171-L173 PolarHBondContact O-N 2.99Å |
| 172 | D | 88 | Confident | 90.6 | Very high | 106 Ų | 106 | 61.3 Ų | 61.3 | 57% | 0.567 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 52 | 39.9 | 176.8 | -60.7 | -33.2 | 0 | 0 | 0 | 115.3 | F198 V199 | D172-F198 CarbonylContact O-C 3.54Å; D172-F198 WeakPolarHBondContact O-CA 2.88Å; D172-V199 PolarHBondContact O-N 3.08Å |
| 173 | L | 89.9 | Confident | 90.6 | Very high | 31 Ų | 31 | 66.1 Ų | 66.1 | 16% | 0.162 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 125.5 | 179 | -63.1 | 172 | 0 | 0 | 0 | 112 | F160 C162 E171 R196 F198 | F160-L173 WeakPolarHBondContact O-CD1 3.31Å; C162-L173 HydrophobicContact CB-CD2 3.99Å; E171-L173 VanDerWaalsContact C-N 3.32Å; E171-L173 PolarHBondContact O-N 2.99Å; L173-R196 HydrophobicContact CB-CG 4.19Å; L173-F198 HydrophobicContact CD2-CB 4.33Å |
| 174 | A | 90.9 | Very high | 90.5 | Very high | 22 Ų | 22 | 67.1 Ų | 67.1 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 153 | 165 | 0 | 0 | 0 | 0 | 0 | 112.3 | R196 K197 V199 | A174-R196 CarbonylContact O-C 3.56Å; A174-R196 WeakPolarHBondContact O-CA 3.44Å; A174-R196 WeakPolarHBondContact O-CG 3.41Å; A174-K197 PolarHBondContact N-O 3.24Å; A174-K197 PolarHBondContact O-N 2.76Å; A174-V199 HydrophobicContact CB-CG2 3.12Å |
| 175 | S | 91.4 | Very high | 90.3 | Very high | 33 Ų | 33 | 72.6 Ų | 72.6 | 23% | 0.231 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 131.2 | 175.2 | -63.2 | 0 | 0 | 0 | 0 | 109.6 | A223 | S175-A223 PolarHBondContact O-N 2.73Å |
| 176 | W | 90.7 | Very high | 90.4 | Very high | 15 Ų | 15 | 71.3 Ų | 71.3 | 6% | 0.057 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 139.6 | -179.1 | -59.2 | 80.5 | 0 | 0 | 0 | 109.7 | K194 L195 K197 V199 F220 K221 E222 | W176-K194 CarbonylContact O-C 3.56Å; W176-K194 WeakPolarHBondContact O-CA 3.29Å; W176-L195 PolarHBondContact N-O 3.3Å; W176-L195 PolarHBondContact O-N 3.15Å; W176-K197 VanDerWaalsContact CE2-CE 3.42Å; W176-K197 HydrophobicContact CG-CG 4.31Å; W176-V199 HydrophobicContact CZ2-CG2 4.32Å; W176-F220 HydrophobicContact CB-CB 3.98Å; W176-F220 HydrophobicContact CB-CD1 3.63Å; W176-F220 HydrophobicContact CB-CG 4.17Å; W176-F220 HydrophobicContact CD2-CB 4.02Å; W176-F220 HydrophobicContact CE3-CB 3.57Å; W176-F220 HydrophobicContact CG-CB 4.21Å; W176-F220 HydrophobicContact CG-CD1 4.35Å; W176-F220 HydrophobicContact CZ3-CB 4.38Å; W176-K221 CarbonylContact C-O 3.5Å; W176-K221 WeakPolarHBondContact CA-O 3.46Å; W176-E222 HydrophobicContact CD2-CG 4.32Å; W176-E222 HydrophobicContact CE3-CG 3.71Å; W176-E222 HydrophobicContact CH2-CG 3.62Å; W176-E222 WeakPolarHBondContact CH2-OE1 3.43Å; W176-E222 HydrophobicContact CZ2-CG 4.23Å; W176-E222 HydrophobicContact CZ3-CB 4.49Å; W176-E222 HydrophobicContact CZ3-CG 3.34Å |
| 177 | E | 91.8 | Very high | 90.5 | Very high | 47 Ų | 47 | 71.5 Ų | 71.5 | 22% | 0.22 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 116.9 | 168.1 | -74.5 | -179.5 | 169.6 | 0 | 0 | 109.6 | L192 K194 K221 A223 | E177-L192 HydrophobicContact CB-CD1 4.38Å; E177-L192 HydrophobicContact CB-CD2 4.32Å; E177-L192 HydrophobicContact CB-CG 4.29Å; E177-L192 HydrophobicContact CG-CD2 4.21Å; E177-L192 WeakPolarHBondContact OE2-CD2 3.34Å; E177-K194 HydrophobicContact CG-CG 4.05Å; E177-K194 WeakPolarHBondContact OE1-CE 3.5Å; E177-K221 PolarHBondContact N-O 2.93Å; E177-K221 PolarHBondContact O-N 3.42Å; E177-A223 HydrophobicContact CG-CB 3.75Å |
| 178 | C | 88.5 | Confident | 90.8 | Very high | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 130.6 | 176.8 | -170.3 | 0 | 0 | 0 | 0 | 109.5 | F180 V193 F220 | C178-F180 PolarHBondContact O-N 2.94Å; C178-V193 PolarHBondContact N-O 3.01Å; C178-V193 PolarHBondContact O-N 3.09Å; C178-F220 HydrophobicContact CB-CD1 3.65Å; C178-F220 HydrophobicContact CB-CE1 3.52Å; C178-F220 HydrophobicContact CB-CZ 4.38Å |
| 179 | K | 90.6 | Very high | 91 | Very high | 127 Ų | 127 | 76 Ų | 76 | 55% | 0.552 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 104.2 | 166.6 | -172.8 | 176.6 | -178.9 | 178.8 | 0 | 108.9 | S190 | K179-S190 WeakPolarHBondContact CE-OG 3.19Å; K179-S190 WeakPolarHBondContact CG-OG 3.34Å |
| 180 | F | 92 | Very high | 91.1 | Very high | 27 Ų | 27 | 76.5 Ų | 76.5 | 12% | 0.118 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 111.7 | 178.3 | -177.1 | -123.9 | 0 | 0 | 0 | 110.6 | F103 I143 L145 C178 Y182 S190 A191 V193 | F103-F180 HydrophobicContact CD1-CD1 4.19Å; F103-F180 HydrophobicContact CD1-CE1 4.32Å; F103-F180 HydrophobicContact CD2-CE1 4.1Å; F103-F180 AromaticContact CE1-CD1 3.81Å; F103-F180 HydrophobicContact CE1-CD1 3.81Å; F103-F180 HydrophobicContact CE1-CE1 4.24Å; F103-F180 HydrophobicContact CE2-CD1 4.24Å; F103-F180 HydrophobicContact CE2-CE1 4Å; F103-F180 HydrophobicContact CG-CE1 4.27Å; F103-F180 AromaticContact CZ-CD1 3.84Å; F103-F180 HydrophobicContact CZ-CD1 3.84Å; F103-F180 HydrophobicContact CZ-CE1 4.09Å; I143-F180 HydrophobicContact CD1-CD2 4.28Å; L145-F180 HydrophobicContact CB-CE2 4.38Å; L145-F180 HydrophobicContact CD1-CB 3.83Å; L145-F180 HydrophobicContact CD1-CD1 4.46Å; L145-F180 HydrophobicContact CD1-CD2 3.56Å; L145-F180 HydrophobicContact CD1-CE2 4.19Å; L145-F180 HydrophobicContact CD1-CG 3.71Å; L145-F180 HydrophobicContact CG-CD2 4.26Å; L145-F180 HydrophobicContact CG-CE2 4.43Å; C178-F180 PolarHBondContact O-N 2.94Å; F180-Y182 AromaticContact CD1-CD1 3.46Å; F180-Y182 HydrophobicContact CD1-CD1 3.46Å; F180-Y182 VanDerWaalsContact CD1-CD1 3.46Å; F180-Y182 HydrophobicContact CD1-CE1 4.1Å; F180-Y182 HydrophobicContact CD1-CG 4.19Å; F180-Y182 AromaticContact CE1-CD1 3.55Å; F180-Y182 HydrophobicContact CE1-CD1 3.55Å; F180-Y182 HydrophobicContact CE1-CE1 4.38Å; F180-Y182 AromaticContact CE1-CG 3.8Å; F180-Y182 HydrophobicContact CE1-CG 3.8Å; F180-Y182 HydrophobicContact CG-CD1 4.37Å; F180-Y182 HydrophobicContact CZ-CG 4.5Å; F180-S190 CarbonylContact O-C 3.52Å; F180-S190 WeakPolarHBondContact O-CA 3.25Å; F180-A191 PolarHBondContact N-O 2.83Å; F180-A191 PolarHBondContact O-N 3.04Å; F180-V193 HydrophobicContact CB-CG2 3.98Å |
| 181 | N | 92.1 | Very high | 91.2 | Very high | 105 Ų | 105 | 69.7 Ų | 69.7 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 127.2 | 174 | -53 | -66.5 | 0 | 0 | 0 | 109 | K189 S190 | N181-K189 WeakPolarHBondContact CA-O 3.43Å; N181-S190 WeakPolarHBondContact OD1-CB 3.35Å; N181-S190 PolarHBondContact OD1-OG 2.91Å |
| 182 | Y | 91.8 | Very high | 91.4 | Very high | 34 Ų | 34 | 67.7 Ų | 67.7 | 13% | 0.133 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 163.3 | -178.4 | 61.7 | -80.9 | 0 | 0 | 0 | 110.8 | F103 F180 E184 K189 A191 | F103-Y182 HydrophobicContact CB-CD2 4.26Å; F103-Y182 HydrophobicContact CB-CE1 4.42Å; F103-Y182 HydrophobicContact CB-CE2 3.71Å; F103-Y182 HydrophobicContact CD1-CD1 4.32Å; F103-Y182 AromaticContact CD1-CE1 3.66Å; F103-Y182 HydrophobicContact CD1-CE1 3.66Å; F103-Y182 HydrophobicContact CD1-CE2 4.47Å; F103-Y182 AromaticContact CD1-CZ 3.75Å; F103-Y182 HydrophobicContact CE1-CE1 4.37Å; F103-Y182 HydrophobicContact CG-CE1 4.29Å; F103-Y182 HydrophobicContact CG-CE2 4.42Å; F180-Y182 AromaticContact CD1-CD1 3.46Å; F180-Y182 HydrophobicContact CD1-CD1 3.46Å; F180-Y182 VanDerWaalsContact CD1-CD1 3.46Å; F180-Y182 HydrophobicContact CD1-CE1 4.1Å; F180-Y182 HydrophobicContact CD1-CG 4.19Å; F180-Y182 AromaticContact CE1-CD1 3.55Å; F180-Y182 HydrophobicContact CE1-CD1 3.55Å; F180-Y182 HydrophobicContact CE1-CE1 4.38Å; F180-Y182 AromaticContact CE1-CG 3.8Å; F180-Y182 HydrophobicContact CE1-CG 3.8Å; F180-Y182 HydrophobicContact CG-CD1 4.37Å; F180-Y182 HydrophobicContact CZ-CG 4.5Å; Y182-E184 HydrophobicContact CD2-CB 4.09Å; Y182-E184 HydrophobicContact CE2-CB 4Å; Y182-K189 HydrophobicContact CD1-CB 4.46Å; Y182-K189 HydrophobicContact CD2-CB 4.26Å; Y182-K189 HydrophobicContact CE1-CB 3.97Å; Y182-K189 HydrophobicContact CE2-CB 3.76Å; Y182-K189 HydrophobicContact CE2-CD 4.07Å; Y182-K189 HydrophobicContact CE2-CG 4.44Å; Y182-K189 PolarHBondContact N-O 3.37Å; Y182-K189 PolarHBondContact O-N 2.86Å; Y182-K189 VanDerWaalsContact O-O 3.09Å; Y182-A191 HydrophobicContact CE1-CB 4.06Å |
| 183 | V | 92.4 | Very high | 91.6 | Very high | 102 Ų | 102 | 62.8 Ų | 62.8 | 62% | 0.618 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.1 | 175.4 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | E187 K188 | V183-E187 WeakPolarHBondContact CA-O 3.07Å; V183-K188 HydrophobicContact CG2-CG 4.19Å |
| 184 | E | 90.6 | Very high | 91.8 | Very high | 21 Ų | 21 | 66 Ų | 66 | 10% | 0.098 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 129.4 | 179.5 | -173.6 | 175.7 | -104.5 | 0 | 0 | 108.1 | K102 F103 Y182 G186 E187 K189 | K102-E184 WeakPolarHBondContact CA-OE1 3.2Å; K102-E184 WeakPolarHBondContact CB-OE1 3.33Å; F103-E184 PolarHBondContact N-OE1 3.27Å; Y182-E184 HydrophobicContact CD2-CB 4.09Å; Y182-E184 HydrophobicContact CE2-CB 4Å; E184-G186 PolarHBondContact O-N 3.5Å; E184-G186 VanDerWaalsContact O-N 3.09Å; E184-E187 PolarHBondContact N-O 3.01Å; E184-E187 PolarHBondContact O-N 2.9Å; E184-K189 HydrophobicContact CB-CD 4.18Å; E184-K189 IonicContact OE2-NZ 2.71Å; E184-K189 PolarHBondContact OE2-NZ 2.77Å |
| 185 | D | 88 | Confident | 91.9 | Very high | 137 Ų | 137 | 64.9 Ų | 64.9 | 73% | 0.733 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 31.3 | -175.1 | -57.9 | -37 | 0 | 0 | 0 | 114.1 | E187 | D185-E187 VanDerWaalsContact C-N 3.26Å; D185-E187 PolarHBondContact O-N 3.02Å |
| 186 | G | 91.1 | Very high | 91.9 | Very high | 70 Ų | 70 | 66.2 Ų | 66.2 | 72% | 0.722 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | -5.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E184 | E184-G186 PolarHBondContact O-N 3.5Å; E184-G186 VanDerWaalsContact O-N 3.09Å |
| 187 | E | 93.1 | Very high | 91.8 | Very high | 124 Ų | 124 | 66.6 Ų | 66.6 | 58% | 0.579 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 137.8 | 179.7 | -61.2 | -175 | 163.4 | 0 | 0 | 111.7 | V183 E184 D185 K189 | V183-E187 WeakPolarHBondContact CA-O 3.07Å; E184-E187 PolarHBondContact N-O 3.01Å; E184-E187 PolarHBondContact O-N 2.9Å; D185-E187 VanDerWaalsContact C-N 3.26Å; D185-E187 PolarHBondContact O-N 3.02Å; E187-K189 PolarHBondContact O-N 2.71Å |
| 188 | K | 94.5 | Very high | 91.5 | Very high | 194 Ų | 194 | 68.5 Ų | 68.5 | 84% | 0.843 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 113.1 | 173.8 | -68.4 | 179.8 | -178 | 177.5 | 0 | 109.4 | V183 | V183-K188 HydrophobicContact CG2-CG 4.19Å |
| 189 | K | 93.9 | Very high | 91.1 | Very high | 41 Ų | 41 | 70 Ų | 70 | 18% | 0.178 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 154.3 | 177 | -61.8 | -176.9 | -170.3 | 177 | 0 | 110.1 | N181 Y182 E184 E187 | N181-K189 WeakPolarHBondContact CA-O 3.43Å; Y182-K189 HydrophobicContact CD1-CB 4.46Å; Y182-K189 HydrophobicContact CD2-CB 4.26Å; Y182-K189 HydrophobicContact CE1-CB 3.97Å; Y182-K189 HydrophobicContact CE2-CB 3.76Å; Y182-K189 HydrophobicContact CE2-CD 4.07Å; Y182-K189 HydrophobicContact CE2-CG 4.44Å; Y182-K189 PolarHBondContact N-O 3.37Å; Y182-K189 PolarHBondContact O-N 2.86Å; Y182-K189 VanDerWaalsContact O-O 3.09Å; E184-K189 HydrophobicContact CB-CD 4.18Å; E184-K189 IonicContact OE2-NZ 2.71Å; E184-K189 PolarHBondContact OE2-NZ 2.77Å; E187-K189 PolarHBondContact O-N 2.71Å |
| 190 | S | 92.7 | Very high | 90.2 | Very high | 64 Ų | 64 | 67.1 Ų | 67.1 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 135.7 | 175.8 | 174 | 0 | 0 | 0 | 0 | 108.8 | K179 F180 N181 | K179-S190 WeakPolarHBondContact CE-OG 3.19Å; K179-S190 WeakPolarHBondContact CG-OG 3.34Å; F180-S190 CarbonylContact O-C 3.52Å; F180-S190 WeakPolarHBondContact O-CA 3.25Å; N181-S190 WeakPolarHBondContact OD1-CB 3.35Å; N181-S190 PolarHBondContact OD1-OG 2.91Å |
| 191 | A | 92.3 | Very high | 88.5 | Confident | 9 Ų | 9 | 71 Ų | 71 | 7% | 0.074 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 144.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110 | F103 L104 F180 Y182 V193 | F103-A191 HydrophobicContact CD1-CB 4.37Å; F103-A191 HydrophobicContact CE1-CB 3.96Å; L104-A191 HydrophobicContact CD1-CB 3.66Å; F180-A191 PolarHBondContact N-O 2.83Å; F180-A191 PolarHBondContact O-N 3.04Å; Y182-A191 HydrophobicContact CE1-CB 4.06Å; A191-V193 HydrophobicContact CB-CG2 4.24Å |
| 192 | L | 92.5 | Very high | 86.8 | Confident | 113 Ų | 113 | 68 Ų | 68 | 59% | 0.592 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 126.7 | 167.8 | -162.1 | 87.7 | 0 | 0 | 0 | 107.9 | E177 | E177-L192 HydrophobicContact CB-CD1 4.38Å; E177-L192 HydrophobicContact CB-CD2 4.32Å; E177-L192 HydrophobicContact CB-CG 4.29Å; E177-L192 HydrophobicContact CG-CD2 4.21Å; E177-L192 WeakPolarHBondContact OE2-CD2 3.34Å |
| 193 | V | 93.4 | Very high | 84.7 | Confident | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.012 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 135.7 | -172.7 | 178.3 | 0 | 0 | 0 | 0 | 109.4 | F103 C131 L145 W147 C178 F180 A191 | F103-V193 HydrophobicContact CE1-CG2 3.97Å; F103-V193 HydrophobicContact CZ-CG2 3.89Å; C131-V193 HydrophobicContact CB-CG1 3.44Å; C131-V193 VanDerWaalsContact CB-CG1 3.44Å; C131-V193 WeakPolarHBondContact SG-CG1 2.9Å; L145-V193 HydrophobicContact CD1-CB 4.47Å; L145-V193 HydrophobicContact CD1-CG1 4.36Å; W147-V193 HydrophobicContact CH2-CG1 4.44Å; C178-V193 PolarHBondContact N-O 3.01Å; C178-V193 PolarHBondContact O-N 3.09Å; F180-V193 HydrophobicContact CB-CG2 3.98Å; A191-V193 HydrophobicContact CB-CG2 4.24Å |
| 194 | K | 94.1 | Very high | 82.9 | Confident | 98 Ų | 98 | 74.9 Ų | 74.9 | 43% | 0.426 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128.7 | 175.9 | -65.7 | -179.4 | -179.7 | -177.1 | 0 | 110.6 | E129 Y130 C131 W176 E177 | E129-K194 WeakPolarHBondContact O-CB 3.44Å; Y130-K194 HydrophobicContact CD1-CB 4.32Å; C131-K194 PolarHBondContact N-O 3.44Å; W176-K194 CarbonylContact O-C 3.56Å; W176-K194 WeakPolarHBondContact O-CA 3.29Å; E177-K194 HydrophobicContact CG-CG 4.05Å; E177-K194 WeakPolarHBondContact OE1-CE 3.5Å |
| 195 | L | 92.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128.9 | 176.2 | -176.2 | 147.7 | 0 | 0 | 0 | 108.9 | L145 W176 K197 F220 | L145-L195 HydrophobicContact CD2-CD1 3.64Å; W176-L195 PolarHBondContact N-O 3.3Å; W176-L195 PolarHBondContact O-N 3.15Å; L195-K197 HydrophobicContact CD2-CB 3.74Å; L195-K197 HydrophobicContact CD2-CD 4.17Å; L195-K197 HydrophobicContact CD2-CG 3.85Å; L195-F220 HydrophobicContact CB-CE1 4.2Å; L195-F220 HydrophobicContact CD1-CE1 4.32Å; L195-F220 HydrophobicContact CD2-CE1 4.2Å; L195-F220 HydrophobicContact CG-CE1 4.48Å |
| 196 | R | 91 | Very high | 79.3 | Confident | 61 Ų | 61 | 78.9 Ų | 78.9 | 23% | 0.23 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 120.7 | 176.4 | -159.4 | 171.6 | -177.1 | 145.9 | -5 | 109.6 | Y130 G158 Q159 G163 L173 A174 | Y130-R196 HydrophobicContact CD1-CB 4.04Å; Y130-R196 HydrophobicContact CE1-CB 4.19Å; G158-R196 WeakPolarHBondContact O-CB 3.28Å; G158-R196 WeakPolarHBondContact O-CD 3.44Å; Q159-R196 VanDerWaalsContact O-CD 3.25Å; Q159-R196 WeakPolarHBondContact O-CD 3.49Å; Q159-R196 PolarHBondContact O-NE 3.37Å; Q159-R196 PolarHBondContact O-NH1 2.85Å; G163-R196 VanDerWaalsContact CA-O 3.29Å; G163-R196 WeakPolarHBondContact CA-O 3.32Å; G163-R196 PolarHBondContact N-O 3.48Å; L173-R196 HydrophobicContact CB-CG 4.19Å; A174-R196 CarbonylContact O-C 3.56Å; A174-R196 WeakPolarHBondContact O-CA 3.44Å; A174-R196 WeakPolarHBondContact O-CG 3.41Å |
| 197 | K | 89.1 | Confident | 77.9 | Confident | 22 Ų | 22 | 80.3 Ų | 80.3 | 10% | 0.096 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 159.2 | 177.9 | 57.6 | 171 | -177.3 | 175.9 | 0 | 110.3 | A174 W176 L195 V199 | A174-K197 PolarHBondContact N-O 3.24Å; A174-K197 PolarHBondContact O-N 2.76Å; W176-K197 VanDerWaalsContact CE2-CE 3.42Å; W176-K197 HydrophobicContact CG-CG 4.31Å; L195-K197 HydrophobicContact CD2-CB 3.74Å; L195-K197 HydrophobicContact CD2-CD 4.17Å; L195-K197 HydrophobicContact CD2-CG 3.85Å; K197-V199 PolarHBondContact O-N 3.37Å |
| 198 | F | 86.1 | Confident | 76.3 | Confident | 87 Ų | 87 | 77.8 Ų | 77.8 | 38% | 0.382 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 138 | 172.9 | 72 | -77.9 | 0 | 0 | 0 | 110.3 | D172 L173 V200 | D172-F198 CarbonylContact O-C 3.54Å; D172-F198 WeakPolarHBondContact O-CA 2.88Å; L173-F198 HydrophobicContact CD2-CB 4.33Å; F198-V200 HydrophobicContact CD2-CG2 3.84Å; F198-V200 HydrophobicContact CE2-CG2 3.36Å; F198-V200 HydrophobicContact CZ-CG2 4.27Å |
| 199 | V | 80.1 | Confident | 74.5 | Confident | 32 Ų | 32 | 71.3 Ų | 71.3 | 19% | 0.194 | 38% | 0.383 | C | S | . | . | trans | -85.5 | 122 | 170.3 | -174.2 | 0 | 0 | 0 | 0 | 106.6 | D172 A174 W176 K197 T201 | D172-V199 PolarHBondContact O-N 3.08Å; A174-V199 HydrophobicContact CB-CG2 3.12Å; W176-V199 HydrophobicContact CZ2-CG2 4.32Å; K197-V199 PolarHBondContact O-N 3.37Å; V199-T201 VanDerWaalsContact C-N 3.28Å; V199-T201 HydrophobicContact CB-CG2 4.12Å; V199-T201 HydrophobicContact CG1-CG2 3.59Å; V199-T201 PolarHBondContact O-N 3.19Å | ||
| 200 | V | 71 | Confident | 72.8 | Confident | 67 Ų | 67 | 73.5 Ų | 73.5 | 41% | 0.406 | 40% | 0.397 | S | S | . | . | trans | -77.6 | 89.1 | 165.5 | -176.4 | 0 | 0 | 0 | 0 | 107.2 | F198 G202 I204 | F198-V200 HydrophobicContact CD2-CG2 3.84Å; F198-V200 HydrophobicContact CE2-CG2 3.36Å; F198-V200 HydrophobicContact CZ-CG2 4.27Å; V200-G202 PolarHBondContact O-N 3.37Å; V200-I204 HydrophobicContact CG1-CD1 4.45Å; V200-I204 HydrophobicContact CG1-CG1 4.46Å | ||
| 201 | T | 56.6 | Low | 71.1 | Confident | 108 Ų | 108 | 74.5 Ų | 74.5 | 66% | 0.663 | 40% | 0.4 | S | S | * | . | trans | -79.1 | 57.4 | 170.7 | 50.3 | 0 | 0 | 0 | 0 | 109.6 | V199 | V199-T201 VanDerWaalsContact C-N 3.28Å; V199-T201 HydrophobicContact CB-CG2 4.12Å; V199-T201 HydrophobicContact CG1-CG2 3.59Å; V199-T201 PolarHBondContact O-N 3.19Å | ||
| 202 | G | 55.6 | Low | 69.3 | Low | 43 Ų | 43 | 75.9 Ų | 75.9 | 44% | 0.443 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -139.4 | 138.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V200 I204 | V200-G202 PolarHBondContact O-N 3.37Å; G202-I204 VanDerWaalsContact C-N 3.28Å; G202-I204 PolarHBondContact O-N 2.89Å |
| 203 | R | 49.1 | Very low | 67.6 | Low | 244 Ų | 244 | 74.4 Ų | 74.4 | 92% | 0.921 | 40% | 0.395 | S | S | * | . | trans | -57 | 87.1 | 172.1 | -63.2 | 171.1 | -172.8 | 175.5 | 2 | 109.5 | T205 | R203-T205 VanDerWaalsContact C-N 3.35Å; R203-T205 PolarHBondContact O-N 3.13Å | ||
| 204 | I | 53.9 | Low | 66 | Low | 35 Ų | 35 | 84.2 Ų | 84.2 | 18% | 0.179 | 43% | 0.432 | C | S | . | . | trans | -72 | 96.2 | 173.6 | -60.4 | 167.4 | 0 | 0 | 0 | 106.6 | V200 G202 Q206 V209 L210 F213 | V200-I204 HydrophobicContact CG1-CD1 4.45Å; V200-I204 HydrophobicContact CG1-CG1 4.46Å; G202-I204 VanDerWaalsContact C-N 3.28Å; G202-I204 PolarHBondContact O-N 2.89Å; I204-Q206 VanDerWaalsContact C-N 3.27Å; I204-V209 HydrophobicContact CD1-CG1 4.1Å; I204-V209 HydrophobicContact CG1-CG1 4.28Å; I204-V209 HydrophobicContact CG2-CB 3.37Å; I204-V209 HydrophobicContact CG2-CG1 3.48Å; I204-V209 VanDerWaalsContact CG2-CG1 3.48Å; I204-L210 HydrophobicContact CB-CD2 4.01Å; I204-L210 HydrophobicContact CB-CG 4.13Å; I204-L210 HydrophobicContact CG2-CD2 4.3Å; I204-L210 HydrophobicContact CG2-CG 3.9Å; I204-L210 WeakPolarHBondContact O-CD1 3.5Å; I204-L210 WeakPolarHBondContact O-CG 3.25Å; I204-F213 HydrophobicContact CD1-CB 3.92Å; I204-F213 HydrophobicContact CD1-CD2 3.99Å; I204-F213 HydrophobicContact CD1-CG 4.04Å | ||
| 205 | T | 49.4 | Very low | 64.5 | Low | 124 Ų | 124 | 82.4 Ų | 82.4 | 76% | 0.761 | 43% | 0.426 | S | S | * | . | trans | -81.5 | -7 | 176.8 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | R203 | R203-T205 VanDerWaalsContact C-N 3.35Å; R203-T205 PolarHBondContact O-N 3.13Å | ||
| 206 | Q | 53 | Low | 63.1 | Low | 119 Ų | 119 | 83.4 Ų | 83.4 | 56% | 0.556 | 43% | 0.432 | S | S | * | . | trans | -92.6 | 121.1 | 178.4 | -65.1 | -143.5 | -12.2 | 0 | 0 | 111.8 | I204 S208 V209 L210 | I204-Q206 VanDerWaalsContact C-N 3.27Å; Q206-S208 VanDerWaalsContact C-N 3.27Å; Q206-S208 PolarHBondContact O-N 3.47Å; Q206-V209 HydrophobicContact CB-CB 4.23Å; Q206-V209 HydrophobicContact CB-CG2 3.94Å; Q206-V209 PolarHBondContact O-N 2.93Å; Q206-V209 VanDerWaalsContact O-N 3.09Å; Q206-L210 PolarHBondContact O-N 3.38Å | ||
| 207 | P | 61.8 | Low | 61.7 | Low | 99 Ų | 99 | 82.2 Ų | 82.2 | 64% | 0.643 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -58.2 | -36.7 | -178.8 | -23.5 | 31.8 | 0 | 0 | 0 | 113.5 | V209 L210 T211 | P207-V209 VanDerWaalsContact C-N 3.34Å; P207-V209 PolarHBondContact O-N 2.84Å; P207-L210 PolarHBondContact O-N 3.41Å; P207-T211 PolarHBondContact O-N 2.92Å; P207-T211 PolarHBondContact O-OG1 3.34Å |
| 208 | S | 60.2 | Low | 60.5 | Low | 71 Ų | 71 | 84.5 Ų | 84.5 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 177.3 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | Q206 L212 | Q206-S208 VanDerWaalsContact C-N 3.27Å; Q206-S208 PolarHBondContact O-N 3.47Å; S208-L212 VanDerWaalsContact O-CG 3.22Å; S208-L212 WeakPolarHBondContact O-CG 3.35Å; S208-L212 PolarHBondContact O-N 3.49Å; S208-L212 VanDerWaalsContact O-N 3.12Å |
| 209 | V | 56.8 | Low | 59.5 | Low | 58 Ų | 58 | 83 Ų | 83 | 35% | 0.352 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -76.5 | -29.7 | 179.2 | -171.6 | 0 | 0 | 0 | 0 | 111.1 | I204 Q206 P207 L212 F213 | I204-V209 HydrophobicContact CD1-CG1 4.1Å; I204-V209 HydrophobicContact CG1-CG1 4.28Å; I204-V209 HydrophobicContact CG2-CB 3.37Å; I204-V209 HydrophobicContact CG2-CG1 3.48Å; I204-V209 VanDerWaalsContact CG2-CG1 3.48Å; Q206-V209 HydrophobicContact CB-CB 4.23Å; Q206-V209 HydrophobicContact CB-CG2 3.94Å; Q206-V209 PolarHBondContact O-N 2.93Å; Q206-V209 VanDerWaalsContact O-N 3.09Å; P207-V209 VanDerWaalsContact C-N 3.34Å; P207-V209 PolarHBondContact O-N 2.84Å; V209-L212 WeakPolarHBondContact O-CB 3.42Å; V209-L212 PolarHBondContact O-N 3.06Å; V209-F213 WeakPolarHBondContact O-CB 3.4Å; V209-F213 PolarHBondContact O-N 3.16Å |
| 210 | L | 57.7 | Low | 58.8 | Low | 87 Ų | 87 | 81.8 Ų | 81.8 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 170.8 | -80.7 | 169.2 | 0 | 0 | 0 | 112.3 | I204 Q206 P207 L212 F213 R214 | I204-L210 HydrophobicContact CB-CD2 4.01Å; I204-L210 HydrophobicContact CB-CG 4.13Å; I204-L210 HydrophobicContact CG2-CD2 4.3Å; I204-L210 HydrophobicContact CG2-CG 3.9Å; I204-L210 WeakPolarHBondContact O-CD1 3.5Å; I204-L210 WeakPolarHBondContact O-CG 3.25Å; Q206-L210 PolarHBondContact O-N 3.38Å; P207-L210 PolarHBondContact O-N 3.41Å; L210-L212 VanDerWaalsContact C-N 3.3Å; L210-L212 PolarHBondContact O-N 2.93Å; L210-F213 PolarHBondContact O-N 2.8Å; L210-R214 WeakPolarHBondContact O-CB 3.47Å; L210-R214 PolarHBondContact O-N 2.81Å |
| 211 | T | 57.2 | Low | 58.9 | Low | 85 Ų | 85 | 86.3 Ų | 86.3 | 52% | 0.521 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 174.3 | -57.4 | 0 | 0 | 0 | 0 | 110.6 | P207 F213 R214 I215 | P207-T211 PolarHBondContact O-N 2.92Å; P207-T211 PolarHBondContact O-OG1 3.34Å; T211-F213 PolarHBondContact O-N 3.33Å; T211-R214 PolarHBondContact O-N 2.89Å; T211-I215 HydrophobicContact CG2-CD1 4.01Å; T211-I215 VanDerWaalsContact O-CG1 3.32Å; T211-I215 WeakPolarHBondContact O-CG1 3.25Å; T211-I215 PolarHBondContact O-N 3.35Å |
| 212 | L | 53.7 | Low | 59.4 | Low | 38 Ų | 38 | 87.4 Ų | 87.4 | 20% | 0.199 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 173.4 | -71.1 | 166.9 | 0 | 0 | 0 | 111.9 | F138 K139 S208 V209 L210 V216 | F138-L212 HydrophobicContact CD2-CD2 4.43Å; F138-L212 HydrophobicContact CE1-CD2 4.2Å; F138-L212 HydrophobicContact CE2-CB 3.99Å; F138-L212 HydrophobicContact CE2-CD2 3.32Å; F138-L212 HydrophobicContact CE2-CG 4.23Å; F138-L212 HydrophobicContact CZ-CB 3.96Å; F138-L212 HydrophobicContact CZ-CD1 4.43Å; F138-L212 HydrophobicContact CZ-CD2 3.22Å; F138-L212 HydrophobicContact CZ-CG 4.03Å; K139-L212 HydrophobicContact CD-CD2 3.86Å; K139-L212 HydrophobicContact CG-CD2 3.4Å; K139-L212 VanDerWaalsContact CG-CD2 3.4Å; S208-L212 VanDerWaalsContact O-CG 3.22Å; S208-L212 WeakPolarHBondContact O-CG 3.35Å; S208-L212 PolarHBondContact O-N 3.49Å; S208-L212 VanDerWaalsContact O-N 3.12Å; V209-L212 WeakPolarHBondContact O-CB 3.42Å; V209-L212 PolarHBondContact O-N 3.06Å; L210-L212 VanDerWaalsContact C-N 3.3Å; L210-L212 PolarHBondContact O-N 2.93Å; L212-V216 VanDerWaalsContact O-CG2 3.3Å; L212-V216 WeakPolarHBondContact O-CG2 3.42Å; L212-V216 PolarHBondContact O-N 2.86Å; L212-V216 VanDerWaalsContact O-N 3.13Å |
| 213 | F | 58.3 | Low | 59.8 | Low | 83 Ų | 83 | 90.1 Ų | 90.1 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64 | -42 | 176.8 | -170.4 | -96.4 | 0 | 0 | 0 | 111.7 | I204 V209 L210 T211 V216 S217 | I204-F213 HydrophobicContact CD1-CB 3.92Å; I204-F213 HydrophobicContact CD1-CD2 3.99Å; I204-F213 HydrophobicContact CD1-CG 4.04Å; V209-F213 WeakPolarHBondContact O-CB 3.4Å; V209-F213 PolarHBondContact O-N 3.16Å; L210-F213 PolarHBondContact O-N 2.8Å; T211-F213 PolarHBondContact O-N 3.33Å; F213-V216 PolarHBondContact O-N 2.8Å; F213-S217 WeakPolarHBondContact CE1-OG 3.36Å; F213-S217 VanDerWaalsContact O-CB 3.29Å; F213-S217 WeakPolarHBondContact O-CB 3.42Å; F213-S217 PolarHBondContact O-N 2.75Å; F213-S217 PolarHBondContact O-OG 3.27Å |
| 214 | R | 59.8 | Low | 60.4 | Low | 208 Ų | 208 | 82.5 Ų | 82.5 | 79% | 0.785 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.7 | -39.6 | 179.5 | -165.9 | 177.1 | -173.7 | 133.9 | 0.5 | 112.9 | L210 T211 G218 | L210-R214 WeakPolarHBondContact O-CB 3.47Å; L210-R214 PolarHBondContact O-N 2.81Å; T211-R214 PolarHBondContact O-N 2.89Å; R214-G218 PolarHBondContact O-N 2.78Å |
| 215 | I | 62.9 | Low | 60.7 | Low | 60 Ų | 60 | 84.9 Ų | 84.9 | 31% | 0.308 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64 | -48 | 175.8 | -68.2 | 166.6 | 0 | 0 | 0 | 109.7 | T211 G218 M219 | T211-I215 HydrophobicContact CG2-CD1 4.01Å; T211-I215 VanDerWaalsContact O-CG1 3.32Å; T211-I215 WeakPolarHBondContact O-CG1 3.25Å; T211-I215 PolarHBondContact O-N 3.35Å; I215-G218 PolarHBondContact O-N 3.28Å; I215-M219 WeakPolarHBondContact O-CG 3.49Å; I215-M219 PolarHBondContact O-N 2.87Å |
| 216 | V | 60.9 | Low | 61.3 | Low | 20 Ų | 20 | 82.8 Ų | 82.8 | 12% | 0.121 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -64.7 | -53.7 | 179 | 175 | 0 | 0 | 0 | 0 | 110.2 | F138 L212 F213 G218 M219 F220 | F138-V216 HydrophobicContact CD2-CG2 3.32Å; F138-V216 HydrophobicContact CE2-CG2 3.37Å; F138-V216 HydrophobicContact CG-CG2 4.17Å; F138-V216 HydrophobicContact CZ-CG2 4.25Å; L212-V216 VanDerWaalsContact O-CG2 3.3Å; L212-V216 WeakPolarHBondContact O-CG2 3.42Å; L212-V216 PolarHBondContact O-N 2.86Å; L212-V216 VanDerWaalsContact O-N 3.13Å; F213-V216 PolarHBondContact O-N 2.8Å; V216-G218 PolarHBondContact O-N 3.01Å; V216-M219 WeakPolarHBondContact O-CA 3.02Å; V216-M219 WeakPolarHBondContact O-CB 3.47Å; V216-M219 PolarHBondContact O-N 2.7Å; V216-F220 HydrophobicContact CG1-CD2 3.59Å; V216-F220 HydrophobicContact CG1-CE2 3.8Å; V216-F220 WeakPolarHBondContact O-CD2 3.37Å; V216-F220 PolarHBondContact O-N 2.9Å; V216-F220 VanDerWaalsContact O-N 3.13Å |
| 217 | S | 62.2 | Low | 61.8 | Low | 36 Ų | 36 | 80.6 Ų | 80.6 | 25% | 0.252 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.8 | -26.7 | 177.5 | -64.4 | 0 | 0 | 0 | 0 | 113.8 | F213 M219 | F213-S217 WeakPolarHBondContact CE1-OG 3.36Å; F213-S217 VanDerWaalsContact O-CB 3.29Å; F213-S217 WeakPolarHBondContact O-CB 3.42Å; F213-S217 PolarHBondContact O-N 2.75Å; F213-S217 PolarHBondContact O-OG 3.27Å; S217-M219 VanDerWaalsContact C-N 3.28Å; S217-M219 PolarHBondContact O-N 3.26Å |
| 218 | G | 63.6 | Low | 61.8 | Low | 70 Ų | 70 | 79.5 Ų | 79.5 | 72% | 0.722 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -68 | -26.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R214 I215 V216 | R214-G218 PolarHBondContact O-N 2.78Å; I215-G218 PolarHBondContact O-N 3.28Å; V216-G218 PolarHBondContact O-N 3.01Å |
| 219 | M | 65.5 | Low | 61.9 | Low | 56 Ų | 56 | 80.1 Ų | 80.1 | 28% | 0.276 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -87.8 | -26.4 | 177.5 | -65.7 | -178.8 | 70.7 | 0 | 0 | 113.3 | I143 I215 V216 S217 | I143-M219 HydrophobicContact CD1-CE 3.8Å; I143-M219 HydrophobicContact CG1-CE 4.26Å; I143-M219 HydrophobicContact CG2-CE 4.09Å; I215-M219 WeakPolarHBondContact O-CG 3.49Å; I215-M219 PolarHBondContact O-N 2.87Å; V216-M219 WeakPolarHBondContact O-CA 3.02Å; V216-M219 WeakPolarHBondContact O-CB 3.47Å; V216-M219 PolarHBondContact O-N 2.7Å; S217-M219 VanDerWaalsContact C-N 3.28Å; S217-M219 PolarHBondContact O-N 3.26Å |
| 220 | F | 66.2 | Low | 62.3 | Low | 6 Ų | 6 | 81.6 Ų | 81.6 | 3% | 0.026 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 114.7 | -173.7 | -72.2 | -79.8 | 0 | 0 | 0 | 110.2 | L135 W176 C178 L195 V216 | L135-F220 HydrophobicContact CD1-CZ 4.47Å; L135-F220 HydrophobicContact CD2-CE2 4.32Å; L135-F220 HydrophobicContact CD2-CZ 4.14Å; W176-F220 HydrophobicContact CB-CB 3.98Å; W176-F220 HydrophobicContact CB-CD1 3.63Å; W176-F220 HydrophobicContact CB-CG 4.17Å; W176-F220 HydrophobicContact CD2-CB 4.02Å; W176-F220 HydrophobicContact CE3-CB 3.57Å; W176-F220 HydrophobicContact CG-CB 4.21Å; W176-F220 HydrophobicContact CG-CD1 4.35Å; W176-F220 HydrophobicContact CZ3-CB 4.38Å; C178-F220 HydrophobicContact CB-CD1 3.65Å; C178-F220 HydrophobicContact CB-CE1 3.52Å; C178-F220 HydrophobicContact CB-CZ 4.38Å; L195-F220 HydrophobicContact CB-CE1 4.2Å; L195-F220 HydrophobicContact CD1-CE1 4.32Å; L195-F220 HydrophobicContact CD2-CE1 4.2Å; L195-F220 HydrophobicContact CG-CE1 4.48Å; V216-F220 HydrophobicContact CG1-CD2 3.59Å; V216-F220 HydrophobicContact CG1-CE2 3.8Å; V216-F220 WeakPolarHBondContact O-CD2 3.37Å; V216-F220 PolarHBondContact O-N 2.9Å; V216-F220 VanDerWaalsContact O-N 3.13Å |
| 221 | K | 71.9 | Confident | 62.7 | Low | 162 Ų | 162 | 81.2 Ų | 81.2 | 70% | 0.704 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 140.3 | 165.7 | -68.8 | -177.1 | 177.4 | -175.5 | 0 | 108.5 | W176 E177 | W176-K221 CarbonylContact C-O 3.5Å; W176-K221 WeakPolarHBondContact CA-O 3.46Å; E177-K221 PolarHBondContact N-O 2.93Å; E177-K221 PolarHBondContact O-N 3.42Å |
| 222 | E | 68 | Low | 63.1 | Low | 132 Ų | 132 | 80.9 Ų | 80.9 | 62% | 0.617 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 137.3 | 166.3 | -71.7 | -176.6 | 160 | 0 | 0 | 108.5 | W176 | W176-E222 HydrophobicContact CD2-CG 4.32Å; W176-E222 HydrophobicContact CE3-CG 3.71Å; W176-E222 HydrophobicContact CH2-CG 3.62Å; W176-E222 WeakPolarHBondContact CH2-OE1 3.43Å; W176-E222 HydrophobicContact CZ2-CG 4.23Å; W176-E222 HydrophobicContact CZ3-CB 4.49Å; W176-E222 HydrophobicContact CZ3-CG 3.34Å |
| 223 | A | 64.4 | Low | 64 | Low | 100 Ų | 100 | 84.8 Ų | 84.8 | 83% | 0.826 | 46% | 0.455 | S | S | * | . | trans | -79.8 | 0 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S175 E177 | S175-A223 PolarHBondContact O-N 2.73Å; E177-A223 HydrophobicContact CG-CB 3.75Å |
Retrieved 223 of 223 residues in 1036.2 ms
(Link to these results)