| 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 | 40.4 | Very low | 50.4 | Low | 244 Ų | 244 | 146.7 Ų | 146.7 | 100% | 1.202 | 79% | 0.794 | S | S | * | * | 0 | 107.9 | 0 | -67.5 | 152.6 | 91.8 | 0 | 0 | 106.4 | |||||
| 2 | S | 51.3 | Low | 50.4 | Low | 116 Ų | 116 | 144.3 Ų | 144.3 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -85.3 | 118.5 | -174.6 | -170.4 | 0 | 0 | 0 | 0 | 108.9 | F4 | S2-F4 PolarHBondContact O-N 3.41Š| ||
| 3 | V | 48.4 | Very low | 50.9 | Low | 136 Ų | 136 | 147.2 Ų | 147.2 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -81.5 | 103.4 | 172.5 | -73.7 | 0 | 0 | 0 | 0 | 108.3 | S5 | V3-S5 PolarHBondContact O-N 3.32Š| ||
| 4 | F | 48.9 | Very low | 52 | Low | 187 Ų | 187 | 144.6 Ų | 144.6 | 82% | 0.82 | 78% | 0.78 | S | S | * | * | trans | -89 | 93.9 | 173 | -153.2 | -93.7 | 0 | 0 | 0 | 107.3 | S2 P6 | S2-F4 PolarHBondContact O-N 3.41Å; F4-P6 WeakPolarHBondContact O-CD 3.46Å | ||
| 5 | S | 52.8 | Low | 52.8 | Low | 98 Ų | 98 | 141.4 Ų | 141.4 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | -76.4 | 120.2 | 170.9 | -70 | 0 | 0 | 0 | 0 | 108.7 | V3 Q7 | V3-S5 PolarHBondContact O-N 3.32Å; S5-Q7 PolarHBondContact O-N 2.95Å; S5-Q7 VanDerWaalsContact O-N 3.14Å | ||
| 6 | P | 53.2 | Low | 54 | Low | 103 Ų | 103 | 140.4 Ų | 140.4 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | trans | -69.9 | 114.4 | 169.4 | 28.9 | -29.1 | 0 | 0 | 0 | 107.2 | F4 I8 | F4-P6 WeakPolarHBondContact O-CD 3.46Å; P6-I8 VanDerWaalsContact C-N 3.34Å; P6-I8 PolarHBondContact O-N 3.14Å | ||
| 7 | Q | 48.5 | Very low | 55.2 | Low | 188 Ų | 188 | 136.1 Ų | 136.1 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | trans | -59.2 | 100.5 | 165.6 | -74.5 | -112.2 | 63.4 | 0 | 0 | 107.4 | S5 Y9 | S5-Q7 PolarHBondContact O-N 2.95Å; S5-Q7 VanDerWaalsContact O-N 3.14Å; Q7-Y9 VanDerWaalsContact C-N 3.3Å; Q7-Y9 PolarHBondContact O-N 2.92Å | ||
| 8 | I | 51.8 | Low | 56.5 | Low | 145 Ų | 145 | 135.3 Ų | 135.3 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | trans | -69.2 | 97.3 | 170.7 | -45.4 | -174.9 | 0 | 0 | 0 | 105.4 | P6 C10 | P6-I8 VanDerWaalsContact C-N 3.34Å; P6-I8 PolarHBondContact O-N 3.14Å; I8-C10 PolarHBondContact O-N 3.09Å | ||
| 9 | Y | 50 | Low | 57.5 | Low | 195 Ų | 195 | 136.6 Ų | 136.6 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | trans | -67.2 | 95.5 | 173.5 | 179.5 | -97.8 | 0 | 0 | 0 | 107.6 | Q7 P11 | Q7-Y9 VanDerWaalsContact C-N 3.3Å; Q7-Y9 PolarHBondContact O-N 2.92Å; Y9-P11 HydrophobicContact CE1-CB 4.22Å; Y9-P11 VanDerWaalsContact O-CD 3.23Å; Y9-P11 WeakPolarHBondContact O-CD 3.23Å | ||
| 10 | C | 53.6 | Low | 58.4 | Low | 105 Ų | 105 | 134.5 Ų | 134.5 | 71% | 0.709 | 74% | 0.738 | S | S | * | * | trans | -75.7 | 111.5 | 166.1 | -61.3 | 0 | 0 | 0 | 0 | 107 | I8 V12 | I8-C10 PolarHBondContact O-N 3.09Å; C10-V12 PolarHBondContact O-N 2.99Å; C10-V12 VanDerWaalsContact O-N 3.09Å | ||
| 11 | P | 56.1 | Low | 59.3 | Low | 97 Ų | 97 | 134 Ų | 134 | 63% | 0.63 | 73% | 0.731 | S | S | * | * | trans | -65.6 | 116.8 | 166.3 | 29.2 | -30 | 0 | 0 | 0 | 106.5 | Y9 | Y9-P11 HydrophobicContact CE1-CB 4.22Å; Y9-P11 VanDerWaalsContact O-CD 3.23Å; Y9-P11 WeakPolarHBondContact O-CD 3.23Å | ||
| 12 | V | 50.4 | Low | 61 | Low | 118 Ų | 118 | 126.1 Ų | 126.1 | 72% | 0.715 | 70% | 0.696 | S | S | * | * | trans | 21.6 | 111.8 | 149.3 | -174 | 0 | 0 | 0 | 0 | 114.1 | C10 V14 | C10-V12 PolarHBondContact O-N 2.99Å; C10-V12 VanDerWaalsContact O-N 3.09Å; V12-V14 PolarHBondContact O-N 2.81Å | ||
| 13 | F | 56.2 | Low | 62.1 | Low | 181 Ų | 181 | 127.8 Ų | 127.8 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | trans | -40.1 | 100.9 | 163.1 | 180 | -97.5 | 0 | 0 | 0 | 109.7 | P15 | F13-P15 HydrophobicContact CD1-CG 4.34Å; F13-P15 HydrophobicContact CE1-CB 4.37Å; F13-P15 HydrophobicContact CE1-CG 4.33Å; F13-P15 VanDerWaalsContact O-CD 3.3Å; F13-P15 WeakPolarHBondContact O-CD 3.3Å | ||
| 14 | V | 66.4 | Low | 63.3 | Low | 112 Ų | 112 | 128.2 Ų | 128.2 | 68% | 0.679 | 69% | 0.688 | S | S | * | * | trans | -78.5 | 114.4 | 169 | -178.8 | 0 | 0 | 0 | 0 | 104.2 | V12 V16 | V12-V14 PolarHBondContact O-N 2.81Å; V14-V16 PolarHBondContact O-N 2.95Å | ||
| 15 | P | 64.1 | Low | 64.4 | Low | 96 Ų | 96 | 122.9 Ų | 122.9 | 62% | 0.623 | 67% | 0.674 | S | S | * | * | trans | -58.8 | 111.6 | 172.9 | -17.1 | 30.7 | 0 | 0 | 0 | 107.1 | F13 | F13-P15 HydrophobicContact CD1-CG 4.34Å; F13-P15 HydrophobicContact CE1-CB 4.37Å; F13-P15 HydrophobicContact CE1-CG 4.33Å; F13-P15 VanDerWaalsContact O-CD 3.3Å; F13-P15 WeakPolarHBondContact O-CD 3.3Å | ||
| 16 | V | 72.1 | Confident | 65 | Low | 126 Ų | 126 | 124.6 Ų | 124.6 | 76% | 0.764 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 124.7 | 169.2 | -179.3 | 0 | 0 | 0 | 0 | 105.1 | V14 D18 | V14-V16 PolarHBondContact O-N 2.95Å; V16-D18 PolarHBondContact O-N 3.39Å |
| 17 | P | 74.6 | Confident | 65.7 | Low | 67 Ų | 67 | 125.6 Ų | 125.6 | 44% | 0.435 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -58.1 | 136.3 | 178.3 | 21 | -29.8 | 0 | 0 | 0 | 109.5 | E21 V22 | P17-E21 HydrophobicContact CB-CB 4.31Å; P17-V22 HydrophobicContact CB-CG2 4.08Å; P17-V22 HydrophobicContact CG-CG2 3.99Å |
| 18 | D | 77.6 | Confident | 66.4 | Low | 121 Ų | 121 | 120 Ų | 120 | 65% | 0.647 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 146.7 | 174.7 | -95.9 | -50.5 | 0 | 0 | 0 | 109.1 | V16 T20 E21 V22 | V16-D18 PolarHBondContact O-N 3.39Å; D18-T20 PolarHBondContact O-N 3.26Å; D18-E21 WeakPolarHBondContact O-CB 3.34Å; D18-E21 PolarHBondContact O-N 3.47Å; D18-V22 PolarHBondContact O-N 3.08Å |
| 19 | M | 76.6 | Confident | 66.6 | Low | 160 Ų | 160 | 119.6 Ų | 119.6 | 79% | 0.788 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -53.8 | -28.3 | -179.5 | -73.4 | -171.9 | 63.1 | 0 | 0 | 112.4 | M23 | M19-M23 WeakPolarHBondContact O-CG 3.42Å; M19-M23 PolarHBondContact O-N 3.1Å |
| 20 | T | 75.4 | Confident | 67.1 | Low | 95 Ų | 95 | 116.6 Ų | 116.6 | 58% | 0.583 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.2 | -39.9 | 175.1 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | D18 M23 M24 | D18-T20 PolarHBondContact O-N 3.26Å; T20-M23 PolarHBondContact O-N 3.25Å; T20-M24 WeakPolarHBondContact O-CG 3.47Å; T20-M24 PolarHBondContact O-N 2.87Å; T20-M24 VanDerWaalsContact O-N 3.11Å |
| 21 | E | 77.8 | Confident | 67.2 | Low | 123 Ų | 123 | 118.8 Ų | 118.8 | 58% | 0.575 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -67.7 | -38.9 | 178.7 | -167.4 | -177.1 | 171.3 | 0 | 0 | 111.3 | P17 D18 M23 M24 S25 | P17-E21 HydrophobicContact CB-CB 4.31Å; D18-E21 WeakPolarHBondContact O-CB 3.34Å; D18-E21 PolarHBondContact O-N 3.47Å; E21-M23 VanDerWaalsContact C-N 3.34Å; E21-M23 PolarHBondContact O-N 2.85Å; E21-M24 PolarHBondContact O-N 3.28Å; E21-S25 PolarHBondContact O-N 2.97Å; E21-S25 VanDerWaalsContact O-N 3.1Å |
| 22 | V | 75.7 | Confident | 67.2 | Low | 79 Ų | 79 | 117.5 Ų | 117.5 | 48% | 0.479 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -62.8 | -40.8 | 175.4 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | P17 D18 M24 S25 | P17-V22 HydrophobicContact CB-CG2 4.08Å; P17-V22 HydrophobicContact CG-CG2 3.99Å; D18-V22 PolarHBondContact O-N 3.08Å; V22-M24 VanDerWaalsContact C-N 3.32Å; V22-M24 PolarHBondContact O-N 3.09Å; V22-S25 PolarHBondContact O-N 3.3Å; V22-S25 PolarHBondContact O-OG 3.48Å |
| 23 | M | 74.5 | Confident | 67.6 | Low | 151 Ų | 151 | 122.3 Ų | 122.3 | 74% | 0.744 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.9 | -29.2 | 177.6 | -68.9 | -179.8 | 79.4 | 0 | 0 | 113.1 | M19 T20 E21 S25 N26 | M19-M23 WeakPolarHBondContact O-CG 3.42Å; M19-M23 PolarHBondContact O-N 3.1Å; T20-M23 PolarHBondContact O-N 3.25Å; E21-M23 VanDerWaalsContact C-N 3.34Å; E21-M23 PolarHBondContact O-N 2.85Å; M23-S25 VanDerWaalsContact C-N 3.32Å; M23-N26 PolarHBondContact O-OD1 2.82Å |
| 24 | M | 73 | Confident | 67.5 | Low | 146 Ų | 146 | 119.1 Ų | 119.1 | 72% | 0.719 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -80.6 | -12.9 | 176.4 | -67.1 | 177.5 | 76.7 | 0 | 0 | 113.3 | T20 E21 V22 N26 | T20-M24 WeakPolarHBondContact O-CG 3.47Å; T20-M24 PolarHBondContact O-N 2.87Å; T20-M24 VanDerWaalsContact O-N 3.11Å; E21-M24 PolarHBondContact O-N 3.28Å; V22-M24 VanDerWaalsContact C-N 3.32Å; V22-M24 PolarHBondContact O-N 3.09Å; M24-N26 PolarHBondContact O-N 3.11Å; M24-N26 PolarHBondContact O-OD1 2.68Å; M24-N26 VanDerWaalsContact O-OD1 3.09Å |
| 25 | S | 72.7 | Confident | 66.7 | Low | 75 Ų | 75 | 117.3 Ų | 117.3 | 52% | 0.524 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -74.6 | 72.9 | 169.7 | 73.8 | 0 | 0 | 0 | 0 | 109.6 | E21 V22 M23 T27 | E21-S25 PolarHBondContact O-N 2.97Å; E21-S25 VanDerWaalsContact O-N 3.1Å; V22-S25 PolarHBondContact O-N 3.3Å; V22-S25 PolarHBondContact O-OG 3.48Å; M23-S25 VanDerWaalsContact C-N 3.32Å; S25-T27 VanDerWaalsContact C-N 3.32Å; S25-T27 PolarHBondContact O-N 3.33Å |
| 26 | N | 65.8 | Low | 66.3 | Low | 134 Ų | 134 | 119.5 Ų | 119.5 | 72% | 0.717 | 64% | 0.643 | S | S | * | * | trans | -67.2 | 88.2 | -179.8 | -65.7 | 23.6 | 0 | 0 | 0 | 109.7 | M23 M24 P28 | M23-N26 PolarHBondContact O-OD1 2.82Å; M24-N26 PolarHBondContact O-N 3.11Å; M24-N26 PolarHBondContact O-OD1 2.68Å; M24-N26 VanDerWaalsContact O-OD1 3.09Å; N26-P28 WeakPolarHBondContact O-CD 3.21Å | ||
| 27 | T | 67.3 | Low | 65.4 | Low | 124 Ų | 124 | 117.3 Ų | 117.3 | 76% | 0.761 | 63% | 0.633 | S | S | * | * | trans | -63.5 | 119.9 | 153.7 | 50.9 | 0 | 0 | 0 | 0 | 106.8 | S25 M29 | S25-T27 VanDerWaalsContact C-N 3.32Å; S25-T27 PolarHBondContact O-N 3.33Å; T27-M29 PolarHBondContact O-N 3.06Å | ||
| 28 | P | 62 | Low | 64.4 | Low | 71 Ų | 71 | 123.4 Ų | 123.4 | 46% | 0.461 | 65% | 0.652 | S | S | . | * | trans | -64.5 | 129.7 | -173.4 | 31.5 | -38.2 | 0 | 0 | 0 | 109.4 | N26 E30 D31 | N26-P28 WeakPolarHBondContact O-CD 3.21Å; P28-E30 WeakPolarHBondContact CA-OE1 3.16Å; P28-E30 HydrophobicContact CB-CG 3.7Å; P28-E30 WeakPolarHBondContact CB-OE1 3.36Å; P28-E30 HydrophobicContact CG-CG 4.32Å; P28-E30 PolarHBondContact O-N 3.35Å; P28-D31 PolarHBondContact O-N 2.86Å | ||
| 29 | M | 57.8 | Low | 63.3 | Low | 136 Ų | 136 | 124.6 Ų | 124.6 | 67% | 0.67 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -62.3 | -12.7 | -175.9 | -179 | -177.2 | 177.7 | 0 | 0 | 112.4 | T27 D31 M32 | T27-M29 PolarHBondContact O-N 3.06Å; M29-D31 VanDerWaalsContact C-N 3.27Å; M29-D31 PolarHBondContact O-N 3.18Å; M29-M32 HydrophobicContact CE-CE 4.31Å; M29-M32 HydrophobicContact CG-CB 4.1Å; M29-M32 HydrophobicContact CG-CE 4.06Å; M29-M32 WeakPolarHBondContact O-CA 3.1Å; M29-M32 WeakPolarHBondContact O-CB 3.49Å; M29-M32 PolarHBondContact O-N 3.23Å |
| 30 | E | 59.3 | Low | 62.5 | Low | 131 Ų | 131 | 123 Ų | 123 | 61% | 0.612 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -57 | -33.4 | 177.1 | 17.4 | -79 | 104 | 0 | 0 | 113.9 | P28 M32 R33 | P28-E30 WeakPolarHBondContact CA-OE1 3.16Å; P28-E30 HydrophobicContact CB-CG 3.7Å; P28-E30 WeakPolarHBondContact CB-OE1 3.36Å; P28-E30 HydrophobicContact CG-CG 4.32Å; P28-E30 PolarHBondContact O-N 3.35Å; E30-M32 PolarHBondContact O-N 3.06Å; E30-R33 WeakPolarHBondContact O-CG 3.08Å; E30-R33 PolarHBondContact O-N 2.83Å |
| 31 | D | 56.6 | Low | 61.9 | Low | 152 Ų | 152 | 126.5 Ų | 126.5 | 81% | 0.813 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -78 | -11.5 | 173.7 | -76 | -32.2 | 0 | 0 | 0 | 113 | P28 M29 R33 | P28-D31 PolarHBondContact O-N 2.86Å; M29-D31 VanDerWaalsContact C-N 3.27Å; M29-D31 PolarHBondContact O-N 3.18Å; D31-R33 VanDerWaalsContact C-N 3.26Å |
| 32 | M | 55.8 | Low | 60.9 | Low | 70 Ų | 70 | 123.6 Ų | 123.6 | 35% | 0.345 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -87.5 | 5.7 | 174.6 | -127.6 | 163 | 81.1 | 0 | 0 | 112.2 | M29 E30 L34 F43 | M29-M32 HydrophobicContact CE-CE 4.31Å; M29-M32 HydrophobicContact CG-CB 4.1Å; M29-M32 HydrophobicContact CG-CE 4.06Å; M29-M32 WeakPolarHBondContact O-CA 3.1Å; M29-M32 WeakPolarHBondContact O-CB 3.49Å; M29-M32 PolarHBondContact O-N 3.23Å; E30-M32 PolarHBondContact O-N 3.06Å; M32-L34 VanDerWaalsContact C-N 3.25Å; M32-L34 PolarHBondContact O-N 3.35Å; M32-F43 HydrophobicContact CE-CD1 4.39Å; M32-F43 HydrophobicContact CE-CD2 3.43Å; M32-F43 VanDerWaalsContact CE-CD2 3.43Å; M32-F43 HydrophobicContact CE-CE2 3.65Å; M32-F43 HydrophobicContact CE-CG 3.85Å; M32-F43 HydrophobicContact CE-CZ 4.23Å; M32-F43 HydrophobicContact CG-CD2 3.59Å; M32-F43 HydrophobicContact CG-CE2 3.34Å; M32-F43 HydrophobicContact CG-CZ 4.4Å; M32-F43 HydrophobicContact SD-CD2 3.55Å; M32-F43 VanDerWaalsContact SD-CD2 3.55Å; M32-F43 HydrophobicContact SD-CE1 4.49Å; M32-F43 HydrophobicContact SD-CE2 3.1Å; M32-F43 WeakPolarHBondContact SD-CE2 3.32Å; M32-F43 HydrophobicContact SD-CG 4.41Å; M32-F43 HydrophobicContact SD-CZ 3.66Å |
| 33 | R | 58.8 | Low | 60 | Low | 218 Ų | 218 | 125.5 Ų | 125.5 | 82% | 0.823 | 65% | 0.654 | S | S | * | * | trans | -66.4 | 92.7 | 168.1 | -73.2 | -158.4 | -176.7 | -143.3 | 3.3 | 108.7 | E30 D31 S35 | E30-R33 WeakPolarHBondContact O-CG 3.08Å; E30-R33 PolarHBondContact O-N 2.83Å; D31-R33 VanDerWaalsContact C-N 3.26Å; R33-S35 PolarHBondContact O-N 3.47Å | ||
| 34 | L | 53.9 | Low | 59.7 | Low | 115 Ų | 115 | 122.5 Ų | 122.5 | 60% | 0.602 | 64% | 0.638 | S | S | * | * | trans | -52.4 | 101.6 | 169.5 | -54.9 | 178 | 0 | 0 | 0 | 107.9 | M32 S42 | M32-L34 VanDerWaalsContact C-N 3.25Å; M32-L34 PolarHBondContact O-N 3.35Å; L34-S42 WeakPolarHBondContact CD2-OG 3.37Å | ||
| 35 | S | 50.1 | Low | 59.7 | Low | 74 Ų | 74 | 122.4 Ų | 122.4 | 52% | 0.517 | 64% | 0.639 | S | S | . | * | trans | -55.8 | 146.8 | 155.8 | 65.9 | 0 | 0 | 0 | 0 | 106.9 | R33 S37 | R33-S35 PolarHBondContact O-N 3.47Å; S35-S37 PolarHBondContact O-N 2.94Å; S35-S37 PolarHBondContact OG-OG 3.46Å | ||
| 36 | P | 54.6 | Low | 59.6 | Low | 141 Ų | 141 | 127 Ų | 127 | 92% | 0.916 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -60.3 | 4.6 | 177.9 | -21.9 | 32 | 0 | 0 | 0 | 114.4 | K38 | P36-K38 PolarHBondContact O-N 3.3Å; P36-K38 VanDerWaalsContact O-N 3.12Å |
| 37 | S | 53.8 | Low | 59.8 | Low | 80 Ų | 80 | 124.4 Ų | 124.4 | 56% | 0.559 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -82.1 | 97.4 | -171.9 | 64.2 | 0 | 0 | 0 | 0 | 111.1 | S35 D39 | S35-S37 PolarHBondContact O-N 2.94Å; S35-S37 PolarHBondContact OG-OG 3.46Å; S37-D39 PolarHBondContact O-N 3.01Å |
| 38 | K | 53.3 | Low | 60.2 | Low | 195 Ų | 195 | 121.5 Ų | 121.5 | 85% | 0.848 | 62% | 0.62 | S | S | * | * | S | Bend | trans | 50.4 | 9.4 | 133.5 | -159.7 | 166.6 | 167.7 | -179.1 | 0 | 120.4 | P36 | P36-K38 PolarHBondContact O-N 3.3Å; P36-K38 VanDerWaalsContact O-N 3.12Å |
| 39 | D | 55.4 | Low | 60.6 | Low | 146 Ų | 146 | 123.5 Ų | 123.5 | 78% | 0.781 | 63% | 0.633 | S | S | * | * | trans | -128.6 | 90.3 | 170.3 | -70.9 | -68.6 | 0 | 0 | 0 | 109.6 | S37 L41 | S37-D39 PolarHBondContact O-N 3.01Å; D39-L41 PolarHBondContact O-N 2.89Å | ||
| 40 | R | 59.6 | Low | 61.3 | Low | 127 Ų | 127 | 120.6 Ų | 120.6 | 48% | 0.479 | 63% | 0.626 | S | S | . | * | trans | -67 | 45.3 | -175.2 | -74.1 | -176.8 | 63.5 | -167.3 | -0.1 | 114.5 | D48 D51 R54 | R40-D48 IonicContact CZ-OD2 3.36Å; R40-D48 IonicContact NE-OD2 3.65Å; R40-D48 IonicContact NH2-OD2 3.05Å; R40-D48 PolarHBondContact NH2-OD2 3.08Å; R40-D51 IonicContact CZ-OD1 3.56Å; R40-D51 IonicContact NH1-OD1 3.59Å; R40-D51 VanDerWaalsContact NH2-CG 3.33Å; R40-D51 IonicContact NH2-OD1 2.69Å; R40-D51 PolarHBondContact NH2-OD1 3.43Å; R40-D51 IonicContact NH2-OD2 3.16Å; R40-D51 PolarHBondContact NH2-OD2 2.86Å; R40-D51 VanDerWaalsContact NH2-OD2 3.16Å; R40-R54 VanDerWaalsContact NH1-NH1 3.18Å | ||
| 41 | L | 62.4 | Low | 61.6 | Low | 169 Ų | 169 | 115.1 Ų | 115.1 | 89% | 0.885 | 60% | 0.601 | S | S | * | * | trans | -144.7 | 90.1 | 176.6 | -65.2 | 174.3 | 0 | 0 | 0 | 110.6 | D39 | D39-L41 PolarHBondContact O-N 2.89Š| ||
| 42 | S | 56.4 | Low | 61.9 | Low | 61 Ų | 61 | 114.6 Ų | 114.6 | 43% | 0.427 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -152.2 | -40.9 | 134.7 | 60.1 | 0 | 0 | 0 | 0 | 114.2 | L34 | L34-S42 WeakPolarHBondContact CD2-OG 3.37Š|
| 43 | F | 57.5 | Low | 62.3 | Low | 120 Ų | 120 | 116.6 Ų | 116.6 | 53% | 0.526 | 60% | 0.604 | S | S | . | * | trans | -152 | 72 | -179.1 | -50.2 | -81.8 | 0 | 0 | 0 | 114 | M32 I45 | M32-F43 HydrophobicContact CE-CD1 4.39Å; M32-F43 HydrophobicContact CE-CD2 3.43Å; M32-F43 VanDerWaalsContact CE-CD2 3.43Å; M32-F43 HydrophobicContact CE-CE2 3.65Å; M32-F43 HydrophobicContact CE-CG 3.85Å; M32-F43 HydrophobicContact CE-CZ 4.23Å; M32-F43 HydrophobicContact CG-CD2 3.59Å; M32-F43 HydrophobicContact CG-CE2 3.34Å; M32-F43 HydrophobicContact CG-CZ 4.4Å; M32-F43 HydrophobicContact SD-CD2 3.55Å; M32-F43 VanDerWaalsContact SD-CD2 3.55Å; M32-F43 HydrophobicContact SD-CE1 4.49Å; M32-F43 HydrophobicContact SD-CE2 3.1Å; M32-F43 WeakPolarHBondContact SD-CE2 3.32Å; M32-F43 HydrophobicContact SD-CG 4.41Å; M32-F43 HydrophobicContact SD-CZ 3.66Å; F43-I45 PolarHBondContact O-N 3.44Å | ||
| 44 | Q | 68.6 | Low | 62.3 | Low | 88 Ų | 88 | 112.3 Ų | 112.3 | 41% | 0.411 | 59% | 0.588 | S | S | . | * | trans | -86.9 | 95.2 | 169.4 | 179.7 | 157.2 | 12.1 | 0 | 0 | 109.2 | F46 D48 | Q44-F46 VanDerWaalsContact C-N 3.29Å; Q44-F46 WeakPolarHBondContact CG-O 2.95Å; Q44-F46 PolarHBondContact NE2-O 3.35Å; Q44-F46 PolarHBondContact O-N 3.03Å; Q44-D48 PolarHBondContact NE2-OD1 3.21Å; Q44-D48 PolarHBondContact NE2-OD2 3.14Å | ||
| 45 | I | 72.1 | Confident | 62.5 | Low | 144 Ų | 144 | 111.2 Ų | 111.2 | 74% | 0.738 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -69.3 | -30.4 | -178.1 | -57.5 | 171.3 | 0 | 0 | 0 | 111.2 | F43 | F43-I45 PolarHBondContact O-N 3.44Š|
| 46 | F | 69.8 | Low | 62.7 | Low | 171 Ų | 171 | 112 Ų | 112 | 75% | 0.75 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -115.9 | 118.3 | 173.4 | -64 | -73.7 | 0 | 0 | 0 | 110 | Q44 | Q44-F46 VanDerWaalsContact C-N 3.29Å; Q44-F46 WeakPolarHBondContact CG-O 2.95Å; Q44-F46 PolarHBondContact NE2-O 3.35Å; Q44-F46 PolarHBondContact O-N 3.03Å |
| 47 | P | 71 | Confident | 62.9 | Low | 79 Ų | 79 | 112.6 Ų | 112.6 | 51% | 0.513 | 58% | 0.581 | S | S | . | * | trans | -59.8 | 145.4 | 179.3 | 24.7 | -32.6 | 0 | 0 | 0 | 110.7 | D51 | P47-D51 WeakPolarHBondContact CA-OD2 3.22Å; P47-D51 HydrophobicContact CB-CB 3.93Å | ||
| 48 | D | 74.7 | Confident | 63.1 | Low | 63 Ų | 63 | 115.9 Ų | 115.9 | 34% | 0.337 | 59% | 0.592 | S | S | . | * | trans | -64.5 | 149.7 | 173.7 | -75 | -35.4 | 0 | 0 | 0 | 108.7 | R40 Q44 S50 D51 | R40-D48 IonicContact CZ-OD2 3.36Å; R40-D48 IonicContact NE-OD2 3.65Å; R40-D48 IonicContact NH2-OD2 3.05Å; R40-D48 PolarHBondContact NH2-OD2 3.08Å; Q44-D48 PolarHBondContact NE2-OD1 3.21Å; Q44-D48 PolarHBondContact NE2-OD2 3.14Å; D48-S50 PolarHBondContact O-N 2.82Å; D48-D51 PolarHBondContact N-OD2 3.4Å; D48-D51 VanDerWaalsContact O-CB 3.22Å; D48-D51 WeakPolarHBondContact O-CB 3.48Å; D48-D51 PolarHBondContact O-N 2.92Å | ||
| 49 | P | 71.8 | Confident | 63.4 | Low | 113 Ų | 113 | 115.4 Ų | 115.4 | 73% | 0.734 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -52.6 | -30 | 174.1 | -25.2 | 32.7 | 0 | 0 | 0 | 112.7 | D51 | P49-D51 VanDerWaalsContact C-N 3.33Å; P49-D51 PolarHBondContact O-N 3.44Å |
| 50 | S | 71.3 | Confident | 63.7 | Low | 76 Ų | 76 | 115.9 Ų | 115.9 | 53% | 0.531 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -79.7 | -4.9 | 176.5 | -47.7 | 0 | 0 | 0 | 0 | 114.7 | D48 R54 | D48-S50 PolarHBondContact O-N 2.82Å; S50-R54 PolarHBondContact O-NH1 2.73Å; S50-R54 VanDerWaalsContact O-NH1 3.11Å |
| 51 | D | 65.3 | Low | 64.2 | Low | 16 Ų | 16 | 119 Ų | 119 | 9% | 0.086 | 60% | 0.604 | C | S | . | * | G | 310 helix | trans | -78 | -27.6 | 174.3 | -67.4 | -10.8 | 0 | 0 | 0 | 111.9 | R40 P47 D48 P49 D53 R54 C55 | R40-D51 IonicContact CZ-OD1 3.56Å; R40-D51 IonicContact NH1-OD1 3.59Å; R40-D51 VanDerWaalsContact NH2-CG 3.33Å; R40-D51 IonicContact NH2-OD1 2.69Å; R40-D51 PolarHBondContact NH2-OD1 3.43Å; R40-D51 IonicContact NH2-OD2 3.16Å; R40-D51 PolarHBondContact NH2-OD2 2.86Å; R40-D51 VanDerWaalsContact NH2-OD2 3.16Å; P47-D51 WeakPolarHBondContact CA-OD2 3.22Å; P47-D51 HydrophobicContact CB-CB 3.93Å; D48-D51 PolarHBondContact N-OD2 3.4Å; D48-D51 VanDerWaalsContact O-CB 3.22Å; D48-D51 WeakPolarHBondContact O-CB 3.48Å; D48-D51 PolarHBondContact O-N 2.92Å; P49-D51 VanDerWaalsContact C-N 3.33Å; P49-D51 PolarHBondContact O-N 3.44Å; D51-D53 VanDerWaalsContact C-N 3.28Å; D51-D53 PolarHBondContact O-N 3.29Å; D51-R54 PolarHBondContact O-N 2.69Å; D51-R54 IonicContact OD1-CZ 2.97Å; D51-R54 IonicContact OD1-NH1 2.63Å; D51-R54 PolarHBondContact OD1-NH1 2.82Å; D51-R54 IonicContact OD1-NH2 2.63Å; D51-R54 PolarHBondContact OD1-NH2 3.35Å; D51-C55 PolarHBondContact O-N 3.49Å |
| 52 | F | 63.1 | Low | 64.7 | Low | 140 Ų | 140 | 118.2 Ų | 118.2 | 61% | 0.614 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -55.8 | -44 | 174.9 | -98.6 | -96.7 | 0 | 0 | 0 | 111.4 | R54 C56 | F52-R54 PolarHBondContact O-N 2.77Å; F52-C56 VanDerWaalsContact O-CB 3.22Å; F52-C56 WeakPolarHBondContact O-CB 3.22Å; F52-C56 PolarHBondContact O-N 2.63Å; F52-C56 VanDerWaalsContact O-N 3.08Å; F52-C56 PolarHBondContact O-SG 3.11Å |
| 53 | D | 64.3 | Low | 65.2 | Low | 113 Ų | 113 | 121.2 Ų | 121.2 | 60% | 0.604 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.5 | -21.4 | 179.5 | -76.3 | -52.8 | 0 | 0 | 0 | 114.4 | D51 | D51-D53 VanDerWaalsContact C-N 3.28Å; D51-D53 PolarHBondContact O-N 3.29Å |
| 54 | R | 58.8 | Low | 66.2 | Low | 128 Ų | 128 | 118.8 Ų | 118.8 | 48% | 0.483 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -97 | -39.7 | -176.6 | -45 | -159.7 | -54.2 | -83.2 | -2 | 111.7 | R40 S50 D51 F52 | R40-R54 VanDerWaalsContact NH1-NH1 3.18Å; S50-R54 PolarHBondContact O-NH1 2.73Å; S50-R54 VanDerWaalsContact O-NH1 3.11Å; D51-R54 PolarHBondContact O-N 2.69Å; D51-R54 IonicContact OD1-CZ 2.97Å; D51-R54 IonicContact OD1-NH1 2.63Å; D51-R54 PolarHBondContact OD1-NH1 2.82Å; D51-R54 IonicContact OD1-NH2 2.63Å; D51-R54 PolarHBondContact OD1-NH2 3.35Å; F52-R54 PolarHBondContact O-N 2.77Å |
| 55 | C | 57.7 | Low | 66.5 | Low | 91 Ų | 91 | 121.7 Ų | 121.7 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.8 | -31.2 | 178.8 | -69.1 | 0 | 0 | 0 | 0 | 112.7 | D51 K57 | D51-C55 PolarHBondContact O-N 3.49Å; C55-K57 PolarHBondContact O-N 2.63Å |
| 56 | C | 55.4 | Low | 66.8 | Low | 90 Ų | 90 | 120.8 Ų | 120.8 | 61% | 0.608 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -7.7 | -178.6 | -67.9 | 0 | 0 | 0 | 0 | 114.7 | F52 | F52-C56 VanDerWaalsContact O-CB 3.22Å; F52-C56 WeakPolarHBondContact O-CB 3.22Å; F52-C56 PolarHBondContact O-N 2.63Å; F52-C56 VanDerWaalsContact O-N 3.08Å; F52-C56 PolarHBondContact O-SG 3.11Å |
| 57 | K | 58.2 | Low | 67.2 | Low | 155 Ų | 155 | 117.8 Ų | 117.8 | 67% | 0.674 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -2.1 | -177.9 | -68.9 | 178.9 | -176.9 | 162.7 | 0 | 114.5 | C55 K59 | C55-K57 PolarHBondContact O-N 2.63Å; K57-K59 PolarHBondContact O-N 3.16Å |
| 58 | L | 59.5 | Low | 67.8 | Low | 149 Ų | 149 | 121.6 Ų | 121.6 | 78% | 0.78 | 64% | 0.64 | S | S | * | * | trans | -76.2 | 68.8 | 163.5 | -61.3 | 178.2 | 0 | 0 | 0 | 108 | D60 | L58-D60 PolarHBondContact O-N 2.93Š| ||
| 59 | K | 58.5 | Low | 67.6 | Low | 184 Ų | 184 | 124.8 Ų | 124.8 | 80% | 0.8 | 66% | 0.664 | S | S | * | * | trans | -75.6 | 21.6 | -173.5 | 57.7 | 169.4 | 165.1 | 156.9 | 0 | 114.4 | K57 R61 | K57-K59 PolarHBondContact O-N 3.16Å; K59-R61 VanDerWaalsContact C-N 3.34Å | ||
| 60 | D | 61.3 | Low | 67.5 | Low | 157 Ų | 157 | 125.2 Ų | 125.2 | 84% | 0.84 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -99.1 | 79.4 | 158.2 | -67.5 | -36 | 0 | 0 | 0 | 105.8 | L58 L62 | L58-D60 PolarHBondContact O-N 2.93Å; D60-L62 PolarHBondContact O-N 2.69Å |
| 61 | R | 70.9 | Confident | 67.4 | Low | 192 Ų | 192 | 131.1 Ų | 131.1 | 73% | 0.725 | 68% | 0.684 | S | S | * | * | trans | -32.3 | 121.1 | 178.3 | -178 | 175.7 | -179.5 | -92.1 | 2.7 | 110.5 | K59 S64 | K59-R61 VanDerWaalsContact C-N 3.34Å; R61-S64 PolarHBondContact NH1-OG 3.34Å | ||
| 62 | L | 72.3 | Confident | 67.4 | Low | 153 Ų | 153 | 133 Ų | 133 | 80% | 0.801 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 139 | 172.4 | -72.3 | 171.2 | 0 | 0 | 0 | 109.5 | D60 S64 | D60-L62 PolarHBondContact O-N 2.69Å; L62-S64 PolarHBondContact O-N 3.06Å |
| 63 | P | 68.3 | Low | 67.6 | Low | 124 Ų | 124 | 135.9 Ų | 135.9 | 81% | 0.805 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 118.4 | -176.2 | 22.8 | -32.2 | 0 | 0 | 0 | 109.6 | I65 | P63-I65 PolarHBondContact O-N 3.17Š|
| 64 | S | 76.7 | Confident | 67.2 | Low | 68 Ų | 68 | 133.8 Ų | 133.8 | 48% | 0.476 | 71% | 0.713 | S | S | . | * | P | Polyproline II helix | trans | -77.6 | 121.2 | 177.5 | 56.8 | 0 | 0 | 0 | 0 | 109.1 | R61 L62 | R61-S64 PolarHBondContact NH1-OG 3.34Å; L62-S64 PolarHBondContact O-N 3.06Å |
| 65 | I | 75.1 | Confident | 67.4 | Low | 149 Ų | 149 | 137.3 Ų | 137.3 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 132 | 170.1 | -170.5 | 168.9 | 0 | 0 | 0 | 109.3 | P63 V67 | P63-I65 PolarHBondContact O-N 3.17Å; I65-V67 HydrophobicContact CD1-CG2 3.97Å; I65-V67 HydrophobicContact CG1-CG2 3.95Å |
| 66 | V | 79.3 | Confident | 67.7 | Low | 125 Ų | 125 | 137.8 Ų | 137.8 | 76% | 0.758 | 74% | 0.739 | S | S | * | * | trans | -104.7 | 119.8 | 165.4 | -178.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 67 | V | 78.1 | Confident | 68.2 | Low | 108 Ų | 108 | 137 Ų | 137 | 66% | 0.655 | 75% | 0.746 | S | S | * | * | trans | -105.6 | 120.3 | 171.3 | -179.3 | 0 | 0 | 0 | 0 | 106.4 | I65 | I65-V67 HydrophobicContact CD1-CG2 3.97Å; I65-V67 HydrophobicContact CG1-CG2 3.95Å | ||
| 68 | E | 83.2 | Confident | 68.8 | Low | 159 Ų | 159 | 136.7 Ų | 136.7 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | trans | -73.5 | 131.9 | 170.9 | -64.7 | -172.4 | 144.8 | 0 | 0 | 108.2 | T70 | E68-T70 PolarHBondContact O-N 3.5Š| ||
| 69 | P | 69.8 | Low | 69 | Low | 130 Ų | 130 | 137.9 Ų | 137.9 | 84% | 0.844 | 75% | 0.753 | S | S | * | * | trans | -56.8 | 115.5 | 174.7 | -21 | 31.5 | 0 | 0 | 0 | 108.9 | E71 | P69-E71 PolarHBondContact O-N 3.34Š| ||
| 70 | T | 69.8 | Low | 69.8 | Low | 122 Ų | 122 | 137.9 Ų | 137.9 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | -82.7 | 114.6 | 176.2 | -57.3 | 0 | 0 | 0 | 0 | 107.9 | E68 | E68-T70 PolarHBondContact O-N 3.5Š| ||
| 71 | E | 69.9 | Low | 70.3 | Confident | 201 Ų | 201 | 140.9 Ų | 140.9 | 94% | 0.939 | 75% | 0.748 | S | S | * | * | trans | -92.1 | 96.1 | 171 | -173.9 | 175.6 | -167.3 | 0 | 0 | 108 | P69 | P69-E71 PolarHBondContact O-N 3.34Š| ||
| 72 | G | 66 | Low | 70.6 | Confident | 54 Ų | 54 | 135 Ų | 135 | 56% | 0.557 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 172.7 | 145.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V74 | G72-V74 PolarHBondContact O-N 3.07Š|
| 73 | E | 66.1 | Low | 70.7 | Confident | 201 Ų | 201 | 129.5 Ų | 129.5 | 94% | 0.939 | 71% | 0.708 | S | S | * | * | trans | -67 | 113 | 171.2 | 41.9 | -169.4 | 153.9 | 0 | 0 | 110.1 | E75 | E73-E75 PolarHBondContact O-N 3.12Š| ||
| 74 | V | 56.4 | Low | 70.7 | Confident | 70 Ų | 70 | 130.2 Ų | 130.2 | 42% | 0.424 | 70% | 0.701 | S | S | . | * | trans | -81.2 | 104.8 | -179.3 | -71.4 | 0 | 0 | 0 | 0 | 110.1 | G72 S76 | G72-V74 PolarHBondContact O-N 3.07Å; V74-S76 PolarHBondContact O-N 3.34Å; V74-S76 VanDerWaalsContact O-N 3.08Å | ||
| 75 | E | 63 | Low | 70.2 | Confident | 202 Ų | 202 | 135.6 Ų | 135.6 | 94% | 0.944 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -70.9 | 2.8 | 174.6 | -132.1 | 175.8 | 178.3 | 0 | 0 | 112.9 | E73 | E73-E75 PolarHBondContact O-N 3.12Š|
| 76 | S | 64.9 | Low | 69.7 | Low | 100 Ų | 100 | 135.7 Ų | 135.7 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -126.1 | 59.5 | -175.3 | 2.9 | 0 | 0 | 0 | 0 | 111.8 | V74 E78 | V74-S76 PolarHBondContact O-N 3.34Å; V74-S76 VanDerWaalsContact O-N 3.08Å; S76-E78 VanDerWaalsContact C-N 3.3Å; S76-E78 PolarHBondContact O-N 2.87Å |
| 77 | G | 65.6 | Low | 69.2 | Low | 73 Ų | 73 | 135 Ų | 135 | 75% | 0.753 | 71% | 0.705 | S | S | * | * | trans | 50.2 | 28.4 | 145.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | L79 | G77-L79 PolarHBondContact O-N 3.05Š| ||
| 78 | E | 70 | Confident | 68.5 | Low | 149 Ų | 149 | 136.4 Ų | 136.4 | 70% | 0.696 | 71% | 0.713 | S | S | * | * | trans | -72.8 | 109.4 | 171.1 | -68.5 | -170.1 | 139.6 | 0 | 0 | 108.7 | S76 R80 | S76-E78 VanDerWaalsContact C-N 3.3Å; S76-E78 PolarHBondContact O-N 2.87Å; E78-R80 PolarHBondContact O-N 2.78Å; E78-R80 VanDerWaalsContact O-N 3.14Å | ||
| 79 | L | 64.7 | Low | 67.3 | Low | 174 Ų | 174 | 133.3 Ų | 133.3 | 91% | 0.911 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 117.5 | 177.3 | -67.7 | 173.7 | 0 | 0 | 0 | 109.3 | G77 W81 | G77-L79 PolarHBondContact O-N 3.05Å; L79-W81 PolarHBondContact O-N 2.88Å |
| 80 | R | 75.5 | Confident | 66.7 | Low | 184 Ų | 184 | 136.8 Ų | 136.8 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 129.1 | 175.9 | -55.4 | -177.7 | 91 | 102.8 | -0.9 | 108.4 | E78 P82 | E78-R80 PolarHBondContact O-N 2.78Å; E78-R80 VanDerWaalsContact O-N 3.14Å; R80-P82 CarbonylContact O-C 3.18Å; R80-P82 VanDerWaalsContact O-O 3.07Å |
| 81 | W | 71.4 | Confident | 66 | Low | 221 Ų | 221 | 139.2 Ų | 139.2 | 84% | 0.837 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -89.4 | 131.8 | 162.5 | -117.1 | 118.7 | 0 | 0 | 0 | 107.7 | L79 P83 | L79-W81 PolarHBondContact O-N 2.88Å; W81-P83 VanDerWaalsContact CE3-CD 3.48Å; W81-P83 VanDerWaalsContact CH2-CD 3.46Å; W81-P83 HydrophobicContact CH2-CG 3.96Å; W81-P83 HydrophobicContact CZ2-CG 4.37Å; W81-P83 HydrophobicContact CZ3-CG 4.16Å |
| 82 | P | 75.9 | Confident | 65.2 | Low | 67 Ų | 67 | 138.5 Ų | 138.5 | 44% | 0.435 | 71% | 0.714 | S | S | . | * | S | Bend | cis | -71.7 | 149.6 | -7.6 | -8.9 | 26.4 | 0 | 0 | 0 | 114.6 | R80 E84 | R80-P82 CarbonylContact O-C 3.18Å; R80-P82 VanDerWaalsContact O-O 3.07Å; P82-E84 PolarHBondContact O-N 3.15Å |
| 83 | P | 74.4 | Confident | 64.5 | Low | 38 Ų | 38 | 145 Ų | 145 | 25% | 0.247 | 73% | 0.73 | C | S | . | * | P | Polyproline II helix | trans | -53.4 | 136.9 | 172.9 | -11.1 | 18.3 | 0 | 0 | 0 | 108.6 | W81 E85 F86 | W81-P83 VanDerWaalsContact CE3-CD 3.48Å; W81-P83 VanDerWaalsContact CH2-CD 3.46Å; W81-P83 HydrophobicContact CH2-CG 3.96Å; W81-P83 HydrophobicContact CZ2-CG 4.37Å; W81-P83 HydrophobicContact CZ3-CG 4.16Å; P83-E85 PolarHBondContact O-N 3Å; P83-E85 VanDerWaalsContact O-N 3.08Å; P83-F86 HydrophobicContact CB-CD2 3.85Å; P83-F86 HydrophobicContact CB-CE2 4.29Å; P83-F86 HydrophobicContact CG-CD2 3.84Å; P83-F86 HydrophobicContact CG-CE2 4.13Å; P83-F86 PolarHBondContact O-N 2.89Å |
| 84 | E | 68 | Low | 63.6 | Low | 140 Ų | 140 | 144 Ų | 144 | 65% | 0.654 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -58.8 | -27.1 | -173 | -66.5 | 166.9 | -179.1 | 0 | 0 | 111.6 | P82 F86 L87 | P82-E84 PolarHBondContact O-N 3.15Å; E84-F86 PolarHBondContact O-N 3.12Å; E84-F86 VanDerWaalsContact O-N 3.12Å; E84-L87 PolarHBondContact O-N 3.08Å; E84-L87 VanDerWaalsContact O-N 3.15Å |
| 85 | E | 68.1 | Low | 63 | Low | 180 Ų | 180 | 148.5 Ų | 148.5 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -62.1 | -15.5 | 173.9 | -59.2 | 176.8 | -84.8 | 0 | 0 | 114.4 | P83 | P83-E85 PolarHBondContact O-N 3Å; P83-E85 VanDerWaalsContact O-N 3.08Å |
| 86 | F | 63.4 | Low | 62.3 | Low | 151 Ų | 151 | 147.7 Ų | 147.7 | 66% | 0.662 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -105.9 | 1.4 | 179.3 | -66.6 | -91 | 0 | 0 | 0 | 113.5 | P83 E84 V88 | P83-F86 HydrophobicContact CB-CD2 3.85Å; P83-F86 HydrophobicContact CB-CE2 4.29Å; P83-F86 HydrophobicContact CG-CD2 3.84Å; P83-F86 HydrophobicContact CG-CE2 4.13Å; P83-F86 PolarHBondContact O-N 2.89Å; E84-F86 PolarHBondContact O-N 3.12Å; E84-F86 VanDerWaalsContact O-N 3.12Å; F86-V88 PolarHBondContact O-N 3.32Å |
| 87 | L | 69.1 | Low | 61.4 | Low | 110 Ų | 110 | 152.2 Ų | 152.2 | 58% | 0.576 | 75% | 0.753 | S | S | * | * | trans | -83.9 | 98.6 | 168.7 | -60 | 178.3 | 0 | 0 | 0 | 107.6 | E84 S89 | E84-L87 PolarHBondContact O-N 3.08Å; E84-L87 VanDerWaalsContact O-N 3.15Å; L87-S89 PolarHBondContact O-N 3.16Å; L87-S89 VanDerWaalsContact O-N 3.1Å | ||
| 88 | V | 62.8 | Low | 60.4 | Low | 138 Ų | 138 | 157.4 Ų | 157.4 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | trans | -69.2 | 105.3 | 171.3 | 179.3 | 0 | 0 | 0 | 0 | 106.9 | F86 E90 | F86-V88 PolarHBondContact O-N 3.32Å; V88-E90 PolarHBondContact O-N 3.1Å; V88-E90 VanDerWaalsContact O-N 3.16Å | ||
| 89 | S | 58.6 | Low | 59.1 | Low | 95 Ų | 95 | 158.8 Ų | 158.8 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | trans | -57.8 | 116.3 | 175.1 | -62.1 | 0 | 0 | 0 | 0 | 109.8 | L87 E91 | L87-S89 PolarHBondContact O-N 3.16Å; L87-S89 VanDerWaalsContact O-N 3.1Å; S89-E91 VanDerWaalsContact C-N 3.26Å | ||
| 90 | E | 57.5 | Low | 58 | Low | 202 Ų | 202 | 158.7 Ų | 158.7 | 94% | 0.944 | 77% | 0.765 | S | S | * | * | trans | -90.5 | 17 | 175 | -146.8 | 175.1 | 112.6 | 0 | 0 | 111.4 | V88 | V88-E90 PolarHBondContact O-N 3.1Å; V88-E90 VanDerWaalsContact O-N 3.16Å | ||
| 91 | E | 55.3 | Low | 56.1 | Low | 173 Ų | 173 | 157 Ų | 157 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | -119.8 | 21.8 | -165.4 | 73.8 | 172.5 | 174.1 | 0 | 0 | 117.5 | S89 | S89-E91 VanDerWaalsContact C-N 3.26Š| ||
| 92 | E | 52.4 | Low | 54.7 | Low | 186 Ų | 186 | 152.5 Ų | 152.5 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | -109 | 24.7 | 179.9 | -145.1 | 175.5 | -175.7 | 0 | 0 | 115.2 | ||||
| 93 | E | 50.3 | Low | 52.9 | Low | 190 Ų | 190 | 152.2 Ų | 152.2 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -130.5 | 64.8 | 177 | -74.5 | -95.7 | 170 | 0 | 0 | 111.4 | ||
| 94 | E | 47.9 | Very low | 51.2 | Low | 182 Ų | 182 | 158.4 Ų | 158.4 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -174.6 | 102.4 | 154 | -111.7 | 169.9 | -170.2 | 0 | 0 | 109 | ||
| 95 | D | 44.8 | Very low | 49.9 | Very low | 163 Ų | 163 | 159.6 Ų | 159.6 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | trans | 157.6 | 60.5 | 144.6 | -83.6 | -31.6 | 0 | 0 | 0 | 113.2 | ||||
| 96 | E | 48 | Very low | 48.5 | Very low | 186 Ų | 186 | 159 Ų | 159 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -145.7 | 96.6 | 155.4 | -68.7 | -165.4 | -172.1 | 0 | 0 | 109.1 | ||||
| 97 | E | 44.8 | Very low | 47.4 | Very low | 195 Ų | 195 | 155.6 Ų | 155.6 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | trans | 165.8 | 79.9 | 144.4 | -90.5 | 176 | -132 | 0 | 0 | 110.9 | ||||
| 98 | E | 46 | Very low | 46.2 | Very low | 181 Ų | 181 | 159.5 Ų | 159.5 | 85% | 0.846 | 84% | 0.838 | S | S | * | * | trans | -167.6 | 95.3 | 149 | -112.2 | -175.8 | 173.3 | 0 | 0 | 111.4 | ||||
| 99 | Q | 42.9 | Very low | 46 | Very low | 179 Ų | 179 | 158 Ų | 158 | 84% | 0.836 | 83% | 0.831 | S | S | * | * | trans | 161.5 | 98.2 | 142.7 | -92.1 | 150.4 | 87.4 | 0 | 0 | 110.9 | ||||
| 100 | N | 40 | Very low | 45.4 | Very low | 172 Ų | 172 | 158.2 Ų | 158.2 | 92% | 0.92 | 84% | 0.839 | S | S | * | * | trans | -139 | 86.1 | 148 | -83.5 | -71.9 | 0 | 0 | 0 | 109.3 | ||||
| 101 | D | 36.3 | Very low | 45.4 | Very low | 149 Ų | 149 | 157.8 Ų | 157.8 | 80% | 0.797 | 84% | 0.837 | S | S | * | * | trans | 2 | 110.8 | 148.8 | -167.2 | -119.6 | 0 | 0 | 0 | 116.8 | G103 | D101-G103 PolarHBondContact O-N 3.09Å; D101-G103 VanDerWaalsContact O-N 3.09Å | ||
| 102 | C | 42 | Very low | 45.1 | Very low | 125 Ų | 125 | 157.2 Ų | 157.2 | 85% | 0.845 | 84% | 0.839 | S | S | * | * | trans | -78.1 | 83.4 | 170.3 | 55.2 | 0 | 0 | 0 | 0 | 111 | M104 | C102-M104 PolarHBondContact O-N 3.47Š| ||
| 103 | G | 37.5 | Very low | 45.2 | Very low | 62 Ų | 62 | 152.3 Ų | 152.3 | 64% | 0.639 | 83% | 0.826 | S | S | * | * | trans | -89.8 | 92.5 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | D101 | D101-G103 PolarHBondContact O-N 3.09Å; D101-G103 VanDerWaalsContact O-N 3.09Å | ||
| 104 | M | 39.2 | Very low | 45.1 | Very low | 167 Ų | 167 | 152 Ų | 152 | 82% | 0.823 | 82% | 0.824 | S | S | * | * | trans | 42.3 | 139.9 | 144.6 | -61.1 | -66 | 174.7 | 0 | 0 | 123.2 | C102 | C102-M104 PolarHBondContact O-N 3.47Š| ||
| 105 | Q | 40.3 | Very low | 44.9 | Very low | 166 Ų | 166 | 155.3 Ų | 155.3 | 78% | 0.776 | 84% | 0.839 | S | S | * | * | trans | 86.8 | 106.8 | 132.4 | 68.7 | 171.7 | 46.6 | 0 | 0 | 123.1 | ||||
| 106 | N | 39.8 | Very low | 44.9 | Very low | 168 Ų | 168 | 155 Ų | 155 | 90% | 0.898 | 84% | 0.838 | S | S | * | * | 76.4 | 122.9 | 125.4 | -72.9 | -35.4 | 0 | 0 | 0 | 121.9 | |||||
| 107 | G | 40.2 | Very low | 44.8 | Very low | 79 Ų | 79 | 153.3 Ų | 153.3 | 81% | 0.814 | 84% | 0.836 | S | S | * | * | trans | 157.4 | 86.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 108 | Q | 42.3 | Very low | 44.8 | Very low | 191 Ų | 191 | 151 Ų | 151 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | trans | -57.5 | -176.6 | 165.6 | -81.3 | 176.5 | -102.5 | 0 | 0 | 113.4 | ||||
| 109 | P | 58.8 | Low | 44.7 | Very low | 107 Ų | 107 | 149.2 Ų | 149.2 | 70% | 0.695 | 83% | 0.831 | S | S | * | * | -132.8 | 160.8 | -50.9 | 36.9 | -21.2 | 0 | 0 | 0 | 111.3 | |||||
| 110 | A | 47.4 | Very low | 44.8 | Very low | 100 Ų | 100 | 147.4 Ų | 147.4 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | trans | -156.3 | 101.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 111 | Q | 57.9 | Low | 45.1 | Very low | 193 Ų | 193 | 145.7 Ų | 145.7 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | trans | -46.1 | 132.2 | 161.2 | -1.8 | -179.6 | -102 | 0 | 0 | 111 | ||||
| 112 | N | 47.6 | Very low | 45.7 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | trans | -140.1 | 126.5 | 152.2 | -162.3 | -12.5 | 0 | 0 | 0 | 110.4 | ||||
| 113 | S | 54.7 | Low | 46 | Very low | 83 Ų | 83 | 147.1 Ų | 147.1 | 58% | 0.58 | 83% | 0.825 | S | S | * | * | trans | -91.8 | 171.9 | -175.1 | -68.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 114 | Q | 49.4 | Very low | 46.7 | Very low | 183 Ų | 183 | 154.2 Ų | 154.2 | 86% | 0.855 | 84% | 0.841 | S | S | * | * | trans | 76.8 | 132.4 | 157.3 | -72.8 | 150 | -29.2 | 0 | 0 | 115.1 | ||||
| 115 | H | 43.3 | Very low | 47.4 | Very low | 253 Ų | 253 | 153 Ų | 153 | 100% | 1.171 | 84% | 0.842 | S | S | * | * | cis | -153.6 | 0 | 16.2 | -174.1 | 66.2 | 0 | 0 | 0 | 108.1 |
Retrieved 115 of 115 residues in 74.1 ms
(Link to these results)