| 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 | 48.9 | Very low | 52.9 | Low | 225 Ų | 225 | 140.1 Ų | 140.1 | 100% | 1.108 | 72% | 0.718 | S | S | * | * | 0 | 71.6 | 0 | 175 | 175 | 172.2 | 0 | 0 | 105.7 | |||||
| 2 | E | 53 | Low | 52.6 | Low | 169 Ų | 169 | 136 Ų | 136 | 79% | 0.79 | 70% | 0.704 | S | S | * | * | trans | -147 | 24 | -150.3 | -76.3 | 150.3 | 117.6 | 0 | 0 | 112.4 | ||||
| 3 | D | 53.6 | Low | 52.6 | Low | 157 Ų | 157 | 131.7 Ų | 131.7 | 84% | 0.84 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -125.3 | 17.5 | -169.5 | -88 | -67.7 | 0 | 0 | 0 | 114.2 | ||
| 4 | M | 50.7 | Low | 52.5 | Low | 163 Ų | 163 | 131.4 Ų | 131.4 | 80% | 0.803 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -111.7 | -33.3 | 177.1 | -68.6 | -164.8 | 69.5 | 0 | 0 | 114 | N6 V7 | M4-N6 VanDerWaalsContact C-N 3.26Å; M4-N6 PolarHBondContact O-N 3.46Å; M4-V7 PolarHBondContact O-N 3.38Å |
| 5 | D | 54.5 | Low | 52.3 | Low | 118 Ų | 118 | 128.7 Ų | 128.7 | 63% | 0.631 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -65.7 | -23.8 | -173.3 | -52.8 | -108.7 | 0 | 0 | 0 | 114.1 | V7 V9 | D5-V7 PolarHBondContact O-N 2.99Å; D5-V9 WeakPolarHBondContact O-CG2 3.2Å |
| 6 | N | 51 | Low | 52 | Low | 120 Ų | 120 | 126.3 Ų | 126.3 | 64% | 0.642 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -75 | -23.8 | -175.3 | -162.9 | 14.2 | 0 | 0 | 0 | 113.4 | M4 | M4-N6 VanDerWaalsContact C-N 3.26Å; M4-N6 PolarHBondContact O-N 3.46Å |
| 7 | V | 53.7 | Low | 52 | Low | 99 Ų | 99 | 127.3 Ų | 127.3 | 60% | 0.6 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -76 | -44.1 | -179.8 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | M4 D5 V9 L10 E11 | M4-V7 PolarHBondContact O-N 3.38Å; D5-V7 PolarHBondContact O-N 2.99Å; V7-V9 PolarHBondContact O-N 2.75Å; V7-L10 PolarHBondContact O-N 3.01Å; V7-E11 PolarHBondContact O-N 2.74Å; V7-E11 VanDerWaalsContact O-N 3.11Å |
| 8 | E | 55.6 | Low | 51.6 | Low | 145 Ų | 145 | 126.7 Ų | 126.7 | 68% | 0.678 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -66.3 | -37.6 | -176 | -165.3 | 167 | -147.6 | 0 | 0 | 111.9 | L10 E11 V12 | E8-L10 PolarHBondContact O-N 2.99Å; E8-E11 PolarHBondContact O-N 3.06Å; E8-V12 WeakPolarHBondContact O-CG2 3.48Å; E8-V12 PolarHBondContact O-N 3.49Å |
| 9 | V | 53.2 | Low | 51.4 | Low | 92 Ų | 92 | 125.5 Ų | 125.5 | 56% | 0.558 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -62.4 | -40.4 | 174.2 | 175.7 | 0 | 0 | 0 | 0 | 112 | D5 V7 V13 | D5-V9 WeakPolarHBondContact O-CG2 3.2Å; V7-V9 PolarHBondContact O-N 2.75Å; V9-V13 VanDerWaalsContact O-CG2 3.31Å; V9-V13 WeakPolarHBondContact O-CG2 3.19Å; V9-V13 PolarHBondContact O-N 3.21Å; V9-V13 VanDerWaalsContact O-N 3.12Å |
| 10 | L | 53.9 | Low | 51.2 | Low | 117 Ų | 117 | 126.7 Ų | 126.7 | 61% | 0.613 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68.9 | -37.3 | 178.3 | -90.7 | 162 | 0 | 0 | 0 | 112.6 | V7 E8 K14 | V7-L10 PolarHBondContact O-N 3.01Å; E8-L10 PolarHBondContact O-N 2.99Å; L10-K14 WeakPolarHBondContact O-CB 3.28Å; L10-K14 PolarHBondContact O-N 3.11Å; L10-K14 VanDerWaalsContact O-N 3.15Å |
| 11 | E | 54.1 | Low | 50.7 | Low | 136 Ų | 136 | 125.4 Ų | 125.4 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.2 | -41.9 | 178.4 | -165.5 | 155.7 | -135.9 | 0 | 0 | 111.7 | V7 E8 K14 V15 | V7-E11 PolarHBondContact O-N 2.74Å; V7-E11 VanDerWaalsContact O-N 3.11Å; E8-E11 PolarHBondContact O-N 3.06Å; E11-K14 PolarHBondContact O-N 2.93Å; E11-V15 WeakPolarHBondContact O-CG2 3.39Å; E11-V15 PolarHBondContact O-N 3.43Å |
| 12 | V | 49.4 | Very low | 50.2 | Low | 91 Ų | 91 | 119.2 Ų | 119.2 | 55% | 0.552 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -61.3 | -45.9 | 174.4 | 170.4 | 0 | 0 | 0 | 0 | 112.1 | E8 K14 V15 T16 | E8-V12 WeakPolarHBondContact O-CG2 3.48Å; E8-V12 PolarHBondContact O-N 3.49Å; V12-K14 VanDerWaalsContact C-N 3.34Å; V12-K14 PolarHBondContact O-N 2.82Å; V12-V15 PolarHBondContact O-N 3.21Å; V12-T16 PolarHBondContact O-N 3.11Å |
| 13 | V | 52 | Low | 49.6 | Very low | 80 Ų | 80 | 118.3 Ų | 118.3 | 49% | 0.485 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -60.4 | -45.3 | 177.7 | 167.9 | 0 | 0 | 0 | 0 | 110.8 | V9 V15 T16 E17 | V9-V13 VanDerWaalsContact O-CG2 3.31Å; V9-V13 WeakPolarHBondContact O-CG2 3.19Å; V9-V13 PolarHBondContact O-N 3.21Å; V9-V13 VanDerWaalsContact O-N 3.12Å; V13-V15 PolarHBondContact O-N 3.45Å; V13-T16 PolarHBondContact O-N 3.46Å; V13-T16 VanDerWaalsContact O-N 3.09Å; V13-T16 PolarHBondContact O-OG1 3.45Å; V13-E17 PolarHBondContact O-N 3.44Å; V13-E17 VanDerWaalsContact O-N 3.14Å |
| 14 | K | 52.1 | Low | 49.2 | Very low | 128 Ų | 128 | 114.3 Ų | 114.3 | 56% | 0.557 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.8 | -41.4 | -179.5 | -168.9 | 179.3 | 176.8 | -164.2 | 0 | 112.7 | L10 E11 V12 T16 E17 E18 | L10-K14 WeakPolarHBondContact O-CB 3.28Å; L10-K14 PolarHBondContact O-N 3.11Å; L10-K14 VanDerWaalsContact O-N 3.15Å; E11-K14 PolarHBondContact O-N 2.93Å; V12-K14 VanDerWaalsContact C-N 3.34Å; V12-K14 PolarHBondContact O-N 2.82Å; K14-T16 VanDerWaalsContact C-N 3.26Å; K14-T16 PolarHBondContact O-N 2.84Å; K14-E17 PolarHBondContact O-N 2.97Å; K14-E18 WeakPolarHBondContact CE-OE1 3.35Å; K14-E18 IonicContact NZ-OE1 3.55Å; K14-E18 PolarHBondContact O-N 3.36Å; K14-E18 VanDerWaalsContact O-N 3.17Å |
| 15 | V | 49.4 | Very low | 48.6 | Very low | 90 Ų | 90 | 113.2 Ų | 113.2 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.5 | -32.9 | 174.5 | 170 | 0 | 0 | 0 | 0 | 111.9 | E11 V12 V13 V19 | E11-V15 WeakPolarHBondContact O-CG2 3.39Å; E11-V15 PolarHBondContact O-N 3.43Å; V12-V15 PolarHBondContact O-N 3.21Å; V13-V15 PolarHBondContact O-N 3.45Å; V15-V19 WeakPolarHBondContact O-CG2 3.21Å |
| 16 | T | 46.7 | Very low | 47.8 | Very low | 90 Ų | 90 | 113 Ų | 113 | 55% | 0.552 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.1 | -37.5 | 175.7 | 59.1 | 0 | 0 | 0 | 0 | 113.8 | V12 V13 K14 V19 E20 | V12-T16 PolarHBondContact O-N 3.11Å; V13-T16 PolarHBondContact O-N 3.46Å; V13-T16 VanDerWaalsContact O-N 3.09Å; V13-T16 PolarHBondContact O-OG1 3.45Å; K14-T16 VanDerWaalsContact C-N 3.26Å; K14-T16 PolarHBondContact O-N 2.84Å; T16-V19 PolarHBondContact O-N 3.02Å; T16-E20 PolarHBondContact O-N 3.35Å |
| 17 | E | 52.5 | Low | 47.3 | Very low | 144 Ų | 144 | 115.5 Ų | 115.5 | 67% | 0.673 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.2 | -38.6 | -179.1 | -163.8 | 169 | -156.4 | 0 | 0 | 111.8 | V13 K14 V19 E20 D21 | V13-E17 PolarHBondContact O-N 3.44Å; V13-E17 VanDerWaalsContact O-N 3.14Å; K14-E17 PolarHBondContact O-N 2.97Å; E17-V19 VanDerWaalsContact C-N 3.26Å; E17-V19 PolarHBondContact O-N 3.45Å; E17-E20 PolarHBondContact O-N 3.15Å; E17-D21 PolarHBondContact O-N 3.12Å |
| 18 | E | 45.5 | Very low | 46.5 | Very low | 117 Ų | 117 | 118.6 Ų | 118.6 | 55% | 0.547 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.3 | -24.3 | 175.9 | -68.9 | -177.6 | -163.8 | 0 | 0 | 113.2 | K14 V22 | K14-E18 WeakPolarHBondContact CE-OE1 3.35Å; K14-E18 IonicContact NZ-OE1 3.55Å; K14-E18 PolarHBondContact O-N 3.36Å; K14-E18 VanDerWaalsContact O-N 3.17Å; E18-V22 WeakPolarHBondContact O-CG2 3.15Å |
| 19 | V | 47 | Very low | 45.5 | Very low | 103 Ų | 103 | 118.3 Ų | 118.3 | 62% | 0.624 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -78.6 | -32.2 | 175.1 | 169.5 | 0 | 0 | 0 | 0 | 112.6 | V15 T16 E17 | V15-V19 WeakPolarHBondContact O-CG2 3.21Å; T16-V19 PolarHBondContact O-N 3.02Å; E17-V19 VanDerWaalsContact C-N 3.26Å; E17-V19 PolarHBondContact O-N 3.45Å |
| 20 | E | 48 | Very low | 44.7 | Very low | 150 Ų | 150 | 118.7 Ų | 118.7 | 70% | 0.701 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -81.9 | -30.9 | -177 | -164.2 | 162.4 | -167.6 | 0 | 0 | 113.2 | T16 E17 Y23 S24 | T16-E20 PolarHBondContact O-N 3.35Å; E17-E20 PolarHBondContact O-N 3.15Å; E20-Y23 PolarHBondContact O-N 3.09Å; E20-S24 PolarHBondContact O-N 3.44Å; E20-S24 PolarHBondContact O-OG 3.04Å |
| 21 | D | 39.5 | Very low | 43.6 | Very low | 99 Ų | 99 | 119.3 Ų | 119.3 | 53% | 0.529 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -69.1 | -39.5 | 173.8 | -170.3 | 59.6 | 0 | 0 | 0 | 112.4 | E17 Y23 S24 Q25 | E17-D21 PolarHBondContact O-N 3.12Å; D21-Y23 VanDerWaalsContact C-N 3.26Å; D21-Y23 PolarHBondContact O-N 3.19Å; D21-S24 WeakPolarHBondContact O-CB 3.31Å; D21-S24 PolarHBondContact O-N 3.38Å; D21-Q25 PolarHBondContact O-N 2.7Å; D21-Q25 VanDerWaalsContact O-N 3.13Å |
| 22 | V | 38.3 | Very low | 42.7 | Very low | 96 Ų | 96 | 122.7 Ų | 122.7 | 58% | 0.582 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -59.5 | -37 | 176.5 | 170.4 | 0 | 0 | 0 | 0 | 111.7 | E18 S24 Q25 | E18-V22 WeakPolarHBondContact O-CG2 3.15Å; V22-S24 VanDerWaalsContact C-N 3.34Å; V22-Q25 PolarHBondContact O-N 3.14Å |
| 23 | Y | 40.9 | Very low | 42.4 | Very low | 150 Ų | 150 | 128.1 Ų | 128.1 | 59% | 0.588 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -68.1 | -33.8 | 175.4 | -169.5 | -105.3 | 0 | 0 | 0 | 112.5 | E20 D21 V26 | E20-Y23 PolarHBondContact O-N 3.09Å; D21-Y23 VanDerWaalsContact C-N 3.26Å; D21-Y23 PolarHBondContact O-N 3.19Å; Y23-V26 WeakPolarHBondContact O-CG2 3.4Å |
| 24 | S | 45.6 | Very low | 41.9 | Very low | 73 Ų | 73 | 132.8 Ų | 132.8 | 51% | 0.51 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -72.3 | -27.4 | 178.7 | -63.9 | 0 | 0 | 0 | 0 | 113.3 | E20 D21 V22 | E20-S24 PolarHBondContact O-N 3.44Å; E20-S24 PolarHBondContact O-OG 3.04Å; D21-S24 WeakPolarHBondContact O-CB 3.31Å; D21-S24 PolarHBondContact O-N 3.38Å; V22-S24 VanDerWaalsContact C-N 3.34Å |
| 25 | Q | 38 | Very low | 41.4 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 65% | 0.654 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -77 | -24.4 | -172.2 | -140.2 | 175.1 | 108.5 | 0 | 0 | 114.1 | D21 V22 | D21-Q25 PolarHBondContact O-N 2.7Å; D21-Q25 VanDerWaalsContact O-N 3.13Å; V22-Q25 PolarHBondContact O-N 3.14Å |
| 26 | V | 38.2 | Very low | 40.7 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 68% | 0.679 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -14.4 | -171.1 | -66.5 | 0 | 0 | 0 | 0 | 115.8 | Y23 M28 | Y23-V26 WeakPolarHBondContact O-CG2 3.4Å; V26-M28 PolarHBondContact O-N 3.17Å |
| 27 | E | 40.7 | Very low | 40.6 | Very low | 173 Ų | 173 | 142.8 Ų | 142.8 | 81% | 0.808 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -1.4 | -177.3 | -76.6 | -143.7 | 120.9 | 0 | 0 | 115.5 | ||
| 28 | M | 36.8 | Very low | 39.7 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | trans | -102.3 | 29.9 | -164.6 | -73.3 | -142.6 | -80.6 | 0 | 0 | 118.5 | V26 | V26-M28 PolarHBondContact O-N 3.17Š| ||
| 29 | T | 33.7 | Very low | 39.2 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 85% | 0.847 | 74% | 0.739 | S | S | * | * | trans | -131.2 | 88.5 | 165.1 | 57.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 30 | S | 36.4 | Very low | 39.3 | Very low | 101 Ų | 101 | 146 Ų | 146 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | -146.5 | 126.4 | 158.5 | 67.2 | 0 | 0 | 0 | 0 | 114.1 | K32 | S30-K32 PolarHBondContact O-N 3.28Š| ||
| 31 | P | 31.9 | Very low | 38.8 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 84% | 0.844 | 75% | 0.752 | S | S | * | * | trans | -69.8 | 123.7 | -179 | -23.2 | 34.8 | 0 | 0 | 0 | 114 | K33 | P31-K33 VanDerWaalsContact C-N 3.34Å; P31-K33 PolarHBondContact O-N 3.35Å | ||
| 32 | K | 33.7 | Very low | 38.8 | Very low | 206 Ų | 206 | 143.6 Ų | 143.6 | 90% | 0.896 | 75% | 0.751 | S | S | * | * | trans | -67.6 | 79.6 | 179 | -74.8 | 174.5 | 176.9 | 165.9 | 0 | 113.3 | S30 K34 | S30-K32 PolarHBondContact O-N 3.28Å; K32-K34 PolarHBondContact O-N 3.46Å | ||
| 33 | K | 43 | Very low | 39.3 | Very low | 205 Ų | 205 | 148.1 Ų | 148.1 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | trans | -65 | 110.5 | 172.5 | -167.6 | 174.3 | -174.6 | 176.1 | 0 | 110.3 | P31 R35 | P31-K33 VanDerWaalsContact C-N 3.34Å; P31-K33 PolarHBondContact O-N 3.35Å; K33-R35 PolarHBondContact O-N 2.93Å | ||
| 34 | K | 42.5 | Very low | 39.9 | Very low | 179 Ų | 179 | 149.5 Ų | 149.5 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 122 | -177.2 | -63.8 | -170.3 | 175.5 | -165.5 | 0 | 111.6 | K32 | K32-K34 PolarHBondContact O-N 3.46Š|
| 35 | R | 40.5 | Very low | 39.8 | Very low | 224 Ų | 224 | 154.9 Ų | 154.9 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 127.8 | 163.5 | -73.3 | -176.7 | 170 | -174.4 | -5.5 | 109.1 | K33 | K33-R35 PolarHBondContact O-N 2.93Š|
| 36 | G | 36.1 | Very low | 40.9 | Very low | 70 Ų | 70 | 152.4 Ų | 152.4 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 160 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 37 | K | 43.9 | Very low | 42.5 | Very low | 223 Ų | 223 | 156 Ų | 156 | 97% | 0.97 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -70 | 127 | 165.8 | -78.7 | -165.8 | 172.2 | -164.4 | 0 | 109.2 | ||
| 38 | A | 34.1 | Very low | 44.3 | Very low | 92 Ų | 92 | 155.9 Ų | 155.9 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -160.8 | 140.7 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 39 | D | 34.1 | Very low | 46.5 | Very low | 143 Ų | 143 | 150.3 Ų | 150.3 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | trans | 79.5 | 133.1 | 157.4 | -130.3 | -21.4 | 0 | 0 | 0 | 121 | N41 | D39-N41 PolarHBondContact O-N 3.17Š| ||
| 40 | E | 50.3 | Low | 49.2 | Very low | 198 Ų | 198 | 149.2 Ų | 149.2 | 93% | 0.925 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -92.6 | 34 | -179.9 | -163.1 | 92.2 | 139.5 | 0 | 0 | 110.4 | ||
| 41 | N | 37.1 | Very low | 51.9 | Low | 125 Ų | 125 | 147.4 Ų | 147.4 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | trans | -140.2 | 79.1 | 176.4 | -171.7 | 4 | 0 | 0 | 0 | 110 | D39 | D39-N41 PolarHBondContact O-N 3.17Š| ||
| 42 | S | 39.1 | Very low | 55 | Low | 73 Ų | 73 | 141.5 Ų | 141.5 | 51% | 0.51 | 69% | 0.691 | S | S | . | * | trans | -124.8 | 26.9 | -176.4 | -171.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 43 | H | 48.6 | Very low | 57.9 | Low | 191 Ų | 191 | 135.1 Ų | 135.1 | 88% | 0.884 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -74.4 | -29.7 | 171.5 | -80.1 | -95 | 0 | 0 | 0 | 112.5 | ||
| 44 | E | 53.5 | Low | 60.4 | Low | 179 Ų | 179 | 128.9 Ų | 128.9 | 84% | 0.836 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -108.3 | 50.4 | -178.5 | -156.7 | 176.9 | -156.5 | 0 | 0 | 112.9 | ||
| 45 | R | 43.7 | Very low | 62.9 | Low | 186 Ų | 186 | 120.9 Ų | 120.9 | 70% | 0.702 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -127.8 | 119.8 | 155.4 | -77.8 | -174.8 | 174.2 | 143.2 | 4.8 | 107.5 | K47 | R45-K47 PolarHBondContact O-N 3.49Š|
| 46 | P | 62 | Low | 65.6 | Low | 88 Ų | 88 | 110.7 Ų | 110.7 | 57% | 0.571 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 118.7 | 172.6 | -29.7 | 36 | 0 | 0 | 0 | 109.8 | K48 I106 | P46-K48 PolarHBondContact O-N 2.89Å; P46-I106 HydrophobicContact CB-CG2 4.22Å |
| 47 | K | 71.4 | Confident | 68.4 | Low | 186 Ų | 186 | 109.3 Ų | 109.3 | 81% | 0.809 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 133.4 | 169.3 | -67.7 | 173.8 | -175.4 | 169.8 | 0 | 105.1 | R45 I106 | R45-K47 PolarHBondContact O-N 3.49Å; K47-I106 WeakPolarHBondContact O-CD1 3.31Å |
| 48 | K | 78.7 | Confident | 70.8 | Confident | 171 Ų | 171 | 103.4 Ų | 103.4 | 74% | 0.743 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 140.7 | 178.2 | -70 | -172.8 | 165.7 | -152.5 | 0 | 108.7 | P46 R50 | P46-K48 PolarHBondContact O-N 2.89Å; K48-R50 PolarHBondContact O-N 3.01Å |
| 49 | P | 81.4 | Confident | 73.7 | Confident | 49 Ų | 49 | 101.9 Ų | 101.9 | 32% | 0.318 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -52 | 134.4 | 171 | 19.8 | -30.7 | 0 | 0 | 0 | 110 | E102 K103 I106 | P49-E102 WeakPolarHBondContact CA-OE1 3.19Å; P49-K103 HydrophobicContact CB-CB 3.89Å; P49-K103 HydrophobicContact CG-CB 3.99Å; P49-K103 HydrophobicContact CG-CG 4.2Å; P49-I106 HydrophobicContact CB-CD1 4Å; P49-I106 HydrophobicContact CG-CD1 4.5Å |
| 50 | R | 90.4 | Very high | 76.6 | Confident | 115 Ų | 115 | 96.2 Ų | 96.2 | 43% | 0.434 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 135.9 | 172.4 | -65.5 | 175.2 | -179 | 109.6 | -15 | 108.6 | K48 L54 L55 E102 | K48-R50 PolarHBondContact O-N 3.01Å; R50-L54 HydrophobicContact CB-CB 4.05Å; R50-L55 HydrophobicContact CB-CD2 4.03Å; R50-L55 HydrophobicContact CB-CG 3.93Å; R50-L55 HydrophobicContact CG-CD2 4.46Å; R50-E102 WeakPolarHBondContact CB-OE1 3.42Å; R50-E102 WeakPolarHBondContact CG-OE1 3.29Å; R50-E102 IonicContact CZ-OE2 3.83Å; R50-E102 PolarHBondContact N-OE1 2.93Å; R50-E102 IonicContact NH1-OE1 3.84Å; R50-E102 IonicContact NH1-OE2 2.8Å; R50-E102 PolarHBondContact NH1-OE2 3.41Å |
| 51 | S | 94.6 | Very high | 78.6 | Confident | 62 Ų | 62 | 88.2 Ų | 88.2 | 43% | 0.434 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 163.3 | 166.5 | 62.5 | 0 | 0 | 0 | 0 | 110.6 | Y53 L54 L55 | S51-Y53 VanDerWaalsContact C-N 3.27Å; S51-Y53 PolarHBondContact O-N 2.93Å; S51-L54 WeakPolarHBondContact O-CA 3.23Å; S51-L54 WeakPolarHBondContact O-CB 3.25Å; S51-L54 PolarHBondContact O-N 3.32Å; S51-L55 PolarHBondContact O-N 3.5Å |
| 52 | A | 95.6 | Very high | 81.2 | Confident | 7 Ų | 7 | 87.2 Ų | 87.2 | 6% | 0.058 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -50.2 | -46.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L54 L55 Y56 W84 Y95 L96 A99 | A52-L54 VanDerWaalsContact C-N 3.32Å; A52-L54 PolarHBondContact O-N 3.39Å; A52-L55 PolarHBondContact O-N 2.86Å; A52-Y56 PolarHBondContact O-N 2.88Å; A52-W84 HydrophobicContact CB-CH2 3.78Å; A52-W84 HydrophobicContact CB-CZ2 4.26Å; A52-Y95 WeakPolarHBondContact CA-O 3.11Å; A52-Y95 VanDerWaalsContact CB-C 3.46Å; A52-Y95 VanDerWaalsContact CB-O 3.31Å; A52-Y95 WeakPolarHBondContact CB-O 3.4Å; A52-L96 HydrophobicContact CB-CB 4.5Å; A52-L96 HydrophobicContact CB-CD2 3.78Å; A52-L96 HydrophobicContact CB-CG 3.96Å; A52-A99 HydrophobicContact CB-CB 4.25Å |
| 53 | Y | 96.1 | Very high | 83.7 | Confident | 71 Ų | 71 | 88.3 Ų | 88.3 | 28% | 0.278 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.2 | -36.3 | 175 | 177.7 | -109.2 | 0 | 0 | 0 | 113.3 | S51 Y57 I80 S81 W84 | S51-Y53 VanDerWaalsContact C-N 3.27Å; S51-Y53 PolarHBondContact O-N 2.93Å; Y53-Y57 WeakPolarHBondContact O-CB 3.18Å; Y53-Y57 PolarHBondContact O-N 3.42Å; Y53-I80 HydrophobicContact CE2-CG2 4.22Å; Y53-S81 PolarHBondContact OH-OG 2.8Å; Y53-W84 HydrophobicContact CD2-CB 3.89Å; Y53-W84 AromaticContact CD2-CD1 3.62Å; Y53-W84 AromaticContact CD2-CD2 3.69Å; Y53-W84 HydrophobicContact CD2-CD2 3.69Å; Y53-W84 HydrophobicContact CD2-CE3 4.34Å; Y53-W84 AromaticContact CD2-CG 3.43Å; Y53-W84 HydrophobicContact CD2-CG 3.43Å; Y53-W84 VanDerWaalsContact CD2-CG 3.43Å; Y53-W84 AromaticContact CD2-NE1 3.96Å; Y53-W84 HydrophobicContact CE2-CB 3.83Å; Y53-W84 AromaticContact CE2-CG 3.89Å; Y53-W84 HydrophobicContact CE2-CG 3.89Å |
| 54 | L | 95.2 | Very high | 85.6 | Confident | 74 Ų | 74 | 82.4 Ų | 82.4 | 39% | 0.387 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -70.7 | -35.5 | 178 | -90.6 | 162.8 | 0 | 0 | 0 | 112.3 | R50 S51 A52 F58 | R50-L54 HydrophobicContact CB-CB 4.05Å; S51-L54 WeakPolarHBondContact O-CA 3.23Å; S51-L54 WeakPolarHBondContact O-CB 3.25Å; S51-L54 PolarHBondContact O-N 3.32Å; A52-L54 VanDerWaalsContact C-N 3.32Å; A52-L54 PolarHBondContact O-N 3.39Å; L54-F58 HydrophobicContact CD2-CE2 4.24Å; L54-F58 WeakPolarHBondContact O-CD2 3Å; L54-F58 PolarHBondContact O-N 3.28Å |
| 55 | L | 94.8 | Very high | 87.2 | Confident | 11 Ų | 11 | 78.4 Ų | 78.4 | 6% | 0.058 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.7 | -55.6 | 172.3 | -69.7 | 168.4 | 0 | 0 | 0 | 110.5 | R50 S51 A52 Y57 F58 D59 Y95 R98 A99 | R50-L55 HydrophobicContact CB-CD2 4.03Å; R50-L55 HydrophobicContact CB-CG 3.93Å; R50-L55 HydrophobicContact CG-CD2 4.46Å; S51-L55 PolarHBondContact O-N 3.5Å; A52-L55 PolarHBondContact O-N 2.86Å; L55-Y57 VanDerWaalsContact C-N 3.28Å; L55-Y57 PolarHBondContact O-N 3.34Å; L55-F58 PolarHBondContact O-N 3.35Å; L55-F58 VanDerWaalsContact O-N 3.1Å; L55-D59 PolarHBondContact O-N 3.36Å; L55-D59 VanDerWaalsContact O-N 3.12Å; L55-Y95 HydrophobicContact CB-CD1 3.8Å; L55-Y95 HydrophobicContact CB-CE1 4.28Å; L55-R98 HydrophobicContact CD1-CB 4.04Å; L55-R98 HydrophobicContact CD1-CG 3.98Å; L55-A99 HydrophobicContact CD1-CB 4Å |
| 56 | Y | 96.6 | Very high | 89.2 | Confident | 10 Ų | 10 | 75.9 Ų | 75.9 | 4% | 0.039 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -55 | -42 | 176.5 | 174.2 | -101.2 | 0 | 0 | 0 | 113 | A52 F58 D59 V60 I80 S83 W84 L87 Y95 | A52-Y56 PolarHBondContact O-N 2.88Å; Y56-F58 VanDerWaalsContact C-N 3.33Å; Y56-F58 PolarHBondContact O-N 3.47Å; Y56-D59 PolarHBondContact O-N 3.27Å; Y56-V60 HydrophobicContact CD2-CG2 3.84Å; Y56-V60 HydrophobicContact CE1-CG2 4.23Å; Y56-V60 HydrophobicContact CE2-CB 4.47Å; Y56-V60 HydrophobicContact CE2-CG2 3.37Å; Y56-V60 HydrophobicContact CG-CG2 4.47Å; Y56-V60 PolarHBondContact O-N 3.4Å; Y56-I80 HydrophobicContact CD1-CG2 4.09Å; Y56-I80 HydrophobicContact CE1-CG2 3.89Å; Y56-S83 VanDerWaalsContact OH-CB 3.22Å; Y56-S83 WeakPolarHBondContact OH-CB 3.22Å; Y56-S83 PolarHBondContact OH-OG 2.62Å; Y56-W84 HydrophobicContact CD1-CB 3.96Å; Y56-W84 HydrophobicContact CD1-CD2 4.19Å; Y56-W84 AromaticContact CD1-CE3 3.48Å; Y56-W84 HydrophobicContact CD1-CE3 3.48Å; Y56-W84 VanDerWaalsContact CD1-CE3 3.48Å; Y56-W84 HydrophobicContact CD1-CG 4.42Å; Y56-W84 HydrophobicContact CD1-CZ3 4.35Å; Y56-W84 HydrophobicContact CD2-CE3 4.15Å; Y56-W84 HydrophobicContact CD2-CZ3 4.46Å; Y56-W84 HydrophobicContact CE1-CB 3.7Å; Y56-W84 HydrophobicContact CE1-CE3 4.11Å; Y56-W84 AromaticContact CG-CE3 3.48Å; Y56-W84 HydrophobicContact CG-CE3 3.48Å; Y56-W84 VanDerWaalsContact CG-CE3 3.48Å; Y56-W84 AromaticContact CG-CZ3 3.92Å; Y56-W84 HydrophobicContact CG-CZ3 3.92Å; Y56-L87 HydrophobicContact CD2-CD1 3.88Å; Y56-L87 HydrophobicContact CE1-CD1 4.48Å; Y56-L87 HydrophobicContact CE2-CD1 3.62Å; Y56-L87 HydrophobicContact CE2-CD2 3.99Å; Y56-L87 HydrophobicContact CE2-CG 4.21Å; Y56-L87 HydrophobicContact CG-CD1 4.4Å; Y56-Y95 HydrophobicContact CD2-CD2 4.1Å; Y56-Y95 AromaticContact CD2-CE2 3.57Å; Y56-Y95 HydrophobicContact CD2-CE2 3.57Å; Y56-Y95 AromaticContact CD2-CZ 3.82Å; Y56-Y95 HydrophobicContact CE2-CE2 4.47Å; Y56-Y95 HydrophobicContact CG-CE2 4.35Å |
| 57 | Y | 95.7 | Very high | 90.3 | Very high | 41 Ų | 41 | 74.6 Ų | 74.6 | 16% | 0.161 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.4 | -43.4 | 178 | 173.4 | -79.8 | 0 | 0 | 0 | 111.5 | Y53 L55 H61 Q73 N77 I80 | Y53-Y57 WeakPolarHBondContact O-CB 3.18Å; Y53-Y57 PolarHBondContact O-N 3.42Å; L55-Y57 VanDerWaalsContact C-N 3.28Å; L55-Y57 PolarHBondContact O-N 3.34Å; Y57-H61 HydrophobicContact CD1-CB 4.43Å; Y57-H61 HydrophobicContact CE1-CB 4.17Å; Y57-H61 WeakPolarHBondContact O-CA 3.49Å; Y57-H61 WeakPolarHBondContact O-CB 3.4Å; Y57-H61 PolarHBondContact O-N 3.19Å; Y57-Q73 PolarHBondContact OH-NE2 3.2Å; Y57-Q73 VanDerWaalsContact OH-NE2 3.16Å; Y57-N77 PolarHBondContact OH-OD1 3.47Å; Y57-I80 HydrophobicContact CD2-CB 4.45Å; Y57-I80 HydrophobicContact CD2-CD1 4.02Å; Y57-I80 HydrophobicContact CD2-CG2 3.79Å; Y57-I80 HydrophobicContact CE2-CD1 4.01Å; Y57-I80 HydrophobicContact CG-CG2 4.36Å |
| 58 | F | 94.6 | Very high | 90.6 | Very high | 100 Ų | 100 | 68.1 Ų | 68.1 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.4 | -44.8 | 178.8 | -73.1 | -60.1 | 0 | 0 | 0 | 112.1 | L54 L55 Y56 V60 H61 Q62 | L54-F58 HydrophobicContact CD2-CE2 4.24Å; L54-F58 WeakPolarHBondContact O-CD2 3Å; L54-F58 PolarHBondContact O-N 3.28Å; L55-F58 PolarHBondContact O-N 3.35Å; L55-F58 VanDerWaalsContact O-N 3.1Å; Y56-F58 VanDerWaalsContact C-N 3.33Å; Y56-F58 PolarHBondContact O-N 3.47Å; F58-V60 PolarHBondContact O-N 3.09Å; F58-H61 PolarHBondContact O-N 3.2Å; F58-Q62 WeakPolarHBondContact O-CB 3.19Å; F58-Q62 PolarHBondContact O-N 2.9Å |
| 59 | D | 94.2 | Very high | 90.5 | Very high | 60 Ų | 60 | 65 Ų | 65 | 32% | 0.321 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.9 | -47.3 | 180 | -68.7 | -3.8 | 0 | 0 | 0 | 110.5 | L55 Y56 V63 Y95 R98 | L55-D59 PolarHBondContact O-N 3.36Å; L55-D59 VanDerWaalsContact O-N 3.12Å; Y56-D59 PolarHBondContact O-N 3.27Å; D59-V63 WeakPolarHBondContact O-CG2 3.46Å; D59-V63 PolarHBondContact O-N 2.74Å; D59-Y95 WeakPolarHBondContact OD2-CE1 3.45Å; D59-Y95 PolarHBondContact OD2-OH 3.38Å; D59-R98 IonicContact OD2-CZ 3.98Å; D59-R98 IonicContact OD2-NH1 3.58Å; D59-R98 PolarHBondContact OD2-NH1 3.33Å; D59-R98 IonicContact OD2-NH2 2.67Å |
| 60 | V | 94.1 | Very high | 90.5 | Very high | 24 Ų | 24 | 70.2 Ų | 70.2 | 15% | 0.145 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -80.8 | -32.3 | 180 | -179.3 | 0 | 0 | 0 | 0 | 113.5 | Y56 F58 Q62 V63 M64 I80 | Y56-V60 HydrophobicContact CD2-CG2 3.84Å; Y56-V60 HydrophobicContact CE1-CG2 4.23Å; Y56-V60 HydrophobicContact CE2-CB 4.47Å; Y56-V60 HydrophobicContact CE2-CG2 3.37Å; Y56-V60 HydrophobicContact CG-CG2 4.47Å; Y56-V60 PolarHBondContact O-N 3.4Å; F58-V60 PolarHBondContact O-N 3.09Å; V60-Q62 VanDerWaalsContact C-N 3.3Å; V60-Q62 PolarHBondContact O-N 2.89Å; V60-V63 PolarHBondContact O-N 2.9Å; V60-M64 HydrophobicContact CG1-CE 4.02Å; V60-M64 HydrophobicContact CG1-CG 3.87Å; V60-M64 WeakPolarHBondContact O-CB 3.35Å; V60-M64 WeakPolarHBondContact O-CG 3.49Å; V60-M64 PolarHBondContact O-N 2.97Å; V60-I80 HydrophobicContact CB-CG1 4.4Å; V60-I80 HydrophobicContact CG1-CG1 3.99Å |
| 61 | H | 93 | Very high | 90.2 | Very high | 29 Ų | 29 | 67.8 Ų | 67.8 | 13% | 0.134 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 173 | 176.4 | -111.6 | 0 | 0 | 0 | 111.1 | Y57 F58 V63 M64 Q65 Q73 I80 | Y57-H61 HydrophobicContact CD1-CB 4.43Å; Y57-H61 HydrophobicContact CE1-CB 4.17Å; Y57-H61 WeakPolarHBondContact O-CA 3.49Å; Y57-H61 WeakPolarHBondContact O-CB 3.4Å; Y57-H61 PolarHBondContact O-N 3.19Å; F58-H61 PolarHBondContact O-N 3.2Å; H61-V63 PolarHBondContact O-N 3.1Å; H61-M64 PolarHBondContact O-N 2.83Å; H61-Q65 PolarHBondContact CE1-OE1 2.87Å; H61-Q65 VanDerWaalsContact O-CB 3.3Å; H61-Q65 WeakPolarHBondContact O-CB 3.32Å; H61-Q65 PolarHBondContact O-N 3.45Å; H61-Q73 PolarHBondContact CD2-NE2 2.98Å; H61-Q73 PolarHBondContact NE2-NE2 3.04Å; H61-Q73 PolarHBondContact NE2-OE1 2.98Å; H61-I80 HydrophobicContact CB-CD1 3.71Å |
| 62 | Q | 92.6 | Very high | 90 | Very high | 105 Ų | 105 | 68.6 Ų | 68.6 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 177.9 | -175.4 | 59 | 90.5 | 0 | 0 | 112 | F58 V60 L66 | F58-Q62 WeakPolarHBondContact O-CB 3.19Å; F58-Q62 PolarHBondContact O-N 2.9Å; V60-Q62 VanDerWaalsContact C-N 3.3Å; V60-Q62 PolarHBondContact O-N 2.89Å; Q62-L66 HydrophobicContact CG-CD1 4.33Å; Q62-L66 WeakPolarHBondContact O-CD1 3.38Å; Q62-L66 VanDerWaalsContact O-CG 3.29Å; Q62-L66 WeakPolarHBondContact O-CG 3.48Å; Q62-L66 PolarHBondContact O-N 3.31Å |
| 63 | V | 90.8 | Very high | 89.7 | Confident | 96 Ų | 96 | 72 Ų | 72 | 58% | 0.582 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.1 | -47.9 | 176.1 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | D59 V60 H61 Q65 L66 G67 | D59-V63 WeakPolarHBondContact O-CG2 3.46Å; D59-V63 PolarHBondContact O-N 2.74Å; V60-V63 PolarHBondContact O-N 2.9Å; H61-V63 PolarHBondContact O-N 3.1Å; V63-Q65 VanDerWaalsContact C-N 3.33Å; V63-Q65 PolarHBondContact O-N 2.82Å; V63-L66 PolarHBondContact O-N 2.87Å; V63-G67 PolarHBondContact O-N 2.88Å |
| 64 | M | 88.6 | Confident | 89.6 | Confident | 67 Ų | 67 | 72.9 Ų | 72.9 | 33% | 0.33 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.3 | -36.2 | -179.4 | -68.8 | -74.6 | 163.9 | 0 | 0 | 112.4 | V60 H61 T68 V76 | V60-M64 HydrophobicContact CG1-CE 4.02Å; V60-M64 HydrophobicContact CG1-CG 3.87Å; V60-M64 WeakPolarHBondContact O-CB 3.35Å; V60-M64 WeakPolarHBondContact O-CG 3.49Å; V60-M64 PolarHBondContact O-N 2.97Å; H61-M64 PolarHBondContact O-N 2.83Å; M64-T68 WeakPolarHBondContact O-CA 3.35Å; M64-T68 PolarHBondContact O-N 3.4Å; M64-T68 PolarHBondContact O-OG1 3.11Å; M64-V76 HydrophobicContact CB-CG1 3.72Å; M64-V76 HydrophobicContact CG-CG1 4.43Å |
| 65 | Q | 86.2 | Confident | 89.5 | Confident | 95 Ų | 95 | 71.6 Ų | 71.6 | 44% | 0.444 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -72.9 | -31.4 | 177.7 | -170.4 | 166.8 | 20.8 | 0 | 0 | 112.7 | H61 V63 P69 | H61-Q65 PolarHBondContact CE1-OE1 2.87Å; H61-Q65 VanDerWaalsContact O-CB 3.3Å; H61-Q65 WeakPolarHBondContact O-CB 3.32Å; H61-Q65 PolarHBondContact O-N 3.45Å; V63-Q65 VanDerWaalsContact C-N 3.33Å; V63-Q65 PolarHBondContact O-N 2.82Å; Q65-P69 WeakPolarHBondContact O-CA 3.26Å |
| 66 | L | 87.6 | Confident | 89.5 | Confident | 132 Ų | 132 | 71.4 Ų | 71.4 | 69% | 0.691 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -72.3 | -43.2 | 172.3 | -71.3 | 168 | 0 | 0 | 0 | 111.8 | Q62 V63 | Q62-L66 HydrophobicContact CG-CD1 4.33Å; Q62-L66 WeakPolarHBondContact O-CD1 3.38Å; Q62-L66 VanDerWaalsContact O-CG 3.29Å; Q62-L66 WeakPolarHBondContact O-CG 3.48Å; Q62-L66 PolarHBondContact O-N 3.31Å; V63-L66 PolarHBondContact O-N 2.87Å |
| 67 | G | 83.9 | Confident | 89.4 | Confident | 62 Ų | 62 | 73.6 Ų | 73.6 | 64% | 0.639 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -75 | -27.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | V63 | V63-G67 PolarHBondContact O-N 2.88Å |
| 68 | T | 77 | Confident | 89.4 | Confident | 50 Ų | 50 | 76.2 Ų | 76.2 | 31% | 0.307 | 42% | 0.423 | S | S | . | . | trans | -139.5 | 66.7 | -177.3 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | M64 N70 L71 | M64-T68 WeakPolarHBondContact O-CA 3.35Å; M64-T68 PolarHBondContact O-N 3.4Å; M64-T68 PolarHBondContact O-OG1 3.11Å; T68-N70 PolarHBondContact O-N 3.49Å; T68-L71 PolarHBondContact O-N 2.95Å; T68-L71 VanDerWaalsContact O-N 3.14Å | ||
| 69 | P | 77.4 | Confident | 89.4 | Confident | 106 Ų | 106 | 77.4 Ų | 77.4 | 69% | 0.688 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -10.4 | -173.2 | 26.3 | -36.1 | 0 | 0 | 0 | 115.4 | Q65 | Q65-P69 WeakPolarHBondContact O-CA 3.26Š|
| 70 | N | 82.3 | Confident | 89.4 | Confident | 158 Ų | 158 | 74.5 Ų | 74.5 | 85% | 0.845 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -8.6 | 178.5 | -161.3 | -107.6 | 0 | 0 | 0 | 114 | T68 | T68-N70 PolarHBondContact O-N 3.49Š|
| 71 | L | 83.6 | Confident | 89.6 | Confident | 63 Ų | 63 | 75.9 Ų | 75.9 | 33% | 0.33 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -71.7 | 137.9 | -178.8 | -110.8 | 66.3 | 0 | 0 | 0 | 111.5 | T68 E75 V76 | T68-L71 PolarHBondContact O-N 2.95Å; T68-L71 VanDerWaalsContact O-N 3.14Å; L71-E75 HydrophobicContact CD2-CG 4.04Å; L71-V76 HydrophobicContact CB-CG2 4Å |
| 72 | P | 90.5 | Very high | 89.7 | Confident | 79 Ų | 79 | 78.1 Ų | 78.1 | 51% | 0.513 | 43% | 0.43 | S | S | . | . | trans | -67.4 | 137.8 | 177.2 | 28 | -34.1 | 0 | 0 | 0 | 110.5 | S74 E75 V76 | P72-S74 PolarHBondContact O-N 3.41Å; P72-E75 HydrophobicContact CG-CB 4.14Å; P72-E75 PolarHBondContact O-N 3.28Å; P72-V76 PolarHBondContact O-N 3.29Å | ||
| 73 | Q | 89.3 | Confident | 89.9 | Confident | 79 Ų | 79 | 75.4 Ų | 75.4 | 37% | 0.369 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -51 | -29.2 | -178 | -172.4 | 67.5 | 41.5 | 0 | 0 | 113.6 | Y57 H61 V76 N77 | Y57-Q73 PolarHBondContact OH-NE2 3.2Å; Y57-Q73 VanDerWaalsContact OH-NE2 3.16Å; H61-Q73 PolarHBondContact CD2-NE2 2.98Å; H61-Q73 PolarHBondContact NE2-NE2 3.04Å; H61-Q73 PolarHBondContact NE2-OE1 2.98Å; Q73-V76 PolarHBondContact O-N 3.06Å; Q73-N77 PolarHBondContact NE2-OD1 3.27Å; Q73-N77 VanDerWaalsContact O-CB 3.29Å; Q73-N77 WeakPolarHBondContact O-CB 3.37Å; Q73-N77 PolarHBondContact O-N 2.87Å; Q73-N77 PolarHBondContact O-OD1 2.72Å; Q73-N77 VanDerWaalsContact O-OD1 3.09Å |
| 74 | S | 93.4 | Very high | 90.2 | Very high | 90 Ų | 90 | 73.4 Ų | 73.4 | 63% | 0.629 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.1 | -38.5 | 175 | 49.8 | 0 | 0 | 0 | 0 | 113.8 | P72 K78 | P72-S74 PolarHBondContact O-N 3.41Å; S74-K78 WeakPolarHBondContact O-CB 3.13Å; S74-K78 PolarHBondContact O-N 2.86Å |
| 75 | E | 93.8 | Very high | 90.5 | Very high | 47 Ų | 47 | 79.4 Ų | 79.4 | 22% | 0.22 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -76.1 | -37.2 | 176.5 | 177.8 | 61 | -164.7 | 0 | 0 | 110.7 | L71 P72 K78 R79 | L71-E75 HydrophobicContact CD2-CG 4.04Å; P72-E75 HydrophobicContact CG-CB 4.14Å; P72-E75 PolarHBondContact O-N 3.28Å; E75-K78 PolarHBondContact O-N 3.09Å; E75-K78 IonicContact OE1-NZ 3.9Å; E75-K78 WeakPolarHBondContact OE2-CD 3.49Å; E75-K78 IonicContact OE2-NZ 3.9Å; E75-K78 PolarHBondContact OE2-NZ 3.14Å; E75-R79 WeakPolarHBondContact O-CG 3.43Å; E75-R79 PolarHBondContact O-N 3.47Å; E75-R79 IonicContact OE1-CZ 2.88Å; E75-R79 IonicContact OE1-NE 2.77Å; E75-R79 PolarHBondContact OE1-NE 2.91Å; E75-R79 IonicContact OE1-NH2 3.77Å; E75-R79 PolarHBondContact OE1-NH2 3.38Å |
| 76 | V | 93.5 | Very high | 91 | Very high | 6 Ų | 6 | 84.7 Ų | 84.7 | 4% | 0.036 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 172.9 | -172.9 | 0 | 0 | 0 | 0 | 110.6 | M64 L71 P72 Q73 K78 R79 I80 | M64-V76 HydrophobicContact CB-CG1 3.72Å; M64-V76 HydrophobicContact CG-CG1 4.43Å; L71-V76 HydrophobicContact CB-CG2 4Å; P72-V76 PolarHBondContact O-N 3.29Å; Q73-V76 PolarHBondContact O-N 3.06Å; V76-K78 VanDerWaalsContact C-N 3.31Å; V76-K78 PolarHBondContact O-N 2.74Å; V76-R79 PolarHBondContact O-N 2.93Å; V76-I80 HydrophobicContact CG1-CD1 3.94Å; V76-I80 VanDerWaalsContact O-CG1 3.3Å; V76-I80 WeakPolarHBondContact O-CG1 3.33Å; V76-I80 PolarHBondContact O-N 3.01Å |
| 77 | N | 94.7 | Very high | 91.4 | Very high | 56 Ų | 56 | 79.3 Ų | 79.3 | 30% | 0.299 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.3 | -40.8 | 175.5 | -73 | 8.2 | 0 | 0 | 0 | 112.5 | Y57 Q73 S81 | Y57-N77 PolarHBondContact OH-OD1 3.47Å; Q73-N77 PolarHBondContact NE2-OD1 3.27Å; Q73-N77 VanDerWaalsContact O-CB 3.29Å; Q73-N77 WeakPolarHBondContact O-CB 3.37Å; Q73-N77 PolarHBondContact O-N 2.87Å; Q73-N77 PolarHBondContact O-OD1 2.72Å; Q73-N77 VanDerWaalsContact O-OD1 3.09Å; N77-S81 WeakPolarHBondContact O-CB 3.29Å; N77-S81 PolarHBondContact O-N 3.29Å; N77-S81 PolarHBondContact O-OG 2.82Å |
| 78 | K | 95.6 | Very high | 92 | Very high | 97 Ų | 97 | 78.9 Ų | 78.9 | 42% | 0.422 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.7 | -49.5 | 176.7 | 174.1 | -178.2 | 147.2 | -134.9 | 0 | 110.8 | S74 E75 V76 I80 S81 E82 | S74-K78 WeakPolarHBondContact O-CB 3.13Å; S74-K78 PolarHBondContact O-N 2.86Å; E75-K78 PolarHBondContact O-N 3.09Å; E75-K78 IonicContact OE1-NZ 3.9Å; E75-K78 WeakPolarHBondContact OE2-CD 3.49Å; E75-K78 IonicContact OE2-NZ 3.9Å; E75-K78 PolarHBondContact OE2-NZ 3.14Å; V76-K78 VanDerWaalsContact C-N 3.31Å; V76-K78 PolarHBondContact O-N 2.74Å; K78-I80 PolarHBondContact O-N 2.94Å; K78-S81 PolarHBondContact O-N 3.13Å; K78-S81 VanDerWaalsContact O-N 3.11Å; K78-E82 WeakPolarHBondContact CE-OE1 3.5Å; K78-E82 WeakPolarHBondContact CG-OE1 3.29Å; K78-E82 WeakPolarHBondContact O-CG 3.49Å; K78-E82 PolarHBondContact O-N 2.83Å |
| 79 | R | 94.8 | Very high | 92.9 | Very high | 124 Ų | 124 | 82.3 Ų | 82.3 | 47% | 0.468 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 177.5 | -71.8 | -179.1 | -177.5 | -144.4 | -1.8 | 112.5 | E75 V76 E82 S83 | E75-R79 WeakPolarHBondContact O-CG 3.43Å; E75-R79 PolarHBondContact O-N 3.47Å; E75-R79 IonicContact OE1-CZ 2.88Å; E75-R79 IonicContact OE1-NE 2.77Å; E75-R79 PolarHBondContact OE1-NE 2.91Å; E75-R79 IonicContact OE1-NH2 3.77Å; E75-R79 PolarHBondContact OE1-NH2 3.38Å; V76-R79 PolarHBondContact O-N 2.93Å; R79-E82 PolarHBondContact O-N 3.39Å; R79-S83 WeakPolarHBondContact O-CB 3.15Å; R79-S83 PolarHBondContact O-N 3.41Å |
| 80 | I | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 173.8 | -64.7 | 162.7 | 0 | 0 | 0 | 111.2 | Y53 Y56 Y57 V60 H61 V76 K78 E82 S83 W84 | Y53-I80 HydrophobicContact CE2-CG2 4.22Å; Y56-I80 HydrophobicContact CD1-CG2 4.09Å; Y56-I80 HydrophobicContact CE1-CG2 3.89Å; Y57-I80 HydrophobicContact CD2-CB 4.45Å; Y57-I80 HydrophobicContact CD2-CD1 4.02Å; Y57-I80 HydrophobicContact CD2-CG2 3.79Å; Y57-I80 HydrophobicContact CE2-CD1 4.01Å; Y57-I80 HydrophobicContact CG-CG2 4.36Å; V60-I80 HydrophobicContact CB-CG1 4.4Å; V60-I80 HydrophobicContact CG1-CG1 3.99Å; H61-I80 HydrophobicContact CB-CD1 3.71Å; V76-I80 HydrophobicContact CG1-CD1 3.94Å; V76-I80 VanDerWaalsContact O-CG1 3.3Å; V76-I80 WeakPolarHBondContact O-CG1 3.33Å; V76-I80 PolarHBondContact O-N 3.01Å; K78-I80 PolarHBondContact O-N 2.94Å; I80-E82 PolarHBondContact O-N 3.02Å; I80-S83 PolarHBondContact O-N 3.29Å; I80-W84 WeakPolarHBondContact O-CB 3.37Å; I80-W84 PolarHBondContact O-N 2.82Å |
| 81 | S | 96.4 | Very high | 94.3 | Very high | 52 Ų | 52 | 77.4 Ų | 77.4 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.4 | -35.1 | -179.7 | -55.8 | 0 | 0 | 0 | 0 | 112.9 | Y53 N77 K78 | Y53-S81 PolarHBondContact OH-OG 2.8Å; N77-S81 WeakPolarHBondContact O-CB 3.29Å; N77-S81 PolarHBondContact O-N 3.29Å; N77-S81 PolarHBondContact O-OG 2.82Å; K78-S81 PolarHBondContact O-N 3.13Å; K78-S81 VanDerWaalsContact O-N 3.11Å |
| 82 | E | 96.7 | Very high | 94.9 | Very high | 76 Ų | 76 | 77.1 Ų | 77.1 | 36% | 0.355 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -74.8 | -41.3 | 174.3 | -72.4 | 177 | -156.3 | 0 | 0 | 111.5 | K78 R79 I80 R85 R86 | K78-E82 WeakPolarHBondContact CE-OE1 3.5Å; K78-E82 WeakPolarHBondContact CG-OE1 3.29Å; K78-E82 WeakPolarHBondContact O-CG 3.49Å; K78-E82 PolarHBondContact O-N 2.83Å; R79-E82 PolarHBondContact O-N 3.39Å; I80-E82 PolarHBondContact O-N 3.02Å; E82-R85 WeakPolarHBondContact O-CB 3.27Å; E82-R85 PolarHBondContact O-N 3.18Å; E82-R86 WeakPolarHBondContact O-CG 3.22Å; E82-R86 PolarHBondContact O-N 3.27Å |
| 83 | S | 96 | Very high | 95.1 | Very high | 48 Ų | 48 | 76.1 Ų | 76.1 | 34% | 0.336 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.4 | -44.6 | 179.3 | -168 | 0 | 0 | 0 | 0 | 111.6 | Y56 R79 I80 R85 R86 L87 | Y56-S83 VanDerWaalsContact OH-CB 3.22Å; Y56-S83 WeakPolarHBondContact OH-CB 3.22Å; Y56-S83 PolarHBondContact OH-OG 2.62Å; R79-S83 WeakPolarHBondContact O-CB 3.15Å; R79-S83 PolarHBondContact O-N 3.41Å; I80-S83 PolarHBondContact O-N 3.29Å; S83-R85 PolarHBondContact O-N 3.49Å; S83-R86 CarbonylContact O-C 3.24Å; S83-R86 WeakPolarHBondContact O-CA 3.41Å; S83-R86 PolarHBondContact O-N 2.73Å; S83-L87 PolarHBondContact O-N 3.25Å |
| 84 | W | 96.8 | Very high | 95.5 | Very high | 54 Ų | 54 | 78 Ų | 78 | 21% | 0.205 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -53.6 | -39.2 | 172.3 | 176.4 | -104.6 | 0 | 0 | 0 | 112.8 | A52 Y53 Y56 I80 L87 K92 Y95 | A52-W84 HydrophobicContact CB-CH2 3.78Å; A52-W84 HydrophobicContact CB-CZ2 4.26Å; Y53-W84 HydrophobicContact CD2-CB 3.89Å; Y53-W84 AromaticContact CD2-CD1 3.62Å; Y53-W84 AromaticContact CD2-CD2 3.69Å; Y53-W84 HydrophobicContact CD2-CD2 3.69Å; Y53-W84 HydrophobicContact CD2-CE3 4.34Å; Y53-W84 AromaticContact CD2-CG 3.43Å; Y53-W84 HydrophobicContact CD2-CG 3.43Å; Y53-W84 VanDerWaalsContact CD2-CG 3.43Å; Y53-W84 AromaticContact CD2-NE1 3.96Å; Y53-W84 HydrophobicContact CE2-CB 3.83Å; Y53-W84 AromaticContact CE2-CG 3.89Å; Y53-W84 HydrophobicContact CE2-CG 3.89Å; Y56-W84 HydrophobicContact CD1-CB 3.96Å; Y56-W84 HydrophobicContact CD1-CD2 4.19Å; Y56-W84 AromaticContact CD1-CE3 3.48Å; Y56-W84 HydrophobicContact CD1-CE3 3.48Å; Y56-W84 VanDerWaalsContact CD1-CE3 3.48Å; Y56-W84 HydrophobicContact CD1-CG 4.42Å; Y56-W84 HydrophobicContact CD1-CZ3 4.35Å; Y56-W84 HydrophobicContact CD2-CE3 4.15Å; Y56-W84 HydrophobicContact CD2-CZ3 4.46Å; Y56-W84 HydrophobicContact CE1-CB 3.7Å; Y56-W84 HydrophobicContact CE1-CE3 4.11Å; Y56-W84 AromaticContact CG-CE3 3.48Å; Y56-W84 HydrophobicContact CG-CE3 3.48Å; Y56-W84 VanDerWaalsContact CG-CE3 3.48Å; Y56-W84 AromaticContact CG-CZ3 3.92Å; Y56-W84 HydrophobicContact CG-CZ3 3.92Å; I80-W84 WeakPolarHBondContact O-CB 3.37Å; I80-W84 PolarHBondContact O-N 2.82Å; W84-L87 HydrophobicContact CD2-CD1 4.31Å; W84-L87 HydrophobicContact CE3-CD1 3.45Å; W84-L87 VanDerWaalsContact CE3-CD1 3.45Å; W84-L87 HydrophobicContact CZ3-CD1 3.81Å; W84-K92 HydrophobicContact CH2-CG 4.33Å; W84-K92 HydrophobicContact CZ2-CG 4.47Å; W84-K92 WeakPolarHBondContact O-CE 3.29Å; W84-Y95 HydrophobicContact CZ3-CD2 4.13Å; W84-Y95 HydrophobicContact CZ3-CG 4.24Å |
| 85 | R | 96.1 | Very high | 95.6 | Very high | 194 Ų | 194 | 75.2 Ų | 75.2 | 73% | 0.732 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.4 | -42.8 | 176.8 | -163.7 | -173.6 | -53.7 | -154 | 2.2 | 111.3 | E82 S83 K92 | E82-R85 WeakPolarHBondContact O-CB 3.27Å; E82-R85 PolarHBondContact O-N 3.18Å; S83-R85 PolarHBondContact O-N 3.49Å; R85-K92 PolarHBondContact O-NZ 2.94Å |
| 86 | R | 96.6 | Very high | 95.7 | Very high | 206 Ų | 206 | 75.9 Ų | 75.9 | 78% | 0.777 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -80.5 | -15.3 | -177.2 | -65.2 | 178.8 | -166.7 | -129.9 | 8.7 | 115 | E82 S83 | E82-R86 WeakPolarHBondContact O-CG 3.22Å; E82-R86 PolarHBondContact O-N 3.27Å; S83-R86 CarbonylContact O-C 3.24Å; S83-R86 WeakPolarHBondContact O-CA 3.41Å; S83-R86 PolarHBondContact O-N 2.73Å |
| 87 | L | 95.8 | Very high | 95.7 | Very high | 19 Ų | 19 | 81.3 Ų | 81.3 | 10% | 0.099 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -51.9 | 146.6 | 175.3 | -71.2 | -178.7 | 0 | 0 | 0 | 111.7 | Y56 S83 W84 E91 K92 | Y56-L87 HydrophobicContact CD2-CD1 3.88Å; Y56-L87 HydrophobicContact CE1-CD1 4.48Å; Y56-L87 HydrophobicContact CE2-CD1 3.62Å; Y56-L87 HydrophobicContact CE2-CD2 3.99Å; Y56-L87 HydrophobicContact CE2-CG 4.21Å; Y56-L87 HydrophobicContact CG-CD1 4.4Å; S83-L87 PolarHBondContact O-N 3.25Å; W84-L87 HydrophobicContact CD2-CD1 4.31Å; W84-L87 HydrophobicContact CE3-CD1 3.45Å; W84-L87 VanDerWaalsContact CE3-CD1 3.45Å; W84-L87 HydrophobicContact CZ3-CD1 3.81Å; L87-E91 HydrophobicContact CB-CB 4.21Å; L87-E91 HydrophobicContact CD1-CB 4.32Å; L87-E91 HydrophobicContact CD2-CB 4.15Å; L87-E91 HydrophobicContact CG-CB 4.46Å; L87-K92 HydrophobicContact CB-CD 4.34Å; L87-K92 HydrophobicContact CB-CG 3.91Å; L87-K92 HydrophobicContact CD1-CG 4.32Å; L87-K92 WeakPolarHBondContact O-CE 3.42Å; L87-K92 PolarHBondContact O-NZ 3.27Å |
| 88 | S | 96.8 | Very high | 95.6 | Very high | 52 Ų | 52 | 82.9 Ų | 82.9 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | trans | -63.9 | 163.3 | 170.8 | 67.4 | 0 | 0 | 0 | 0 | 112.1 | A90 E91 K92 | S88-A90 PolarHBondContact O-N 3.35Å; S88-E91 VanDerWaalsContact CB-OE2 3.25Å; S88-E91 WeakPolarHBondContact CB-OE2 3.3Å; S88-E91 PolarHBondContact N-OE2 2.97Å; S88-E91 PolarHBondContact O-N 3.31Å; S88-E91 VanDerWaalsContact OG-CG 3.31Å; S88-E91 WeakPolarHBondContact OG-CG 3.35Å; S88-E91 PolarHBondContact OG-N 3.45Å; S88-E91 PolarHBondContact OG-OE2 3.16Å; S88-K92 WeakPolarHBondContact O-CB 3.31Å; S88-K92 WeakPolarHBondContact O-CG 3.29Å; S88-K92 PolarHBondContact O-N 3.24Å | ||
| 89 | V | 95.5 | Very high | 95.5 | Very high | 123 Ų | 123 | 78.9 Ų | 78.9 | 75% | 0.745 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.2 | -37.1 | 173.9 | -178.9 | 0 | 0 | 0 | 0 | 111 | K92 S93 | V89-K92 PolarHBondContact O-N 2.88Å; V89-S93 VanDerWaalsContact O-CB 3.3Å; V89-S93 WeakPolarHBondContact O-CB 3.43Å; V89-S93 PolarHBondContact O-N 3.41Å; V89-S93 PolarHBondContact O-OG 2.95Å |
| 90 | A | 94.5 | Very high | 95.4 | Very high | 68 Ų | 68 | 79.3 Ų | 79.3 | 56% | 0.562 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.2 | -44 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | S88 S93 Y94 | S88-A90 PolarHBondContact O-N 3.35Å; A90-S93 WeakPolarHBondContact CA-OG 3.38Å; A90-S93 PolarHBondContact O-N 2.89Å; A90-S93 PolarHBondContact O-OG 3Å; A90-Y94 PolarHBondContact O-N 3.29Å; A90-Y94 VanDerWaalsContact O-N 3.1Å |
| 91 | E | 94.5 | Very high | 95.1 | Very high | 93 Ų | 93 | 84.8 Ų | 84.8 | 44% | 0.435 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66 | -43.2 | 175.5 | -67.8 | 161.4 | 110.7 | 0 | 0 | 111 | L87 S88 S93 Y94 Y95 | L87-E91 HydrophobicContact CB-CB 4.21Å; L87-E91 HydrophobicContact CD1-CB 4.32Å; L87-E91 HydrophobicContact CD2-CB 4.15Å; L87-E91 HydrophobicContact CG-CB 4.46Å; S88-E91 VanDerWaalsContact CB-OE2 3.25Å; S88-E91 WeakPolarHBondContact CB-OE2 3.3Å; S88-E91 PolarHBondContact N-OE2 2.97Å; S88-E91 PolarHBondContact O-N 3.31Å; S88-E91 VanDerWaalsContact OG-CG 3.31Å; S88-E91 WeakPolarHBondContact OG-CG 3.35Å; S88-E91 PolarHBondContact OG-N 3.45Å; S88-E91 PolarHBondContact OG-OE2 3.16Å; E91-S93 VanDerWaalsContact C-N 3.32Å; E91-S93 PolarHBondContact O-N 2.86Å; E91-Y94 PolarHBondContact O-N 3.45Å; E91-Y95 VanDerWaalsContact O-CD2 3.26Å; E91-Y95 WeakPolarHBondContact O-CD2 3.41Å; E91-Y95 PolarHBondContact O-N 2.78Å |
| 92 | K | 95.6 | Very high | 94.6 | Very high | 57 Ų | 57 | 84.7 Ų | 84.7 | 25% | 0.248 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60 | -41.4 | 173.7 | -74.9 | 163.1 | 174 | 152.9 | 0 | 111.4 | W84 R85 L87 S88 V89 Y95 L96 | W84-K92 HydrophobicContact CH2-CG 4.33Å; W84-K92 HydrophobicContact CZ2-CG 4.47Å; W84-K92 WeakPolarHBondContact O-CE 3.29Å; R85-K92 PolarHBondContact O-NZ 2.94Å; L87-K92 HydrophobicContact CB-CD 4.34Å; L87-K92 HydrophobicContact CB-CG 3.91Å; L87-K92 HydrophobicContact CD1-CG 4.32Å; L87-K92 WeakPolarHBondContact O-CE 3.42Å; L87-K92 PolarHBondContact O-NZ 3.27Å; S88-K92 WeakPolarHBondContact O-CB 3.31Å; S88-K92 WeakPolarHBondContact O-CG 3.29Å; S88-K92 PolarHBondContact O-N 3.24Å; V89-K92 PolarHBondContact O-N 2.88Å; K92-Y95 PolarHBondContact O-N 3.04Å; K92-L96 VanDerWaalsContact O-CG 3.31Å; K92-L96 WeakPolarHBondContact O-CG 3.09Å; K92-L96 PolarHBondContact O-N 3.18Å |
| 93 | S | 95.8 | Very high | 93.9 | Very high | 57 Ų | 57 | 85.2 Ų | 85.2 | 40% | 0.399 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | -178.4 | 69.1 | 0 | 0 | 0 | 0 | 112.5 | V89 A90 E91 Y95 L96 E97 | V89-S93 VanDerWaalsContact O-CB 3.3Å; V89-S93 WeakPolarHBondContact O-CB 3.43Å; V89-S93 PolarHBondContact O-N 3.41Å; V89-S93 PolarHBondContact O-OG 2.95Å; A90-S93 WeakPolarHBondContact CA-OG 3.38Å; A90-S93 PolarHBondContact O-N 2.89Å; A90-S93 PolarHBondContact O-OG 3Å; E91-S93 VanDerWaalsContact C-N 3.32Å; E91-S93 PolarHBondContact O-N 2.86Å; S93-Y95 VanDerWaalsContact C-N 3.33Å; S93-Y95 PolarHBondContact O-N 3.4Å; S93-L96 PolarHBondContact O-N 3.04Å; S93-L96 VanDerWaalsContact O-N 3.14Å; S93-E97 WeakPolarHBondContact O-CB 3.21Å; S93-E97 PolarHBondContact O-N 2.79Å |
| 94 | Y | 96.4 | Very high | 93.2 | Very high | 120 Ų | 120 | 86.4 Ų | 86.4 | 47% | 0.471 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -55.2 | -46.3 | 171.8 | 167.5 | -101.5 | 0 | 0 | 0 | 112.1 | A90 E91 E97 R98 | A90-Y94 PolarHBondContact O-N 3.29Å; A90-Y94 VanDerWaalsContact O-N 3.1Å; E91-Y94 PolarHBondContact O-N 3.45Å; Y94-E97 PolarHBondContact O-N 3.1Å; Y94-R98 VanDerWaalsContact O-CB 3.3Å; Y94-R98 WeakPolarHBondContact O-CB 3.25Å; Y94-R98 PolarHBondContact O-N 2.87Å; Y94-R98 PolarHBondContact OH-NH1 2.75Å |
| 95 | Y | 96.4 | Very high | 92 | Very high | 30 Ų | 30 | 85.7 Ų | 85.7 | 12% | 0.118 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -71.3 | -30.6 | 177 | -73.9 | -73 | 0 | 0 | 0 | 113.3 | A52 L55 Y56 D59 W84 E91 K92 S93 A99 | A52-Y95 WeakPolarHBondContact CA-O 3.11Å; A52-Y95 VanDerWaalsContact CB-C 3.46Å; A52-Y95 VanDerWaalsContact CB-O 3.31Å; A52-Y95 WeakPolarHBondContact CB-O 3.4Å; L55-Y95 HydrophobicContact CB-CD1 3.8Å; L55-Y95 HydrophobicContact CB-CE1 4.28Å; Y56-Y95 HydrophobicContact CD2-CD2 4.1Å; Y56-Y95 AromaticContact CD2-CE2 3.57Å; Y56-Y95 HydrophobicContact CD2-CE2 3.57Å; Y56-Y95 AromaticContact CD2-CZ 3.82Å; Y56-Y95 HydrophobicContact CE2-CE2 4.47Å; Y56-Y95 HydrophobicContact CG-CE2 4.35Å; D59-Y95 WeakPolarHBondContact OD2-CE1 3.45Å; D59-Y95 PolarHBondContact OD2-OH 3.38Å; W84-Y95 HydrophobicContact CZ3-CD2 4.13Å; W84-Y95 HydrophobicContact CZ3-CG 4.24Å; E91-Y95 VanDerWaalsContact O-CD2 3.26Å; E91-Y95 WeakPolarHBondContact O-CD2 3.41Å; E91-Y95 PolarHBondContact O-N 2.78Å; K92-Y95 PolarHBondContact O-N 3.04Å; S93-Y95 VanDerWaalsContact C-N 3.33Å; S93-Y95 PolarHBondContact O-N 3.4Å; Y95-A99 VanDerWaalsContact O-CB 3.26Å; Y95-A99 WeakPolarHBondContact O-CB 3.31Å; Y95-A99 PolarHBondContact O-N 3.33Å |
| 96 | L | 94.7 | Very high | 90.8 | Very high | 61 Ų | 61 | 78.4 Ų | 78.4 | 32% | 0.319 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.8 | -41.6 | 173.6 | -72.9 | 163.2 | 0 | 0 | 0 | 112 | A52 K92 S93 A99 K100 | A52-L96 HydrophobicContact CB-CB 4.5Å; A52-L96 HydrophobicContact CB-CD2 3.78Å; A52-L96 HydrophobicContact CB-CG 3.96Å; K92-L96 VanDerWaalsContact O-CG 3.31Å; K92-L96 WeakPolarHBondContact O-CG 3.09Å; K92-L96 PolarHBondContact O-N 3.18Å; S93-L96 PolarHBondContact O-N 3.04Å; S93-L96 VanDerWaalsContact O-N 3.14Å; L96-A99 PolarHBondContact O-N 2.79Å; L96-K100 WeakPolarHBondContact O-CG 3.1Å; L96-K100 PolarHBondContact O-N 2.77Å |
| 97 | E | 94.6 | Very high | 89 | Confident | 120 Ų | 120 | 72.5 Ų | 72.5 | 56% | 0.561 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64 | -50.1 | 173.9 | -173.3 | -178.6 | 171.1 | 0 | 0 | 111.2 | S93 Y94 A99 K100 L101 | S93-E97 WeakPolarHBondContact O-CB 3.21Å; S93-E97 PolarHBondContact O-N 2.79Å; Y94-E97 PolarHBondContact O-N 3.1Å; E97-A99 PolarHBondContact O-N 3.45Å; E97-K100 WeakPolarHBondContact O-CB 3.37Å; E97-K100 PolarHBondContact O-N 3.45Å; E97-L101 HydrophobicContact CG-CD1 4.43Å; E97-L101 WeakPolarHBondContact O-CG 3.2Å; E97-L101 PolarHBondContact O-N 2.96Å |
| 98 | R | 92.6 | Very high | 87.3 | Confident | 90 Ų | 90 | 76.4 Ų | 76.4 | 34% | 0.34 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.5 | -32.1 | 177.2 | -164.6 | 173 | 173.9 | -154.5 | -6.1 | 112.5 | L55 D59 Y94 E102 | L55-R98 HydrophobicContact CD1-CB 4.04Å; L55-R98 HydrophobicContact CD1-CG 3.98Å; D59-R98 IonicContact OD2-CZ 3.98Å; D59-R98 IonicContact OD2-NH1 3.58Å; D59-R98 PolarHBondContact OD2-NH1 3.33Å; D59-R98 IonicContact OD2-NH2 2.67Å; Y94-R98 VanDerWaalsContact O-CB 3.3Å; Y94-R98 WeakPolarHBondContact O-CB 3.25Å; Y94-R98 PolarHBondContact O-N 2.87Å; Y94-R98 PolarHBondContact OH-NH1 2.75Å; R98-E102 PolarHBondContact O-N 3.28Å; R98-E102 VanDerWaalsContact O-N 3.11Å |
| 99 | A | 94.1 | Very high | 85.4 | Confident | 12 Ų | 12 | 78.5 Ų | 78.5 | 10% | 0.099 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -74.4 | -35.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A52 L55 Y95 L96 E97 E102 K103 | A52-A99 HydrophobicContact CB-CB 4.25Å; L55-A99 HydrophobicContact CD1-CB 4Å; Y95-A99 VanDerWaalsContact O-CB 3.26Å; Y95-A99 WeakPolarHBondContact O-CB 3.31Å; Y95-A99 PolarHBondContact O-N 3.33Å; L96-A99 PolarHBondContact O-N 2.79Å; E97-A99 PolarHBondContact O-N 3.45Å; A99-E102 PolarHBondContact O-N 3.22Å; A99-K103 PolarHBondContact O-N 2.82Å; A99-K103 VanDerWaalsContact O-N 3.07Å |
| 100 | K | 91.4 | Very high | 83.6 | Confident | 134 Ų | 134 | 75.7 Ų | 75.7 | 58% | 0.583 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61 | -48.4 | 170.9 | -70.5 | 166.8 | -176 | 177.9 | 0 | 110.1 | L96 E97 E102 K103 D104 | L96-K100 WeakPolarHBondContact O-CG 3.1Å; L96-K100 PolarHBondContact O-N 2.77Å; E97-K100 WeakPolarHBondContact O-CB 3.37Å; E97-K100 PolarHBondContact O-N 3.45Å; K100-E102 PolarHBondContact O-N 2.74Å; K100-K103 WeakPolarHBondContact O-CB 3.36Å; K100-K103 PolarHBondContact O-N 3.26Å; K100-K103 VanDerWaalsContact O-N 3.1Å; K100-D104 VanDerWaalsContact O-CG 3.24Å; K100-D104 PolarHBondContact O-N 3.45Å |
| 101 | L | 89.6 | Confident | 81.5 | Confident | 115 Ų | 115 | 80.5 Ų | 80.5 | 60% | 0.602 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -60 | -41 | 177.3 | -65 | 172.5 | 0 | 0 | 0 | 112.9 | E97 G105 | E97-L101 HydrophobicContact CG-CD1 4.43Å; E97-L101 WeakPolarHBondContact O-CG 3.2Å; E97-L101 PolarHBondContact O-N 2.96Å; L101-G105 PolarHBondContact O-N 2.89Å |
| 102 | E | 85.9 | Confident | 79.2 | Confident | 49 Ų | 49 | 81.4 Ų | 81.4 | 23% | 0.229 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.4 | -37.3 | 175 | -159.5 | -174.1 | 104.5 | 0 | 0 | 111.9 | P49 R50 R98 A99 K100 I106 | P49-E102 WeakPolarHBondContact CA-OE1 3.19Å; R50-E102 WeakPolarHBondContact CB-OE1 3.42Å; R50-E102 WeakPolarHBondContact CG-OE1 3.29Å; R50-E102 IonicContact CZ-OE2 3.83Å; R50-E102 PolarHBondContact N-OE1 2.93Å; R50-E102 IonicContact NH1-OE1 3.84Å; R50-E102 IonicContact NH1-OE2 2.8Å; R50-E102 PolarHBondContact NH1-OE2 3.41Å; R98-E102 PolarHBondContact O-N 3.28Å; R98-E102 VanDerWaalsContact O-N 3.11Å; A99-E102 PolarHBondContact O-N 3.22Å; K100-E102 PolarHBondContact O-N 2.74Å; E102-I106 HydrophobicContact CG-CD1 4.29Å; E102-I106 WeakPolarHBondContact O-CD1 3.5Å; E102-I106 VanDerWaalsContact O-CG1 3.28Å; E102-I106 WeakPolarHBondContact O-CG1 3.22Å; E102-I106 PolarHBondContact O-N 2.9Å |
| 103 | K | 82.6 | Confident | 77.1 | Confident | 87 Ų | 87 | 82.5 Ų | 82.5 | 38% | 0.378 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.5 | -53.2 | 174.4 | 175.6 | -154 | 156.6 | -63 | 0 | 111.5 | P49 A99 K100 G105 I106 D107 | P49-K103 HydrophobicContact CB-CB 3.89Å; P49-K103 HydrophobicContact CG-CB 3.99Å; P49-K103 HydrophobicContact CG-CG 4.2Å; A99-K103 PolarHBondContact O-N 2.82Å; A99-K103 VanDerWaalsContact O-N 3.07Å; K100-K103 WeakPolarHBondContact O-CB 3.36Å; K100-K103 PolarHBondContact O-N 3.26Å; K100-K103 VanDerWaalsContact O-N 3.1Å; K103-G105 VanDerWaalsContact C-N 3.34Å; K103-G105 PolarHBondContact O-N 3.39Å; K103-I106 WeakPolarHBondContact O-CB 3.44Å; K103-I106 PolarHBondContact O-N 3.29Å; K103-D107 WeakPolarHBondContact CE-OD2 3.5Å; K103-D107 IonicContact NZ-OD2 3.39Å; K103-D107 PolarHBondContact NZ-OD2 3.26Å; K103-D107 PolarHBondContact O-N 3.29Å |
| 104 | D | 80.1 | Confident | 75 | Confident | 74 Ų | 74 | 83.9 Ų | 83.9 | 40% | 0.396 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.3 | -35.9 | -169.8 | -61.2 | -28.8 | 0 | 0 | 0 | 111.3 | K100 I106 D107 T108 | K100-D104 VanDerWaalsContact O-CG 3.24Å; K100-D104 PolarHBondContact O-N 3.45Å; D104-I106 VanDerWaalsContact C-N 3.35Å; D104-I106 PolarHBondContact O-N 3.03Å; D104-D107 PolarHBondContact O-N 3.38Å; D104-T108 PolarHBondContact O-N 3.37Å; D104-T108 PolarHBondContact O-OG1 3.46Å; D104-T108 VanDerWaalsContact O-OG1 3.07Å |
| 105 | G | 73.3 | Confident | 72.8 | Confident | 38 Ų | 38 | 88 Ų | 88 | 39% | 0.392 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.7 | -33.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L101 K103 T109 | L101-G105 PolarHBondContact O-N 2.89Å; K103-G105 VanDerWaalsContact C-N 3.34Å; K103-G105 PolarHBondContact O-N 3.39Å; G105-T109 WeakPolarHBondContact O-CB 3.39Å; G105-T109 PolarHBondContact O-N 3.4Å; G105-T109 VanDerWaalsContact O-N 3.11Å; G105-T109 PolarHBondContact O-OG1 3.1Å |
| 106 | I | 69.3 | Low | 71 | Confident | 42 Ų | 42 | 92.9 Ų | 92.9 | 22% | 0.215 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -72 | -41.1 | 174.6 | -74 | 168.1 | 0 | 0 | 0 | 111 | P46 K47 P49 E102 K103 D104 T109 S110 | P46-I106 HydrophobicContact CB-CG2 4.22Å; K47-I106 WeakPolarHBondContact O-CD1 3.31Å; P49-I106 HydrophobicContact CB-CD1 4Å; P49-I106 HydrophobicContact CG-CD1 4.5Å; E102-I106 HydrophobicContact CG-CD1 4.29Å; E102-I106 WeakPolarHBondContact O-CD1 3.5Å; E102-I106 VanDerWaalsContact O-CG1 3.28Å; E102-I106 WeakPolarHBondContact O-CG1 3.22Å; E102-I106 PolarHBondContact O-N 2.9Å; K103-I106 WeakPolarHBondContact O-CB 3.44Å; K103-I106 PolarHBondContact O-N 3.29Å; D104-I106 VanDerWaalsContact C-N 3.35Å; D104-I106 PolarHBondContact O-N 3.03Å; I106-T109 PolarHBondContact O-N 2.84Å; I106-S110 VanDerWaalsContact O-CB 3.3Å; I106-S110 WeakPolarHBondContact O-CB 3.3Å; I106-S110 PolarHBondContact O-N 3.02Å |
| 107 | D | 59.4 | Low | 69.6 | Low | 81 Ų | 81 | 95.3 Ų | 95.3 | 43% | 0.433 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 178.3 | -71.7 | -27.2 | 0 | 0 | 0 | 111.3 | K103 D104 S110 Q111 | K103-D107 WeakPolarHBondContact CE-OD2 3.5Å; K103-D107 IonicContact NZ-OD2 3.39Å; K103-D107 PolarHBondContact NZ-OD2 3.26Å; K103-D107 PolarHBondContact O-N 3.29Å; D104-D107 PolarHBondContact O-N 3.38Å; D107-S110 PolarHBondContact O-N 2.94Å; D107-Q111 PolarHBondContact O-N 3.09Å |
| 108 | T | 60.6 | Low | 67.9 | Low | 101 Ų | 101 | 95.9 Ų | 95.9 | 62% | 0.62 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60 | -46.1 | 173.1 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | D104 S110 Q111 S112 | D104-T108 PolarHBondContact O-N 3.37Å; D104-T108 PolarHBondContact O-OG1 3.46Å; D104-T108 VanDerWaalsContact O-OG1 3.07Å; T108-S110 VanDerWaalsContact C-N 3.34Å; T108-S110 PolarHBondContact O-N 3.49Å; T108-Q111 PolarHBondContact O-N 2.79Å; T108-S112 PolarHBondContact O-N 3.42Å |
| 109 | T | 57.3 | Low | 66.2 | Low | 97 Ų | 97 | 95.1 Ų | 95.1 | 60% | 0.595 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64 | -38.5 | 178.2 | -58 | 0 | 0 | 0 | 0 | 112 | G105 I106 Q111 S112 S113 | G105-T109 WeakPolarHBondContact O-CB 3.39Å; G105-T109 PolarHBondContact O-N 3.4Å; G105-T109 VanDerWaalsContact O-N 3.11Å; G105-T109 PolarHBondContact O-OG1 3.1Å; I106-T109 PolarHBondContact O-N 2.84Å; T109-Q111 VanDerWaalsContact C-N 3.3Å; T109-Q111 PolarHBondContact O-N 3.44Å; T109-S112 PolarHBondContact O-N 3.02Å; T109-S113 PolarHBondContact O-OG 3.44Å |
| 110 | S | 57.9 | Low | 64.6 | Low | 63 Ų | 63 | 102.4 Ų | 102.4 | 44% | 0.441 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.1 | -22.1 | 178.2 | -167.7 | 0 | 0 | 0 | 0 | 113.2 | I106 D107 T108 S113 | I106-S110 VanDerWaalsContact O-CB 3.3Å; I106-S110 WeakPolarHBondContact O-CB 3.3Å; I106-S110 PolarHBondContact O-N 3.02Å; D107-S110 PolarHBondContact O-N 2.94Å; T108-S110 VanDerWaalsContact C-N 3.34Å; T108-S110 PolarHBondContact O-N 3.49Å; S110-S113 PolarHBondContact O-OG 3.18Å |
| 111 | Q | 50.3 | Low | 63.5 | Low | 169 Ų | 169 | 106.7 Ų | 106.7 | 79% | 0.79 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -76 | -29.9 | 175.8 | -167.6 | 174.7 | 78 | 0 | 0 | 112.4 | D107 T108 T109 S113 | D107-Q111 PolarHBondContact O-N 3.09Å; T108-Q111 PolarHBondContact O-N 2.79Å; T109-Q111 VanDerWaalsContact C-N 3.3Å; T109-Q111 PolarHBondContact O-N 3.44Å; Q111-S113 VanDerWaalsContact C-N 3.28Å; Q111-S113 PolarHBondContact O-N 3.22Å |
| 112 | S | 46.3 | Very low | 62.2 | Low | 113 Ų | 113 | 110 Ų | 110 | 79% | 0.79 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -16.1 | 176.8 | -164.3 | 0 | 0 | 0 | 0 | 113.8 | T108 T109 | T108-S112 PolarHBondContact O-N 3.42Å; T109-S112 PolarHBondContact O-N 3.02Å |
| 113 | S | 49.4 | Very low | 61.5 | Low | 80 Ų | 80 | 114.8 Ų | 114.8 | 56% | 0.559 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 22.2 | -163.9 | 47.4 | 0 | 0 | 0 | 0 | 116.5 | T109 S110 Q111 | T109-S113 PolarHBondContact O-OG 3.44Å; S110-S113 PolarHBondContact O-OG 3.18Å; Q111-S113 VanDerWaalsContact C-N 3.28Å; Q111-S113 PolarHBondContact O-N 3.22Å |
| 114 | S | 53.2 | Low | 60.5 | Low | 86 Ų | 86 | 117.2 Ų | 117.2 | 60% | 0.601 | 64% | 0.639 | S | S | * | * | trans | -162.3 | 122.5 | 154.5 | -171.8 | 0 | 0 | 0 | 0 | 115.5 | H116 | S114-H116 PolarHBondContact OG-N 2.97Š| ||
| 115 | K | 49.8 | Very low | 59.4 | Low | 206 Ų | 206 | 119.2 Ų | 119.2 | 90% | 0.896 | 66% | 0.656 | S | S | * | * | trans | -127.8 | 51.5 | 147.7 | -73.1 | -171.2 | 179.8 | 176.5 | 0 | 110.9 | L117 | K115-L117 PolarHBondContact O-N 2.82Š| ||
| 116 | H | 58.9 | Low | 58.5 | Low | 132 Ų | 132 | 129.2 Ų | 129.2 | 61% | 0.611 | 68% | 0.681 | S | S | * | * | trans | -72.3 | 91.7 | 169 | -176.1 | -65.5 | 0 | 0 | 0 | 110.1 | S114 | S114-H116 PolarHBondContact OG-N 2.97Š| ||
| 117 | L | 64.5 | Low | 57.7 | Low | 113 Ų | 113 | 130.1 Ų | 130.1 | 59% | 0.592 | 70% | 0.695 | S | S | * | * | trans | -57.4 | 125.7 | -179.2 | -66.5 | 174.4 | 0 | 0 | 0 | 111.8 | K115 G119 | K115-L117 PolarHBondContact O-N 2.82Å; L117-G119 PolarHBondContact O-N 3.49Å; L117-G119 VanDerWaalsContact O-N 3.15Å | ||
| 118 | P | 60.2 | Low | 57.5 | Low | 131 Ų | 131 | 132.9 Ų | 132.9 | 85% | 0.851 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 109 | 179.5 | 29.3 | -33.3 | 0 | 0 | 0 | 110.3 | ||
| 119 | G | 55.8 | Low | 57.1 | Low | 75 Ų | 75 | 133.6 Ų | 133.6 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 133.6 | -28.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L117 R121 | L117-G119 PolarHBondContact O-N 3.49Å; L117-G119 VanDerWaalsContact O-N 3.15Å; G119-R121 PolarHBondContact O-N 3.02Å |
| 120 | F | 60.9 | Low | 56.9 | Low | 165 Ų | 165 | 137.2 Ų | 137.2 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | trans | -71.9 | 96.9 | 175.1 | -105.6 | -87 | 0 | 0 | 0 | 110.9 | K122 | F120-K122 PolarHBondContact O-N 3.4Š| ||
| 121 | R | 68.1 | Low | 56.7 | Low | 223 Ų | 223 | 142.2 Ų | 142.2 | 84% | 0.842 | 75% | 0.747 | S | S | * | * | trans | -63.9 | 124.5 | 159.3 | -61.9 | -173 | -174.3 | -151.8 | 2.7 | 107 | G119 I123 | G119-R121 PolarHBondContact O-N 3.02Å; R121-I123 VanDerWaalsContact C-N 3.25Å; R121-I123 PolarHBondContact O-N 3.14Å | ||
| 122 | K | 63.3 | Low | 56.8 | Low | 185 Ų | 185 | 140 Ų | 140 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -65.9 | 86.6 | 170.9 | -74.1 | -172.1 | 174.7 | -174.7 | 0 | 109.6 | F120 L124 | F120-K122 PolarHBondContact O-N 3.4Å; K122-L124 PolarHBondContact O-N 3.31Å; K122-L124 VanDerWaalsContact O-N 3.15Å | ||
| 123 | I | 69.9 | Low | 57 | Low | 149 Ų | 149 | 140.2 Ų | 140.2 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | trans | -66.3 | 108 | 161 | -58.7 | 175.6 | 0 | 0 | 0 | 105.1 | R121 | R121-I123 VanDerWaalsContact C-N 3.25Å; R121-I123 PolarHBondContact O-N 3.14Å | ||
| 124 | L | 61.9 | Low | 56.6 | Low | 139 Ų | 139 | 144 Ų | 144 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | trans | -59.1 | 134.7 | 169.5 | -72.7 | 99.6 | 0 | 0 | 0 | 108 | K122 R126 | K122-L124 PolarHBondContact O-N 3.31Å; K122-L124 VanDerWaalsContact O-N 3.15Å; L124-R126 PolarHBondContact O-N 3.45Å | ||
| 125 | P | 56.7 | Low | 56 | Low | 115 Ų | 115 | 145.1 Ų | 145.1 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | trans | -55.2 | 112.2 | 170.9 | -24.1 | 34.3 | 0 | 0 | 0 | 109.2 | A127 | P125-A127 PolarHBondContact O-N 3.04Š| ||
| 126 | R | 55.3 | Low | 55.4 | Low | 248 Ų | 248 | 140.4 Ų | 140.4 | 94% | 0.936 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -82 | 11.6 | -179.5 | -67.2 | -166.2 | 65.4 | 142 | 0.5 | 113.1 | L124 | L124-R126 PolarHBondContact O-N 3.45Š|
| 127 | A | 51.3 | Low | 54.7 | Low | 61 Ų | 61 | 139.3 Ų | 139.3 | 50% | 0.504 | 77% | 0.771 | S | S | . | * | S | Bend | trans | -144.4 | 139.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | P125 C129 | P125-A127 PolarHBondContact O-N 3.04Å; A127-C129 PolarHBondContact O-N 2.77Å; A127-C129 VanDerWaalsContact O-N 3.14Å |
| 128 | N | 55.2 | Low | 53.9 | Low | 140 Ų | 140 | 139.3 Ų | 139.3 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | -76 | 95.3 | 166.7 | -74.6 | -4.6 | 0 | 0 | 0 | 108.3 | F130 | N128-F130 HydrophobicContact CB-CD2 4.36Å; N128-F130 HydrophobicContact CB-CE2 3.91Å; N128-F130 HydrophobicContact CB-CZ 4.43Å; N128-F130 WeakPolarHBondContact O-CD2 3.31Å; N128-F130 PolarHBondContact O-N 3.1Å | ||
| 129 | C | 52.5 | Low | 52.7 | Low | 115 Ų | 115 | 139.4 Ų | 139.4 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | -73.7 | 88.7 | 173.9 | -64.1 | 0 | 0 | 0 | 0 | 110.2 | A127 L131 | A127-C129 PolarHBondContact O-N 2.77Å; A127-C129 VanDerWaalsContact O-N 3.14Å; C129-L131 PolarHBondContact O-N 3.12Å | ||
| 130 | F | 52.7 | Low | 51.7 | Low | 173 Ų | 173 | 145.8 Ų | 145.8 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | -67.8 | 116.6 | 164.7 | -65.2 | -81.4 | 0 | 0 | 0 | 109.1 | N128 V132 | N128-F130 HydrophobicContact CB-CD2 4.36Å; N128-F130 HydrophobicContact CB-CE2 3.91Å; N128-F130 HydrophobicContact CB-CZ 4.43Å; N128-F130 WeakPolarHBondContact O-CD2 3.31Å; N128-F130 PolarHBondContact O-N 3.1Å; F130-V132 PolarHBondContact O-N 3.21Å; F130-V132 VanDerWaalsContact O-N 3.11Å | ||
| 131 | L | 53.6 | Low | 50.5 | Low | 169 Ų | 169 | 145.9 Ų | 145.9 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | -74.2 | 96.8 | 169.2 | -79.1 | 165.3 | 0 | 0 | 0 | 108.7 | C129 P133 | C129-L131 PolarHBondContact O-N 3.12Å; L131-P133 WeakPolarHBondContact O-CD 3.26Å | ||
| 132 | V | 53.6 | Low | 49.2 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 121.9 | 168.8 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | F130 N134 | F130-V132 PolarHBondContact O-N 3.21Å; F130-V132 VanDerWaalsContact O-N 3.11Å; V132-N134 PolarHBondContact O-N 2.96Å |
| 133 | P | 50.2 | Low | 47.7 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 126.6 | 171.7 | -20.5 | 33.5 | 0 | 0 | 0 | 109.8 | L131 S135 | L131-P133 WeakPolarHBondContact O-CD 3.26Å; P133-S135 PolarHBondContact O-N 2.67Å |
| 134 | N | 41.3 | Very low | 46 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67 | 128.9 | 179.2 | -169.5 | 17.1 | 0 | 0 | 0 | 110.1 | V132 A136 | V132-N134 PolarHBondContact O-N 2.96Å; N134-A136 PolarHBondContact O-N 3.03Å |
| 135 | S | 40.6 | Very low | 44.6 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -78.6 | 104.2 | -169.4 | 55.6 | 0 | 0 | 0 | 0 | 112.4 | P133 | P133-S135 PolarHBondContact O-N 2.67Š| ||
| 136 | A | 36.9 | Very low | 43.4 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | trans | -97.2 | 106.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | N134 | N134-A136 PolarHBondContact O-N 3.03Š| ||
| 137 | S | 43.7 | Very low | 42.4 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | trans | -153.5 | 135.2 | 172 | -169.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 138 | P | 49.4 | Very low | 41.6 | Very low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | -145 | 159.9 | 88.4 | 38.4 | -23.1 | 0 | 0 | 0 | 116 | |||||
| 139 | N | 35.1 | Very low | 40.5 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | 63.7 | 133.5 | 165 | -89.7 | -51.6 | 0 | 0 | 0 | 117 | ||||
| 140 | Y | 34.2 | Very low | 39.4 | Very low | 209 Ų | 209 | 131 Ų | 131 | 82% | 0.82 | 77% | 0.77 | S | S | * | * | -147.4 | 141.9 | 54.7 | -108.2 | -95.2 | 0 | 0 | 0 | 114.3 | |||||
| 141 | Q | 35.8 | Very low | 38.6 | Very low | 166 Ų | 166 | 130.1 Ų | 130.1 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | 57.9 | 142.4 | 161 | -72.1 | -69.7 | 12.4 | 0 | 0 | 120.3 | ||||
| 142 | A | 40.4 | Very low | 37.9 | Very low | 85 Ų | 85 | 129.2 Ų | 129.2 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | -119.2 | 152.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 143 | V | 30.9 | Very low | 36.9 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 90% | 0.903 | 77% | 0.769 | S | S | * | * | trans | -153.3 | 138.7 | 145 | 144.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 144 | G | 34.2 | Very low | 36.3 | Very low | 65 Ų | 65 | 130.3 Ų | 130.3 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | trans | -134.7 | 145.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 145 | S | 33.1 | Very low | 35.9 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | -171.1 | 134.3 | 163.9 | -87.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 146 | Q | 32.1 | Very low | 35.3 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | 74.2 | 146.1 | 134.8 | -70.8 | -73.5 | 26.8 | 0 | 0 | 123.6 | ||||
| 147 | S | 33.3 | Very low | 35.2 | Very low | 99 Ų | 99 | 132.4 Ų | 132.4 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | trans | 68.7 | 144.4 | 154.7 | -136.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 148 | E | 35.1 | Very low | 34.8 | Very low | 154 Ų | 154 | 132 Ų | 132 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | cis | 178.5 | 176.8 | -41.6 | -102.6 | 163.6 | 140.9 | 0 | 0 | 107.7 | ||||
| 149 | V | 31.2 | Very low | 34.3 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 74.3 | 128.9 | 168.7 | -174.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 150 | C | 30 | Very low | 34.2 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | cis | -158.9 | 137.2 | -19.9 | -111.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 151 | I | 35.3 | Very low | 34.1 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 80% | 0.795 | 77% | 0.772 | S | S | * | * | 43.6 | 92.2 | 126.6 | -51.9 | 178.7 | 0 | 0 | 0 | 119.1 | |||||
| 152 | E | 39.7 | Very low | 34.3 | Very low | 150 Ų | 150 | 129.1 Ų | 129.1 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | 23.4 | 142.5 | 114.3 | -162.7 | 175.2 | 135 | 0 | 0 | 122.6 | I154 | E152-I154 HydrophobicContact CG-CD1 4.06Å; E152-I154 HydrophobicContact CG-CG1 4.21Å | |||
| 153 | S | 32.8 | Very low | 33.9 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -157.1 | 143.4 | 143.1 | -83.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 154 | I | 36.8 | Very low | 34.2 | Very low | 141 Ų | 141 | 130.2 Ų | 130.2 | 72% | 0.723 | 78% | 0.782 | S | S | * | * | trans | -151.4 | 145.6 | -164.5 | -71.2 | 177.8 | 0 | 0 | 0 | 106.9 | E152 | E152-I154 HydrophobicContact CG-CD1 4.06Å; E152-I154 HydrophobicContact CG-CG1 4.21Å | ||
| 155 | D | 34.2 | Very low | 34.2 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 63% | 0.631 | 79% | 0.793 | S | S | * | * | cis | -136.9 | -169.9 | 1.7 | -177.5 | 33.9 | 0 | 0 | 0 | 108.8 | S157 | D155-S157 PolarHBondContact OD2-N 3.1Š| ||
| 156 | F | 27.3 | Very low | 34.1 | Very low | 200 Ų | 200 | 133 Ų | 133 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | -171.3 | 140 | 109.7 | -113.3 | -79.2 | 0 | 0 | 0 | 114.7 | |||||
| 157 | S | 35.5 | Very low | 34.1 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -93.3 | 137.9 | 174.4 | 178.7 | 0 | 0 | 0 | 0 | 113.7 | D155 | D155-S157 PolarHBondContact OD2-N 3.1Š| ||
| 158 | A | 34.7 | Very low | 34.1 | Very low | 100 Ų | 100 | 140.5 Ų | 140.5 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | -158.3 | 159.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 159 | E | 38.2 | Very low | 33.9 | Very low | 201 Ų | 201 | 139.7 Ų | 139.7 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | trans | -83.3 | 156.6 | -167.3 | -49 | -175.3 | 143.5 | 0 | 0 | 115.1 | ||||
| 160 | G | 32.3 | Very low | 34 | Very low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | 125.4 | 143.7 | 134 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 161 | S | 32.3 | Very low | 33.9 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | 76.7 | 165.5 | 157.2 | -148.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 162 | L | 41.7 | Very low | 33.7 | Very low | 159 Ų | 159 | 141 Ų | 141 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -108.9 | 147.4 | -166.2 | -60.5 | 165.8 | 0 | 0 | 0 | 111.8 | ||||
| 163 | C | 31.6 | Very low | 33.2 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 89% | 0.885 | 83% | 0.826 | S | S | * | * | trans | -158.6 | 139.8 | 142.5 | -105.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 164 | S | 36.6 | Very low | 33.1 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 131.7 | 171.1 | -60.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 165 | V | 33.2 | Very low | 32.9 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 126.4 | 171.8 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 166 | A | 31 | Very low | 33.1 | Very low | 88 Ų | 88 | 142.5 Ų | 142.5 | 73% | 0.727 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 136.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 167 | L | 32.8 | Very low | 33.3 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 95% | 0.948 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 128 | 164.6 | -78.9 | 164.3 | 0 | 0 | 0 | 109.8 | ||
| 168 | R | 32.7 | Very low | 33 | Very low | 241 Ų | 241 | 143.7 Ų | 143.7 | 91% | 0.909 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 142.8 | 177.2 | -69.9 | -174.9 | -177.9 | 157.8 | 0.9 | 111.6 | ||
| 169 | V | 32.2 | Very low | 32.8 | Very low | 136 Ų | 136 | 147.1 Ų | 147.1 | 82% | 0.824 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 137.4 | 172.1 | 178.4 | 0 | 0 | 0 | 0 | 110 | ||
| 170 | P | 33 | Very low | 32.4 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 79% | 0.792 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 138.8 | 171.1 | 31 | -33.7 | 0 | 0 | 0 | 111.4 | ||
| 171 | K | 28.5 | Very low | 32.5 | Very low | 193 Ų | 193 | 143.2 Ų | 143.2 | 84% | 0.839 | 84% | 0.84 | S | S | * | * | trans | -120.1 | 144.9 | 172.7 | -173.2 | 174.5 | 172.7 | 69.1 | 0 | 110.3 | ||||
| 172 | S | 30.3 | Very low | 32.9 | Very low | 100 Ų | 100 | 145.8 Ų | 145.8 | 70% | 0.699 | 84% | 0.838 | S | S | * | * | trans | -60 | 153.2 | -179.7 | 48.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 173 | K | 30.3 | Very low | 32.5 | Very low | 208 Ų | 208 | 145.5 Ų | 145.5 | 90% | 0.904 | 84% | 0.842 | S | S | * | * | trans | -126.3 | 141.1 | 159.3 | -73.1 | -171.5 | 174.5 | -173.5 | 0 | 109 | ||||
| 174 | V | 30.6 | Very low | 32.7 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 86% | 0.861 | 84% | 0.837 | S | S | * | * | trans | -131.4 | 145.3 | 168.7 | 178.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 175 | A | 32.5 | Very low | 32.3 | Very low | 82 Ų | 82 | 148.7 Ų | 148.7 | 68% | 0.678 | 83% | 0.833 | S | S | * | * | trans | -98 | 156.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 176 | P | 38.4 | Very low | 32.3 | Very low | 132 Ų | 132 | 147 Ų | 147 | 86% | 0.857 | 83% | 0.828 | S | S | * | * | trans | -75.1 | 167.5 | 178.3 | 32.5 | -36.1 | 0 | 0 | 0 | 112.9 | ||||
| 177 | V | 31.6 | Very low | 32.6 | Very low | 143 Ų | 143 | 150.3 Ų | 150.3 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | trans | -110.3 | 146.5 | -176.9 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 178 | E | 29.2 | Very low | 32.8 | Very low | 184 Ų | 184 | 147.6 Ų | 147.6 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -135.8 | 120.4 | 162.7 | -179.3 | -178.7 | -161.2 | 0 | 0 | 109.7 | ||||
| 179 | L | 29.2 | Very low | 33.1 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | trans | -176.2 | 147.3 | 142.5 | -107.7 | 160.3 | 0 | 0 | 0 | 109.4 | ||||
| 180 | A | 30.2 | Very low | 32.8 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | trans | -100.2 | 151.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 181 | A | 34.6 | Very low | 32.8 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -152.9 | 112.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 182 | E | 40.2 | Very low | 33.6 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -73.3 | 141.9 | 167.6 | -60.2 | -74.9 | 123.4 | 0 | 0 | 109.8 | ||||
| 183 | V | 34.3 | Very low | 33.4 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -172.9 | 153.4 | 138.1 | 137.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 184 | E | 35.5 | Very low | 33.3 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -94.6 | -179.5 | -159.4 | -162.5 | -171.5 | 115 | 0 | 0 | 114.3 | ||||
| 185 | I | 29.1 | Very low | 33.3 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | 81.2 | 127.3 | 163.2 | -51.1 | 164.5 | 0 | 0 | 0 | 115.6 | ||||
| 186 | S | 31.8 | Very low | 33.4 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | cis | -163.1 | 165.6 | -21.7 | -166 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 187 | E | 38.4 | Very low | 33.2 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | -72.5 | 157.9 | 176.4 | -119.1 | -176 | 132.1 | 0 | 0 | 113.1 | P189 | E187-P189 WeakPolarHBondContact OE1-CD 3.44Å; E187-P189 WeakPolarHBondContact OE1-CG 3.12Å | ||
| 188 | P | 35.9 | Very low | 33.3 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | -152.7 | 155.6 | 93.8 | 39.8 | -23 | 0 | 0 | 0 | 117.3 | |||||
| 189 | P | 39.1 | Very low | 33.4 | Very low | 89 Ų | 89 | 132.1 Ų | 132.1 | 58% | 0.578 | 77% | 0.772 | S | S | * | * | trans | -137.3 | 171.4 | 161.3 | 42.3 | -28.4 | 0 | 0 | 0 | 115.4 | E187 | E187-P189 WeakPolarHBondContact OE1-CD 3.44Å; E187-P189 WeakPolarHBondContact OE1-CG 3.12Å | ||
| 190 | T | 26.6 | Very low | 33.4 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | 87 | 86.7 | 147 | -53.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 191 | V | 31.7 | Very low | 33.4 | Very low | 134 Ų | 134 | 131.7 Ų | 131.7 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | 66.8 | -164.1 | 133.1 | -137.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 192 | P | 45.6 | Very low | 33.2 | Very low | 113 Ų | 113 | 132 Ų | 132 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | -130 | -174.8 | -118.5 | 45.3 | -27.9 | 0 | 0 | 0 | 118.9 | |||||
| 193 | S | 27.8 | Very low | 32.7 | Very low | 96 Ų | 96 | 128.5 Ų | 128.5 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | 120.8 | 134.7 | 132.4 | -126 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 194 | D | 28.2 | Very low | 33.3 | Very low | 135 Ų | 135 | 126.2 Ų | 126.2 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | trans | 62.4 | 158.7 | 153.5 | -68.8 | -70.3 | 0 | 0 | 0 | 119.7 | ||||
| 195 | T | 30 | Very low | 33.1 | Very low | 122 Ų | 122 | 125.2 Ų | 125.2 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | cis | -149.1 | 149.3 | 8.9 | -18.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 196 | A | 33.8 | Very low | 33 | Very low | 87 Ų | 87 | 127.6 Ų | 127.6 | 72% | 0.719 | 74% | 0.742 | S | S | * | * | trans | 61.7 | 168.2 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 197 | E | 35.5 | Very low | 32.8 | Very low | 176 Ų | 176 | 128.2 Ų | 128.2 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | cis | -132.7 | 149.9 | 6.5 | -71.5 | -178.8 | 136.5 | 0 | 0 | 112.6 | ||||
| 198 | E | 33 | Very low | 32.4 | Very low | 168 Ų | 168 | 125.7 Ų | 125.7 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | 42.1 | 144.5 | 144.6 | -53.9 | -82.9 | 84.9 | 0 | 0 | 120.5 | ||||
| 199 | T | 31.8 | Very low | 32.8 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | cis | -169.4 | 139.9 | 46.9 | -35.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 200 | V | 29.3 | Very low | 32 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | 61.8 | 93.3 | 149.6 | 166.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 201 | V | 29.5 | Very low | 31.9 | Very low | 129 Ų | 129 | 130 Ų | 130 | 78% | 0.782 | 74% | 0.744 | S | S | * | * | 78.1 | 145.4 | 114.1 | 105.9 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 202 | S | 30.1 | Very low | 31.8 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | trans | 74.5 | 105 | 155.7 | -68.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 203 | S | 29.2 | Very low | 31.1 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | trans | -73.6 | 179.4 | 148.9 | -138.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 204 | P | 48.1 | Very low | 31.3 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | cis | -144.9 | -170.4 | 9.3 | 43.3 | -22.8 | 0 | 0 | 0 | 117.7 | ||||
| 205 | Q | 29.9 | Very low | 31.3 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 70% | 0.696 | 73% | 0.732 | S | S | * | * | trans | 86.1 | 107.3 | 151.6 | -77.4 | -162.3 | 72.8 | 0 | 0 | 122.3 | ||||
| 206 | R | 27.9 | Very low | 31.2 | Very low | 204 Ų | 204 | 130.6 Ų | 130.6 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | 81.5 | 152 | 114.5 | -159.5 | -163.6 | -86.3 | -100.3 | 4.4 | 118.9 | |||||
| 207 | T | 28.6 | Very low | 30.8 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 76% | 0.761 | 74% | 0.739 | S | S | * | * | trans | 79.5 | 108.1 | 156.3 | 15.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 208 | S | 28.9 | Very low | 30.5 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | trans | -50.1 | 172.6 | 138.5 | -28.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 209 | P | 43.7 | Very low | 30.5 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | cis | -151.8 | -174 | 22 | 46.2 | -26.1 | 0 | 0 | 0 | 118.1 | ||||
| 210 | W | 23.7 | Very low | 30.3 | Very low | 225 Ų | 225 | 128.9 Ų | 128.9 | 85% | 0.852 | 74% | 0.736 | S | S | * | * | trans | 69.1 | 142 | 137.3 | -164.1 | -110.9 | 0 | 0 | 0 | 121.5 | ||||
| 211 | S | 24.5 | Very low | 30.5 | Very low | 85 Ų | 85 | 128.5 Ų | 128.5 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | trans | 67.2 | 154.6 | 165.5 | -92.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 212 | S | 29 | Very low | 30.6 | Very low | 90 Ų | 90 | 131.1 Ų | 131.1 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | cis | 173.8 | 154.8 | -27.7 | -100.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 213 | S | 31 | Very low | 30.4 | Very low | 82 Ų | 82 | 129 Ų | 129 | 57% | 0.573 | 73% | 0.733 | S | S | * | * | trans | 68.3 | 122.5 | 146.1 | -78.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 214 | K | 32.5 | Very low | 30.6 | Very low | 183 Ų | 183 | 129 Ų | 129 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | trans | 76.3 | 149 | 132.9 | -60.2 | 167.8 | -163 | 168.3 | 0 | 116.2 | ||||
| 215 | T | 26.6 | Very low | 29.7 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | cis | -166.6 | 165.6 | -1.6 | 11.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 216 | L | 28.6 | Very low | 29.6 | Very low | 145 Ų | 145 | 130 Ų | 130 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | 61 | 121.6 | 144.9 | -70.2 | 161.3 | 0 | 0 | 0 | 120.8 | ||||
| 217 | T | 26 | Very low | 29.5 | Very low | 140 Ų | 140 | 125.4 Ų | 125.4 | 86% | 0.859 | 75% | 0.747 | S | S | * | * | 174.9 | 140 | 110.9 | 35.4 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 218 | S | 29.5 | Very low | 29.5 | Very low | 97 Ų | 97 | 125.8 Ų | 125.8 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | cis | 110.1 | 83.7 | 7.3 | -168.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 219 | T | 31.3 | Very low | 29.6 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 83% | 0.828 | 75% | 0.751 | S | S | * | * | trans | -161.2 | 134.9 | 150.5 | 15 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 220 | D | 29.3 | Very low | 29.2 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | cis | 68.9 | 135.7 | 44.5 | -100.6 | 120.8 | 0 | 0 | 0 | 113.8 | ||||
| 221 | V | 32.9 | Very low | 29.7 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 71% | 0.709 | 75% | 0.746 | S | S | * | * | cis | -141 | 175.4 | 14.9 | -159.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 222 | Q | 31.9 | Very low | 30.2 | Very low | 184 Ų | 184 | 129.1 Ų | 129.1 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | 107.2 | 137.5 | 142.5 | -141.8 | 93.9 | 27.5 | 0 | 0 | 119.4 | ||||
| 223 | G | 26.5 | Very low | 30.3 | Very low | 63 Ų | 63 | 132 Ų | 132 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | trans | -168.9 | 166.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 224 | S | 32.5 | Very low | 30.1 | Very low | 112 Ų | 112 | 135 Ų | 135 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -175.2 | 140.7 | 168.9 | -84.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 225 | Q | 29.3 | Very low | 30 | Very low | 198 Ų | 198 | 132 Ų | 132 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | trans | 54.5 | 145.5 | 152.8 | -61 | 171.8 | -24.1 | 0 | 0 | 119.4 | ||||
| 226 | G | 26.7 | Very low | 30 | Very low | 73 Ų | 73 | 131.9 Ų | 131.9 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | cis | 142.9 | 148.1 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 227 | S | 27.3 | Very low | 30.6 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | 90.7 | 134.1 | 163.2 | -147.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 228 | V | 28.3 | Very low | 30.7 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | 53.3 | 165 | 157.1 | -64.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 229 | D | 31.7 | Very low | 30.7 | Very low | 147 Ų | 147 | 135 Ų | 135 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | -173.9 | 166.1 | -56.2 | -138.2 | -49.2 | 0 | 0 | 0 | 110.6 | |||||
| 230 | E | 34.6 | Very low | 30.7 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | trans | 72 | 157.7 | 151.3 | -118.4 | -167.8 | 84.5 | 0 | 0 | 125.3 | ||||
| 231 | M | 32.8 | Very low | 30.7 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | trans | 70.6 | 126.8 | 173.6 | -64.3 | -172.8 | -72.9 | 0 | 0 | 119.3 | ||||
| 232 | L | 35.6 | Very low | 30.6 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | cis | 120.9 | 160 | 1.4 | -71.6 | 175.3 | 0 | 0 | 0 | 115 | ||||
| 233 | N | 30.9 | Very low | 30.4 | Very low | 151 Ų | 151 | 130.8 Ų | 130.8 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | 79.2 | 119.7 | -173.9 | -51.5 | -20.5 | 0 | 0 | 0 | 113.3 | ||||
| 234 | D | 28.2 | Very low | 30.8 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | cis | 70.7 | 125.6 | 28.9 | -160 | -95.2 | 0 | 0 | 0 | 115.8 | ||||
| 235 | V | 29.2 | Very low | 30.8 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | 172.1 | 119.1 | 132.6 | 151.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 236 | S | 27.2 | Very low | 30.8 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | 57.4 | 148.7 | 145.3 | -63.6 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 237 | L | 40.3 | Very low | 31.2 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -99.9 | 156.5 | 172.3 | -60.8 | 158.5 | 0 | 0 | 0 | 111.7 | ||||
| 238 | N | 28.8 | Very low | 31.5 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -148.1 | 92.9 | 167.9 | 52.4 | 4.5 | 0 | 0 | 0 | 117 | ||||
| 239 | T | 28.7 | Very low | 32 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 77% | 0.767 | 80% | 0.802 | S | S | * | * | trans | 49.1 | 118.6 | 136.2 | 49.9 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 240 | K | 32 | Very low | 32.3 | Very low | 196 Ų | 196 | 142.7 Ų | 142.7 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | 80.8 | 107.2 | 125 | -74.1 | -176.7 | 173.2 | 178.9 | 0 | 123.1 | |||||
| 241 | A | 30.1 | Very low | 32.5 | Very low | 95 Ų | 95 | 147.2 Ų | 147.2 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | 101.7 | 145.3 | 104 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 242 | S | 29.9 | Very low | 32.8 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | 74 | 135.4 | 170 | -142.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 243 | G | 28.9 | Very low | 33 | Very low | 66 Ų | 66 | 145 Ų | 145 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | cis | 153.9 | 98.5 | -12.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 244 | V | 33 | Very low | 33.5 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | trans | -150.7 | 116 | 165.7 | -163.1 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 245 | A | 32.3 | Very low | 34.5 | Very low | 90 Ų | 90 | 145.9 Ų | 145.9 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | 51.7 | 139.5 | 82 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 246 | V | 30.8 | Very low | 34.9 | Very low | 135 Ų | 135 | 148.3 Ų | 148.3 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | cis | -131.1 | 168 | 8.7 | -160.5 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 247 | Q | 35.6 | Very low | 35.7 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | cis | -156.7 | -158.1 | 31.1 | -163.4 | 164.9 | -3.3 | 0 | 0 | 110 | ||||
| 248 | M | 32.8 | Very low | 35.4 | Very low | 176 Ų | 176 | 145.4 Ų | 145.4 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -136.8 | 159.5 | 172.1 | -65.6 | -178.9 | 176.6 | 0 | 0 | 110.9 | ||||
| 249 | M | 37.7 | Very low | 36.4 | Very low | 190 Ų | 190 | 145.6 Ų | 145.6 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | trans | -140.7 | 143.5 | 152.8 | -162.9 | 71.3 | 130.3 | 0 | 0 | 108 | ||||
| 250 | Q | 38.2 | Very low | 37 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -78.7 | 148.8 | -167 | -72.3 | 170.6 | -31.3 | 0 | 0 | 113.9 | ||||
| 251 | R | 39.8 | Very low | 37.4 | Very low | 243 Ų | 243 | 141.3 Ų | 141.3 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | -100.6 | 104.6 | 163.5 | 174.4 | -166.4 | -77.8 | 172.9 | -6.2 | 108 | ||||
| 252 | E | 38.6 | Very low | 37.9 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | -94.5 | 140.1 | 165 | -67.4 | -164.2 | 117.1 | 0 | 0 | 110.5 | ||||
| 253 | A | 40.6 | Very low | 38.4 | Very low | 89 Ų | 89 | 144 Ų | 144 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -112.3 | 88 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q255 | A253-Q255 PolarHBondContact O-N 3.07Š| ||
| 254 | T | 40.1 | Very low | 38.7 | Very low | 146 Ų | 146 | 145.7 Ų | 145.7 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | trans | -68.6 | 121.3 | 175.8 | -35.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 255 | Q | 49.8 | Very low | 38.7 | Very low | 169 Ų | 169 | 147.1 Ų | 147.1 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -78 | 134.3 | -166.6 | -61.6 | 172 | 12.4 | 0 | 0 | 112.3 | A253 V257 | A253-Q255 PolarHBondContact O-N 3.07Å; Q255-V257 PolarHBondContact O-N 3.39Å | ||
| 256 | M | 37.2 | Very low | 38.7 | Very low | 173 Ų | 173 | 150.6 Ų | 150.6 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | trans | -73.8 | 110 | 170 | 176.1 | -176 | -77.6 | 0 | 0 | 109.7 | ||||
| 257 | V | 45.2 | Very low | 38.9 | Very low | 120 Ų | 120 | 152 Ų | 152 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -95.5 | 99.6 | 170.9 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | Q255 I259 | Q255-V257 PolarHBondContact O-N 3.39Å; V257-I259 PolarHBondContact O-N 3.47Å | ||
| 258 | T | 34.5 | Very low | 39.1 | Very low | 102 Ų | 102 | 148.6 Ų | 148.6 | 63% | 0.626 | 79% | 0.789 | S | S | * | * | trans | -76 | 105.5 | 176 | -52.3 | 0 | 0 | 0 | 0 | 110.4 | V260 | T258-V260 HydrophobicContact CG2-CG2 4.34Å; T258-V260 PolarHBondContact O-N 3.11Å | ||
| 259 | I | 48.3 | Very low | 39.2 | Very low | 151 Ų | 151 | 148 Ų | 148 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | trans | -74.7 | 98 | 172 | -58.2 | 178.8 | 0 | 0 | 0 | 108.7 | V257 P261 | V257-I259 PolarHBondContact O-N 3.47Å; I259-P261 WeakPolarHBondContact O-CD 3.44Å | ||
| 260 | V | 42.3 | Very low | 39.5 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 67% | 0.667 | 77% | 0.77 | S | S | * | * | trans | -74.8 | 124.6 | 173.7 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | T258 S262 | T258-V260 HydrophobicContact CG2-CG2 4.34Å; T258-V260 PolarHBondContact O-N 3.11Å; V260-S262 PolarHBondContact O-N 2.87Å | ||
| 261 | P | 39.8 | Very low | 39.4 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -72.5 | 97.8 | 173.4 | -14.9 | 30.4 | 0 | 0 | 0 | 110.4 | I259 Q263 | I259-P261 WeakPolarHBondContact O-CD 3.44Å; P261-Q263 PolarHBondContact O-N 2.8Å | ||
| 262 | S | 40.2 | Very low | 39.2 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -68.4 | 117.8 | 175.8 | 55.4 | 0 | 0 | 0 | 0 | 111 | V260 S264 | V260-S262 PolarHBondContact O-N 2.87Å; S262-S264 PolarHBondContact O-N 2.76Å | ||
| 263 | Q | 40.6 | Very low | 39 | Very low | 174 Ų | 174 | 132.7 Ų | 132.7 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -65.6 | 123.5 | 164.1 | -71.1 | -173.4 | 29 | 0 | 0 | 109.7 | P261 | P261-Q263 PolarHBondContact O-N 2.8Š| ||
| 264 | S | 36.5 | Very low | 39 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -108 | 102 | 161.9 | 57.5 | 0 | 0 | 0 | 0 | 109.1 | S262 | S262-S264 PolarHBondContact O-N 2.76Š| ||
| 265 | Q | 31.4 | Very low | 38.9 | Very low | 169 Ų | 169 | 134.8 Ų | 134.8 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | -69.8 | 134 | 166.9 | -62 | -179.2 | 10.3 | 0 | 0 | 108.8 | ||||
| 266 | L | 33.3 | Very low | 38.6 | Very low | 164 Ų | 164 | 131.9 Ų | 131.9 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | trans | -141.2 | 91.5 | 170.9 | -76.3 | -179.1 | 0 | 0 | 0 | 111.7 | ||||
| 267 | E | 34.6 | Very low | 39.3 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | -157.2 | 148.6 | 150.2 | -106.2 | -72.4 | 92.7 | 0 | 0 | 103.2 | Q269 | E267-Q269 PolarHBondContact OE1-N 3.32Š| ||
| 268 | P | 39.7 | Very low | 39.7 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | cis | -140.8 | 172.8 | 40.5 | 42 | -24.1 | 0 | 0 | 0 | 118 | ||||
| 269 | Q | 36 | Very low | 40.8 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | trans | 124.3 | 147.3 | 133.5 | -81.5 | -115.3 | -61.7 | 0 | 0 | 117.9 | E267 | E267-Q269 PolarHBondContact OE1-N 3.32Š| ||
| 270 | P | 42.8 | Very low | 41.1 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | trans | -106.2 | 167.1 | -157.1 | 41 | -35.1 | 0 | 0 | 0 | 114.7 | ||||
| 271 | L | 35.8 | Very low | 41.8 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -115.7 | 142 | 157.3 | -72.8 | 173.3 | 0 | 0 | 0 | 110.2 | ||||
| 272 | A | 35.3 | Very low | 42.5 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | trans | -79.7 | 143.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 273 | G | 34.4 | Very low | 43 | Very low | 68 Ų | 68 | 139.8 Ų | 139.8 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | -161.6 | 59.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 274 | I | 40.5 | Very low | 43.2 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | 16.6 | 101.7 | 156 | 46.7 | 157 | 0 | 0 | 0 | 119.5 | ||||
| 275 | S | 38.1 | Very low | 43.8 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | -175.4 | 124.3 | 121.7 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | L277 | S275-L277 PolarHBondContact O-N 3.37Š| |||
| 276 | S | 43.8 | Very low | 44.4 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -91.9 | 82.9 | 178.8 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 277 | L | 53.2 | Low | 44.9 | Very low | 157 Ų | 157 | 130.6 Ų | 130.6 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -86.9 | 109 | 167.3 | -64 | -178.3 | 0 | 0 | 0 | 110.1 | S275 | S275-L277 PolarHBondContact O-N 3.37Š| ||
| 278 | Q | 53.4 | Low | 45.5 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -71.7 | 146.8 | 176.2 | -69.5 | -166.7 | -13.4 | 0 | 0 | 111.8 | V280 | Q278-V280 PolarHBondContact O-N 3.3Å; Q278-V280 VanDerWaalsContact O-N 3.15Å | ||
| 279 | P | 56.5 | Low | 45.8 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -69.6 | 109.8 | 175.1 | 28.5 | -33.8 | 0 | 0 | 0 | 110.9 | M281 | P279-M281 PolarHBondContact O-N 3.35Š| ||
| 280 | V | 54.3 | Low | 46.1 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -69.2 | 116.1 | 176.9 | 177 | 0 | 0 | 0 | 0 | 110.4 | Q278 | Q278-V280 PolarHBondContact O-N 3.3Å; Q278-V280 VanDerWaalsContact O-N 3.15Å | ||
| 281 | M | 58 | Low | 46.4 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -84 | 114.5 | 174 | -68 | -121.6 | -69.2 | 0 | 0 | 111.1 | P279 I283 | P279-M281 PolarHBondContact O-N 3.35Å; M281-I283 PolarHBondContact O-N 3.03Å | ||
| 282 | M | 53.7 | Low | 46.9 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -74.5 | 104.1 | 172.7 | -90.2 | -89.9 | -81.4 | 0 | 0 | 110.9 | ||||
| 283 | I | 51 | Low | 47.7 | Very low | 135 Ų | 135 | 133 Ų | 133 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | trans | -100 | 108 | 174.2 | -59 | 175.9 | 0 | 0 | 0 | 109.2 | M281 V285 | M281-I283 PolarHBondContact O-N 3.03Å; I283-V285 PolarHBondContact O-N 3.27Å; I283-V285 VanDerWaalsContact O-N 3.1Å | ||
| 284 | S | 44.7 | Very low | 48 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -75.1 | 95.9 | 174.2 | -57.4 | 0 | 0 | 0 | 0 | 111 | G286 | S284-G286 PolarHBondContact O-N 3.32Š| ||
| 285 | V | 50.1 | Low | 48.2 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -67.8 | 113.2 | 172.4 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | I283 | I283-V285 PolarHBondContact O-N 3.27Å; I283-V285 VanDerWaalsContact O-N 3.1Å | ||
| 286 | G | 43 | Very low | 48.5 | Very low | 62 Ų | 62 | 136.3 Ų | 136.3 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 130.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S284 | S284-G286 PolarHBondContact O-N 3.32Š|
| 287 | A | 44.1 | Very low | 48.9 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 88% | 0.884 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 136.1 | 166 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 288 | K | 47.6 | Very low | 48.2 | Very low | 204 Ų | 204 | 141.3 Ų | 141.3 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 140.1 | -174.7 | -53.2 | 177.4 | -173.2 | 178.7 | 0 | 110.6 | ||
| 289 | S | 46.2 | Very low | 47.9 | Very low | 122 Ų | 122 | 140 Ų | 140 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | -154.4 | 126.1 | 163.6 | -171.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 290 | D | 42.6 | Very low | 47.2 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | trans | -88.8 | 122.9 | -170.6 | -99.3 | -77.7 | 0 | 0 | 0 | 113 | ||||
| 291 | Q | 49.1 | Very low | 46.7 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | 42 | 125.7 | 139.2 | -60 | -176.5 | 78.8 | 0 | 0 | 121 | ||||
| 292 | I | 45.2 | Very low | 46 | Very low | 147 Ų | 147 | 137 Ų | 137 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | -144.6 | 127.5 | 120 | -96.3 | 149.9 | 0 | 0 | 0 | 107.5 | K294 | I292-K294 PolarHBondContact O-N 3.25Š| |||
| 293 | P | 52.1 | Low | 45.6 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 75% | 0.753 | 74% | 0.744 | S | S | * | * | trans | -79.4 | 109.5 | -177.3 | 30.3 | -33.6 | 0 | 0 | 0 | 111.9 | ||||
| 294 | K | 41.5 | Very low | 45.5 | Very low | 182 Ų | 182 | 136.4 Ų | 136.4 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | -99.8 | 121 | 162.7 | -71.5 | -179 | 179.7 | 174.7 | 0 | 109.2 | I292 S296 | I292-K294 PolarHBondContact O-N 3.25Å; K294-S296 PolarHBondContact O-N 3.26Å | ||
| 295 | P | 44.6 | Very low | 45.5 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 83% | 0.831 | 74% | 0.736 | S | S | * | * | trans | -67.5 | 101.6 | 177.3 | 27.1 | -33.1 | 0 | 0 | 0 | 109.6 | Y297 | P295-Y297 PolarHBondContact O-N 3.3Š| ||
| 296 | S | 42.8 | Very low | 45.2 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | trans | -75.2 | 73.5 | -178.3 | -168 | 0 | 0 | 0 | 0 | 111 | K294 K298 | K294-S296 PolarHBondContact O-N 3.26Å; S296-K298 PolarHBondContact O-N 3.07Å | ||
| 297 | Y | 52.9 | Low | 45.9 | Very low | 196 Ų | 196 | 145.9 Ų | 145.9 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | -69.4 | 79.2 | 166.8 | -179.7 | -104.8 | 0 | 0 | 0 | 109.7 | P295 M299 | P295-Y297 PolarHBondContact O-N 3.3Å; Y297-M299 HydrophobicContact CD2-CG 4.49Å; Y297-M299 HydrophobicContact CE2-CB 4.24Å; Y297-M299 HydrophobicContact CE2-CG 3.88Å | ||
| 298 | K | 39.3 | Very low | 46.8 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 76% | 0.761 | 71% | 0.707 | S | S | * | * | trans | -125.2 | 76.3 | 160.5 | -73.7 | -168.8 | 177.1 | -179.8 | 0 | 108.4 | S296 S300 | S296-K298 PolarHBondContact O-N 3.07Å; K298-S300 PolarHBondContact O-N 3.17Å | ||
| 299 | M | 45.5 | Very low | 48 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 68% | 0.675 | 69% | 0.694 | S | S | * | * | trans | -58.3 | 87.1 | 158.5 | -85.4 | -135.4 | 83.6 | 0 | 0 | 108.8 | Y297 V301 | Y297-M299 HydrophobicContact CD2-CG 4.49Å; Y297-M299 HydrophobicContact CE2-CB 4.24Å; Y297-M299 HydrophobicContact CE2-CG 3.88Å; M299-V301 HydrophobicContact CB-CG2 4.34Å; M299-V301 HydrophobicContact CE-CG2 3.72Å; M299-V301 PolarHBondContact O-N 3.41Å; M299-V301 HydrophobicContact SD-CG2 4.42Å | ||
| 300 | S | 43.8 | Very low | 49.8 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 71% | 0.713 | 66% | 0.66 | S | S | * | * | trans | -78 | 49.4 | -179.7 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | K298 K302 | K298-S300 PolarHBondContact O-N 3.17Å; S300-K302 VanDerWaalsContact C-N 3.26Å; S300-K302 PolarHBondContact O-N 3.35Å | ||
| 301 | V | 42.3 | Very low | 51.9 | Low | 83 Ų | 83 | 136.1 Ų | 136.1 | 50% | 0.503 | 66% | 0.657 | S | S | . | * | trans | -65.1 | 90.5 | 172.6 | -177.6 | 0 | 0 | 0 | 0 | 107.8 | M299 T303 | M299-V301 HydrophobicContact CB-CG2 4.34Å; M299-V301 HydrophobicContact CE-CG2 3.72Å; M299-V301 PolarHBondContact O-N 3.41Å; M299-V301 HydrophobicContact SD-CG2 4.42Å; V301-T303 HydrophobicContact CG1-CG2 4.07Å; V301-T303 PolarHBondContact O-N 3.38Å | ||
| 302 | K | 44.4 | Very low | 53.9 | Low | 168 Ų | 168 | 129.2 Ų | 129.2 | 73% | 0.73 | 63% | 0.626 | S | S | * | * | trans | -62.1 | 85.4 | 166.5 | -71.5 | 174.2 | 178.7 | 172.7 | 0 | 107.8 | S300 Y304 | S300-K302 VanDerWaalsContact C-N 3.26Å; S300-K302 PolarHBondContact O-N 3.35Å; K302-Y304 CarbonylContact O-C 3.6Å; K302-Y304 PolarHBondContact O-N 3.46Å | ||
| 303 | T | 45.7 | Very low | 55.8 | Low | 101 Ų | 101 | 127.8 Ų | 127.8 | 62% | 0.62 | 62% | 0.62 | S | S | * | * | trans | -59.5 | -14.6 | 174.9 | 49.9 | 0 | 0 | 0 | 0 | 112.3 | V301 T305 | V301-T303 HydrophobicContact CG1-CG2 4.07Å; V301-T303 PolarHBondContact O-N 3.38Å; T303-T305 PolarHBondContact O-N 2.94Å | ||
| 304 | Y | 47.7 | Very low | 57.4 | Low | 197 Ų | 197 | 125.8 Ų | 125.8 | 77% | 0.773 | 60% | 0.603 | S | S | * | * | trans | -68.3 | 74 | 160.1 | -162.4 | -91.8 | 0 | 0 | 0 | 112.1 | K302 | K302-Y304 CarbonylContact O-C 3.6Å; K302-Y304 PolarHBondContact O-N 3.46Å | ||
| 305 | T | 45 | Very low | 59.6 | Low | 88 Ų | 88 | 123.3 Ų | 123.3 | 54% | 0.54 | 61% | 0.605 | S | S | . | * | trans | -119.6 | 135.8 | 157.8 | 71.3 | 0 | 0 | 0 | 0 | 110.4 | T303 R307 | T303-T305 PolarHBondContact O-N 2.94Å; T305-R307 PolarHBondContact O-N 3.06Å | ||
| 306 | R | 43.7 | Very low | 61.6 | Low | 193 Ų | 193 | 121.6 Ų | 121.6 | 73% | 0.728 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 13.1 | -169.6 | -65.8 | -178.8 | 67.6 | -122.2 | 4.3 | 114.6 | R324 | R306-R324 PolarHBondContact O-NH2 3.32Š|
| 307 | R | 57.7 | Low | 63.8 | Low | 225 Ų | 225 | 117.6 Ų | 117.6 | 85% | 0.849 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -9.4 | -172.7 | -62.4 | -167.9 | -176.6 | -134.5 | 2.4 | 114.8 | T305 R309 | T305-R307 PolarHBondContact O-N 3.06Å; R307-R309 VanDerWaalsContact C-N 3.25Å; R307-R309 PolarHBondContact O-N 3.01Å |
| 308 | G | 62.4 | Low | 65.6 | Low | 15 Ų | 15 | 112.9 Ų | 112.9 | 16% | 0.155 | 58% | 0.578 | C | S | . | * | S | Bend | trans | 68.8 | 19.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V322 T323 | G308-V322 CarbonylContact O-C 3.52Å; G308-V322 VanDerWaalsContact O-C 3.24Å; G308-T323 CarbonylContact O-C 3.46Å; G308-T323 VanDerWaalsContact O-C 3.22Å; G308-T323 PolarHBondContact O-N 3.35Å |
| 309 | R | 72.6 | Confident | 67.9 | Low | 163 Ų | 163 | 106.4 Ų | 106.4 | 62% | 0.615 | 55% | 0.55 | S | S | * | . | trans | -125.6 | 140.6 | 164.7 | -59.1 | -170.7 | 179.9 | -123.4 | 3.7 | 107.8 | R307 V320 Y321 | R307-R309 VanDerWaalsContact C-N 3.25Å; R307-R309 PolarHBondContact O-N 3.01Å; R309-V320 HydrophobicContact CB-CG1 4.06Å; R309-Y321 VanDerWaalsContact CA-O 3.26Å; R309-Y321 WeakPolarHBondContact CA-O 3.29Å | ||
| 310 | G | 84.6 | Confident | 69.9 | Low | 14 Ų | 14 | 102.1 Ų | 102.1 | 14% | 0.144 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 154.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | V320 Y321 | G310-V320 CarbonylContact O-C 3.22Å; G310-V320 VanDerWaalsContact O-CA 3.29Å; G310-V320 WeakPolarHBondContact O-CA 3.3Å; G310-V320 WeakPolarHBondContact O-CG1 3.5Å; G310-Y321 VanDerWaalsContact C-CE1 3.41Å; G310-Y321 PolarHBondContact N-O 3.23Å; G310-Y321 VanDerWaalsContact N-O 3.09Å; G310-Y321 WeakPolarHBondContact O-CD1 3.47Å; G310-Y321 WeakPolarHBondContact O-CE1 3.46Å; G310-Y321 PolarHBondContact O-N 3.46Å |
| 311 | R | 87.5 | Confident | 71.8 | Confident | 166 Ų | 166 | 98.5 Ų | 98.5 | 63% | 0.626 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 164.7 | -176.8 | -60.1 | -163.7 | 177.3 | -98.7 | 6 | 112.2 | S318 F319 V320 | R311-S318 PolarHBondContact NH1-O 3.07Å; R311-F319 CarbonylContact C-O 3.48Å; R311-F319 VanDerWaalsContact CA-O 3.25Å; R311-F319 WeakPolarHBondContact CA-O 3.37Å; R311-V320 HydrophobicContact CG-CG1 4.48Å; R311-V320 HydrophobicContact CG-CG2 4.16Å |
| 312 | C | 89.5 | Confident | 73.5 | Confident | 12 Ų | 12 | 98.7 Ų | 98.7 | 8% | 0.081 | 50% | 0.503 | C | S | . | . | trans | -59.9 | 161.6 | 160.6 | -164.5 | 0 | 0 | 0 | 0 | 111.4 | N314 C317 F319 S335 | C312-N314 PolarHBondContact SG-N 3.4Å; C312-C317 HydrophobicContact CB-CB 3.92Å; C312-C317 VanDerWaalsContact CB-SG 3.55Å; C312-C317 VanDerWaalsContact SG-SG 3.65Å; C312-F319 HydrophobicContact CB-CB 4.18Å; C312-F319 PolarHBondContact N-O 3.03Å; C312-S335 PolarHBondContact SG-OG 3.47Å | ||
| 313 | L | 85.9 | Confident | 74.8 | Confident | 117 Ų | 117 | 92.5 Ų | 92.5 | 61% | 0.613 | 48% | 0.48 | S | S | * | . | trans | -110.7 | -8.3 | 175.5 | -63 | 179.4 | 0 | 0 | 0 | 113.3 | ||||
| 314 | N | 85.7 | Confident | 76 | Confident | 74 Ų | 74 | 94.9 Ų | 94.9 | 40% | 0.396 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -70.8 | 132 | 174.6 | -87 | 26.2 | 0 | 0 | 0 | 110.5 | C312 G316 C317 S335 | C312-N314 PolarHBondContact SG-N 3.4Å; N314-G316 PolarHBondContact O-N 3.34Å; N314-C317 HydrophobicContact CB-CB 4.06Å; N314-C317 PolarHBondContact O-N 3.15Å; N314-C317 VanDerWaalsContact O-N 3.11Å; N314-S335 WeakPolarHBondContact OD1-CB 2.93Å |
| 315 | P | 86.9 | Confident | 77.5 | Confident | 129 Ų | 129 | 91.2 Ų | 91.2 | 84% | 0.838 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 137.9 | 166 | 27.1 | -33.4 | 0 | 0 | 0 | 109.3 | ||
| 316 | G | 87.4 | Confident | 79.4 | Confident | 92 Ų | 92 | 89.9 Ų | 89.9 | 95% | 0.948 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -13.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | N314 | N314-G316 PolarHBondContact O-N 3.34Š|
| 317 | C | 90.1 | Very high | 81.4 | Confident | 22 Ų | 22 | 81 Ų | 81 | 15% | 0.149 | 42% | 0.421 | C | S | . | . | trans | -99.8 | 115.6 | 179 | -174.5 | 0 | 0 | 0 | 0 | 113.2 | C312 N314 C333 | C312-C317 HydrophobicContact CB-CB 3.92Å; C312-C317 VanDerWaalsContact CB-SG 3.55Å; C312-C317 VanDerWaalsContact SG-SG 3.65Å; N314-C317 HydrophobicContact CB-CB 4.06Å; N314-C317 PolarHBondContact O-N 3.15Å; N314-C317 VanDerWaalsContact O-N 3.11Å; C317-C333 HydrophobicContact CB-CB 4.03Å; C317-C333 VanDerWaalsContact CB-SG 3.52Å; C317-C333 PolarHBondContact SG-SG 3.34Å | ||
| 318 | S | 89.2 | Confident | 82.9 | Confident | 97 Ų | 97 | 72.7 Ų | 72.7 | 68% | 0.678 | 40% | 0.396 | S | S | * | . | trans | -83.6 | -9.8 | -178.5 | 61.4 | 0 | 0 | 0 | 0 | 114.9 | R311 V320 | R311-S318 PolarHBondContact NH1-O 3.07Å; S318-V320 WeakPolarHBondContact O-CG2 3.44Å | ||
| 319 | F | 87.9 | Confident | 84.3 | Confident | 40 Ų | 40 | 75.1 Ų | 75.1 | 18% | 0.175 | 41% | 0.408 | C | S | . | . | trans | -49 | 140.5 | -169.8 | 178.1 | -107.2 | 0 | 0 | 0 | 114.4 | R311 C312 Y321 C330 P331 E332 | R311-F319 CarbonylContact C-O 3.48Å; R311-F319 VanDerWaalsContact CA-O 3.25Å; R311-F319 WeakPolarHBondContact CA-O 3.37Å; C312-F319 HydrophobicContact CB-CB 4.18Å; C312-F319 PolarHBondContact N-O 3.03Å; F319-Y321 HydrophobicContact CE1-CD1 4.14Å; F319-C330 VanDerWaalsContact CB-SG 3.56Å; F319-C330 VanDerWaalsContact CD1-SG 3.53Å; F319-P331 HydrophobicContact CD1-CG 4.48Å; F319-P331 HydrophobicContact CD2-CG 3.88Å; F319-P331 HydrophobicContact CE1-CG 4.04Å; F319-P331 HydrophobicContact CE2-CG 3.38Å; F319-P331 HydrophobicContact CG-CG 4.41Å; F319-P331 HydrophobicContact CZ-CG 3.47Å; F319-P331 VanDerWaalsContact CZ-CG 3.47Å; F319-E332 HydrophobicContact CB-CB 4.3Å; F319-E332 HydrophobicContact CB-CG 3.62Å; F319-E332 HydrophobicContact CD2-CG 3.57Å; F319-E332 HydrophobicContact CG-CG 3.88Å | ||
| 320 | V | 88.4 | Confident | 85.1 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 29% | 0.285 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 111 | 177.5 | -164.5 | 0 | 0 | 0 | 0 | 110.6 | R309 G310 R311 S318 | R309-V320 HydrophobicContact CB-CG1 4.06Å; G310-V320 CarbonylContact O-C 3.22Å; G310-V320 VanDerWaalsContact O-CA 3.29Å; G310-V320 WeakPolarHBondContact O-CA 3.3Å; G310-V320 WeakPolarHBondContact O-CG1 3.5Å; R311-V320 HydrophobicContact CG-CG1 4.48Å; R311-V320 HydrophobicContact CG-CG2 4.16Å; S318-V320 WeakPolarHBondContact O-CG2 3.44Å |
| 321 | Y | 83.5 | Confident | 85.3 | Confident | 25 Ų | 25 | 70.8 Ų | 70.8 | 10% | 0.098 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 130.7 | 169.5 | 53.1 | -86.7 | 0 | 0 | 0 | 109.8 | R309 G310 F319 T323 K326 P327 L337 | R309-Y321 VanDerWaalsContact CA-O 3.26Å; R309-Y321 WeakPolarHBondContact CA-O 3.29Å; G310-Y321 VanDerWaalsContact C-CE1 3.41Å; G310-Y321 PolarHBondContact N-O 3.23Å; G310-Y321 VanDerWaalsContact N-O 3.09Å; G310-Y321 WeakPolarHBondContact O-CD1 3.47Å; G310-Y321 WeakPolarHBondContact O-CE1 3.46Å; G310-Y321 PolarHBondContact O-N 3.46Å; F319-Y321 HydrophobicContact CE1-CD1 4.14Å; Y321-T323 WeakPolarHBondContact CD2-O 3.34Å; Y321-K326 HydrophobicContact CE1-CG 3.93Å; Y321-K326 HydrophobicContact CE2-CB 4.07Å; Y321-K326 HydrophobicContact CE2-CG 4.13Å; Y321-P327 HydrophobicContact CD1-CG 4.34Å; Y321-P327 HydrophobicContact CG-CG 4.39Å; Y321-L337 HydrophobicContact CD1-CD1 4.44Å; Y321-L337 HydrophobicContact CE1-CD1 4.48Å |
| 322 | V | 77.7 | Confident | 85.2 | Confident | 87 Ų | 87 | 69.3 Ų | 69.3 | 53% | 0.527 | 40% | 0.399 | S | S | . | . | trans | -92.1 | 1.5 | -171.3 | -173.2 | 0 | 0 | 0 | 0 | 112.7 | G308 | G308-V322 CarbonylContact O-C 3.52Å; G308-V322 VanDerWaalsContact O-C 3.24Å | ||
| 323 | T | 71.7 | Confident | 85.3 | Confident | 38 Ų | 38 | 71 Ų | 71 | 23% | 0.233 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -105.4 | 157.4 | -178.4 | 50 | 0 | 0 | 0 | 0 | 112.1 | G308 Y321 H325 W341 | G308-T323 CarbonylContact O-C 3.46Å; G308-T323 VanDerWaalsContact O-C 3.22Å; G308-T323 PolarHBondContact O-N 3.35Å; Y321-T323 WeakPolarHBondContact CD2-O 3.34Å; T323-H325 PolarHBondContact O-N 2.75Å; T323-H325 PolarHBondContact OG1-O 3.04Å; T323-H325 VanDerWaalsContact OG1-O 3.1Å; T323-W341 HydrophobicContact CG2-CE3 4.5Å; T323-W341 HydrophobicContact CG2-CH2 3.59Å; T323-W341 HydrophobicContact CG2-CZ2 3.62Å; T323-W341 HydrophobicContact CG2-CZ3 4.05Å; T323-W341 VanDerWaalsContact OG1-CE3 3.31Å; T323-W341 VanDerWaalsContact OG1-CZ3 3.29Å; T323-W341 WeakPolarHBondContact OG1-CZ3 3.44Å |
| 324 | R | 71 | Confident | 85.4 | Confident | 151 Ų | 151 | 67.6 Ų | 67.6 | 57% | 0.57 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -65.9 | -17.8 | 171.2 | -73.4 | -177.3 | 176.2 | -85.4 | -21.5 | 113.5 | R306 | R306-R324 PolarHBondContact O-NH2 3.32Š|
| 325 | H | 79.3 | Confident | 85.6 | Confident | 121 Ų | 121 | 64.5 Ų | 64.5 | 56% | 0.56 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -103.8 | 113.1 | -175.2 | -50.5 | -90.1 | 0 | 0 | 0 | 108.4 | T323 W341 | T323-H325 PolarHBondContact O-N 2.75Å; T323-H325 PolarHBondContact OG1-O 3.04Å; T323-H325 VanDerWaalsContact OG1-O 3.1Å; H325-W341 HydrophobicContact CB-CB 3.45Å; H325-W341 VanDerWaalsContact CB-CB 3.45Å; H325-W341 HydrophobicContact CB-CD2 4.45Å; H325-W341 HydrophobicContact CB-CG 3.66Å |
| 326 | K | 83.9 | Confident | 85.8 | Confident | 60 Ų | 60 | 66.7 Ų | 66.7 | 26% | 0.261 | 39% | 0.386 | S | S | . | . | trans | -59.7 | 138.7 | 176.5 | -164.8 | 169.8 | -166.5 | -148.8 | 0 | 109.5 | Y321 L337 G339 K340 W341 | Y321-K326 HydrophobicContact CE1-CG 3.93Å; Y321-K326 HydrophobicContact CE2-CB 4.07Å; Y321-K326 HydrophobicContact CE2-CG 4.13Å; K326-L337 HydrophobicContact CD-CB 4.43Å; K326-L337 WeakPolarHBondContact CD-O 3.34Å; K326-L337 WeakPolarHBondContact CE-O 3.28Å; K326-L337 HydrophobicContact CG-CB 4.17Å; K326-L337 PolarHBondContact NZ-O 3.42Å; K326-G339 VanDerWaalsContact O-CA 3.22Å; K326-G339 WeakPolarHBondContact O-CA 3.26Å; K326-K340 PolarHBondContact O-N 3.15Å; K326-W341 PolarHBondContact O-N 3.11Å | ||
| 327 | P | 87 | Confident | 85.7 | Confident | 6 Ų | 6 | 62.6 Ų | 62.6 | 4% | 0.039 | 34% | 0.342 | C | S | . | . | trans | -75.6 | 162 | 172.2 | 30.9 | -34.1 | 0 | 0 | 0 | 112 | Y321 T329 L337 G339 W341 | Y321-P327 HydrophobicContact CD1-CG 4.34Å; Y321-P327 HydrophobicContact CG-CG 4.39Å; P327-T329 WeakPolarHBondContact CB-O 3.48Å; P327-T329 WeakPolarHBondContact CG-O 3.01Å; P327-L337 HydrophobicContact CG-CD1 3.95Å; P327-L337 VanDerWaalsContact O-CB 3.29Å; P327-L337 WeakPolarHBondContact O-CB 3.47Å; P327-G339 VanDerWaalsContact O-CA 3.29Å; P327-G339 WeakPolarHBondContact O-CA 3.3Å; P327-G339 PolarHBondContact O-N 3.44Å; P327-W341 VanDerWaalsContact CA-O 3.22Å; P327-W341 WeakPolarHBondContact CA-O 3.49Å; P327-W341 HydrophobicContact CB-CE3 4.46Å; P327-W341 WeakPolarHBondContact CB-O 3.37Å | ||
| 328 | P | 89.6 | Confident | 85.4 | Confident | 51 Ų | 51 | 65 Ų | 65 | 33% | 0.331 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -66.2 | -41.7 | 178.5 | 25.9 | -33.5 | 0 | 0 | 0 | 112.3 | L337 G338 G339 W341 | P328-L337 CarbonylContact O-C 3.47Å; P328-L337 WeakPolarHBondContact O-CA 3.39Å; P328-L337 PolarHBondContact O-N 3.29Å; P328-G338 PolarHBondContact O-N 2.97Å; P328-G339 VanDerWaalsContact CA-O 3.31Å; P328-G339 WeakPolarHBondContact CA-O 3.41Å; P328-G339 WeakPolarHBondContact CB-O 3.48Å; P328-W341 VanDerWaalsContact CD-O 3.27Å; P328-W341 WeakPolarHBondContact CD-O 3.3Å |
| 329 | T | 90.2 | Very high | 85.2 | Confident | 65 Ų | 65 | 61.2 Ų | 61.2 | 40% | 0.399 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -127.8 | 162.8 | 176.5 | 47 | 0 | 0 | 0 | 0 | 110.7 | P327 G334 S335 | P327-T329 WeakPolarHBondContact CB-O 3.48Å; P327-T329 WeakPolarHBondContact CG-O 3.01Å; T329-G334 WeakPolarHBondContact CB-O 3.36Å; T329-G334 WeakPolarHBondContact CG2-O 3.42Å; T329-S335 CarbonylContact C-O 3.51Å; T329-S335 VanDerWaalsContact CA-O 3.23Å; T329-S335 WeakPolarHBondContact CA-O 3.47Å |
| 330 | C | 90.2 | Very high | 84.8 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.007 | 38% | 0.381 | C | S | . | . | trans | -82.4 | 130.2 | 168.8 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | F319 G334 S335 L337 | F319-C330 VanDerWaalsContact CB-SG 3.56Å; F319-C330 VanDerWaalsContact CD1-SG 3.53Å; C330-G334 VanDerWaalsContact O-CA 3.28Å; C330-G334 WeakPolarHBondContact O-CA 3.44Å; C330-G334 PolarHBondContact O-N 3.34Å; C330-S335 WeakPolarHBondContact CB-OG 3.39Å; C330-S335 PolarHBondContact N-O 3.46Å; C330-L337 HydrophobicContact CB-CD1 3.79Å; C330-L337 HydrophobicContact CB-CG 4.19Å | ||
| 331 | P | 88.3 | Confident | 84.5 | Confident | 85 Ų | 85 | 70.8 Ų | 70.8 | 55% | 0.552 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -34.3 | 178.5 | 27.9 | -34.3 | 0 | 0 | 0 | 112.9 | F319 | F319-P331 HydrophobicContact CD1-CG 4.48Å; F319-P331 HydrophobicContact CD2-CG 3.88Å; F319-P331 HydrophobicContact CE1-CG 4.04Å; F319-P331 HydrophobicContact CE2-CG 3.38Å; F319-P331 HydrophobicContact CG-CG 4.41Å; F319-P331 HydrophobicContact CZ-CG 3.47Å; F319-P331 VanDerWaalsContact CZ-CG 3.47Å |
| 332 | E | 86.6 | Confident | 84.1 | Confident | 135 Ų | 135 | 75.8 Ų | 75.8 | 63% | 0.631 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -27.7 | -176.8 | -50.1 | -58 | 142.2 | 0 | 0 | 113.8 | F319 | F319-E332 HydrophobicContact CB-CB 4.3Å; F319-E332 HydrophobicContact CB-CG 3.62Å; F319-E332 HydrophobicContact CD2-CG 3.57Å; F319-E332 HydrophobicContact CG-CG 3.88Å |
| 333 | C | 91.3 | Very high | 83.7 | Confident | 48 Ų | 48 | 74.8 Ų | 74.8 | 32% | 0.324 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.2 | 15.7 | -169.4 | 79.9 | 0 | 0 | 0 | 0 | 114.9 | C317 S335 | C317-C333 HydrophobicContact CB-CB 4.03Å; C317-C333 VanDerWaalsContact CB-SG 3.52Å; C317-C333 PolarHBondContact SG-SG 3.34Å; C333-S335 PolarHBondContact O-N 2.83Å |
| 334 | G | 88.5 | Confident | 83.4 | Confident | 45 Ų | 45 | 77.6 Ų | 77.6 | 46% | 0.464 | 43% | 0.432 | S | S | . | . | trans | 68.2 | -20.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117 | T329 C330 H336 | T329-G334 WeakPolarHBondContact CB-O 3.36Å; T329-G334 WeakPolarHBondContact CG2-O 3.42Å; C330-G334 VanDerWaalsContact O-CA 3.28Å; C330-G334 WeakPolarHBondContact O-CA 3.44Å; C330-G334 PolarHBondContact O-N 3.34Å; G334-H336 PolarHBondContact O-N 3.43Å | ||
| 335 | S | 89.8 | Confident | 83.2 | Confident | 10 Ų | 10 | 76.8 Ų | 76.8 | 7% | 0.07 | 44% | 0.443 | C | S | . | . | trans | -47 | 135.8 | -167.1 | 73.7 | 0 | 0 | 0 | 0 | 114.1 | C312 N314 T329 C330 C333 L337 | C312-S335 PolarHBondContact SG-OG 3.47Å; N314-S335 WeakPolarHBondContact OD1-CB 2.93Å; T329-S335 CarbonylContact C-O 3.51Å; T329-S335 VanDerWaalsContact CA-O 3.23Å; T329-S335 WeakPolarHBondContact CA-O 3.47Å; C330-S335 WeakPolarHBondContact CB-OG 3.39Å; C330-S335 PolarHBondContact N-O 3.46Å; C333-S335 PolarHBondContact O-N 2.83Å; S335-L337 PolarHBondContact O-N 3.45Å | ||
| 336 | H | 89.6 | Confident | 81.4 | Confident | 175 Ų | 175 | 80.6 Ų | 80.6 | 81% | 0.81 | 46% | 0.459 | S | S | * | . | B | Isolated β-bridge | trans | -64.9 | 106.9 | 175 | -48.7 | -65.7 | 0 | 0 | 0 | 110.7 | G334 | G334-H336 PolarHBondContact O-N 3.43Å |
| 337 | L | 86.1 | Confident | 79.4 | Confident | 5 Ų | 5 | 81.9 Ų | 81.9 | 3% | 0.026 | 48% | 0.48 | C | S | . | . | trans | -93.6 | -13.9 | 177.5 | -71.9 | -176.4 | 0 | 0 | 0 | 112 | Y321 K326 P327 P328 C330 S335 G339 | Y321-L337 HydrophobicContact CD1-CD1 4.44Å; Y321-L337 HydrophobicContact CE1-CD1 4.48Å; K326-L337 HydrophobicContact CD-CB 4.43Å; K326-L337 WeakPolarHBondContact CD-O 3.34Å; K326-L337 WeakPolarHBondContact CE-O 3.28Å; K326-L337 HydrophobicContact CG-CB 4.17Å; K326-L337 PolarHBondContact NZ-O 3.42Å; P327-L337 HydrophobicContact CG-CD1 3.95Å; P327-L337 VanDerWaalsContact O-CB 3.29Å; P327-L337 WeakPolarHBondContact O-CB 3.47Å; P328-L337 CarbonylContact O-C 3.47Å; P328-L337 WeakPolarHBondContact O-CA 3.39Å; P328-L337 PolarHBondContact O-N 3.29Å; C330-L337 HydrophobicContact CB-CD1 3.79Å; C330-L337 HydrophobicContact CB-CG 4.19Å; S335-L337 PolarHBondContact O-N 3.45Å; L337-G339 PolarHBondContact O-N 2.98Å | ||
| 338 | G | 83.8 | Confident | 76.9 | Confident | 72 Ų | 72 | 91.1 Ų | 91.1 | 74% | 0.742 | 52% | 0.52 | S | S | * | . | trans | 71.6 | 12.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P328 | P328-G338 PolarHBondContact O-N 2.97Š| ||
| 339 | G | 85.5 | Confident | 74.4 | Confident | 18 Ų | 18 | 99.2 Ų | 99.2 | 19% | 0.186 | 54% | 0.544 | C | S | . | . | trans | -82.4 | -176.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K326 P327 P328 L337 | K326-G339 VanDerWaalsContact O-CA 3.22Å; K326-G339 WeakPolarHBondContact O-CA 3.26Å; P327-G339 VanDerWaalsContact O-CA 3.29Å; P327-G339 WeakPolarHBondContact O-CA 3.3Å; P327-G339 PolarHBondContact O-N 3.44Å; P328-G339 VanDerWaalsContact CA-O 3.31Å; P328-G339 WeakPolarHBondContact CA-O 3.41Å; P328-G339 WeakPolarHBondContact CB-O 3.48Å; L337-G339 PolarHBondContact O-N 2.98Å | ||
| 340 | K | 79.8 | Confident | 71.8 | Confident | 203 Ų | 203 | 101.3 Ų | 101.3 | 88% | 0.883 | 56% | 0.556 | S | S | * | * | trans | -124.3 | 3 | 177.1 | -71.9 | -169.6 | -109.6 | -75.9 | 0 | 113.6 | K326 | K326-K340 PolarHBondContact O-N 3.15Š| ||
| 341 | W | 81.5 | Confident | 69.3 | Low | 85 Ų | 85 | 109.3 Ų | 109.3 | 32% | 0.322 | 59% | 0.594 | S | S | . | * | trans | -94.4 | 111.3 | -173.9 | -178.7 | 74.5 | 0 | 0 | 0 | 112.2 | T323 H325 K326 P327 P328 P343 | T323-W341 HydrophobicContact CG2-CE3 4.5Å; T323-W341 HydrophobicContact CG2-CH2 3.59Å; T323-W341 HydrophobicContact CG2-CZ2 3.62Å; T323-W341 HydrophobicContact CG2-CZ3 4.05Å; T323-W341 VanDerWaalsContact OG1-CE3 3.31Å; T323-W341 VanDerWaalsContact OG1-CZ3 3.29Å; T323-W341 WeakPolarHBondContact OG1-CZ3 3.44Å; H325-W341 HydrophobicContact CB-CB 3.45Å; H325-W341 VanDerWaalsContact CB-CB 3.45Å; H325-W341 HydrophobicContact CB-CD2 4.45Å; H325-W341 HydrophobicContact CB-CG 3.66Å; K326-W341 PolarHBondContact O-N 3.11Å; P327-W341 VanDerWaalsContact CA-O 3.22Å; P327-W341 WeakPolarHBondContact CA-O 3.49Å; P327-W341 HydrophobicContact CB-CE3 4.46Å; P327-W341 WeakPolarHBondContact CB-O 3.37Å; P328-W341 VanDerWaalsContact CD-O 3.27Å; P328-W341 WeakPolarHBondContact CD-O 3.3Å; W341-P343 HydrophobicContact CE3-CG 4.36Å; W341-P343 HydrophobicContact CH2-CB 3.92Å; W341-P343 HydrophobicContact CH2-CG 4.03Å; W341-P343 HydrophobicContact CZ2-CB 4.47Å; W341-P343 HydrophobicContact CZ3-CB 4.2Å; W341-P343 HydrophobicContact CZ3-CG 3.78Å | ||
| 342 | I | 74.8 | Confident | 66.8 | Low | 131 Ų | 131 | 112 Ų | 112 | 67% | 0.672 | 60% | 0.603 | S | S | * | * | trans | -88.1 | 127 | 172.6 | -57.6 | 173.4 | 0 | 0 | 0 | 107.4 | A344 | I342-A344 PolarHBondContact O-N 3Š| ||
| 343 | P | 68.4 | Low | 64.5 | Low | 66 Ų | 66 | 115.8 Ų | 115.8 | 43% | 0.429 | 62% | 0.618 | S | S | . | * | trans | -59.4 | 133.3 | 171.6 | -19.8 | 31 | 0 | 0 | 0 | 110.3 | W341 V345 | W341-P343 HydrophobicContact CE3-CG 4.36Å; W341-P343 HydrophobicContact CH2-CB 3.92Å; W341-P343 HydrophobicContact CH2-CG 4.03Å; W341-P343 HydrophobicContact CZ2-CB 4.47Å; W341-P343 HydrophobicContact CZ3-CB 4.2Å; W341-P343 HydrophobicContact CZ3-CG 3.78Å; P343-V345 PolarHBondContact O-N 3.36Å | ||
| 344 | A | 66.6 | Low | 61.7 | Low | 96 Ų | 96 | 118.5 Ų | 118.5 | 79% | 0.793 | 64% | 0.644 | S | S | * | * | trans | -66.9 | 100.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | I342 K346 | I342-A344 PolarHBondContact O-N 3Å; A344-K346 PolarHBondContact O-N 2.81Å | ||
| 345 | V | 65.9 | Low | 59.1 | Low | 134 Ų | 134 | 120.4 Ų | 120.4 | 81% | 0.812 | 66% | 0.663 | S | S | * | * | trans | -61.6 | 105.1 | 176.2 | -75.1 | 0 | 0 | 0 | 0 | 108.9 | P343 A347 | P343-V345 PolarHBondContact O-N 3.36Å; V345-A347 PolarHBondContact O-N 3.15Å | ||
| 346 | K | 42 | Very low | 56.3 | Low | 202 Ų | 202 | 124.5 Ų | 124.5 | 88% | 0.878 | 70% | 0.698 | S | S | * | * | trans | -77.5 | 76.8 | -177.7 | -163.1 | 176.6 | -173.7 | -177.6 | 0 | 108.9 | A344 K348 | A344-K346 PolarHBondContact O-N 2.81Å; K346-K348 PolarHBondContact O-N 2.98Å | ||
| 347 | A | 41.6 | Very low | 53.7 | Low | 86 Ų | 86 | 122.1 Ų | 122.1 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | trans | -54.1 | 108.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V345 R349 | V345-A347 PolarHBondContact O-N 3.15Å; A347-R349 PolarHBondContact O-N 3.26Å | ||
| 348 | K | 36.1 | Very low | 51.3 | Low | 200 Ų | 200 | 132.8 Ų | 132.8 | 87% | 0.87 | 74% | 0.741 | S | S | * | * | trans | -66.5 | 103 | 164.9 | -75.1 | -174.5 | 174.2 | -175.3 | 0 | 107 | K346 T350 | K346-K348 PolarHBondContact O-N 2.98Å; K348-T350 VanDerWaalsContact C-N 3.27Å; K348-T350 PolarHBondContact O-N 3.31Å | ||
| 349 | R | 36.2 | Very low | 48.9 | Very low | 222 Ų | 222 | 137 Ų | 137 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | trans | -71.5 | 87.1 | 164.1 | -84.9 | -171.2 | 169.1 | -170.3 | -2.6 | 108.7 | A347 Q351 | A347-R349 PolarHBondContact O-N 3.26Å; R349-Q351 PolarHBondContact O-N 3.11Å | ||
| 350 | T | 34.9 | Very low | 46.4 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | trans | -71.3 | 114.8 | 150.3 | -42.7 | 0 | 0 | 0 | 0 | 106 | K348 D352 | K348-T350 VanDerWaalsContact C-N 3.27Å; K348-T350 PolarHBondContact O-N 3.31Å; T350-D352 WeakPolarHBondContact CG2-OD2 3.41Å; T350-D352 PolarHBondContact O-N 3.14Å | ||
| 351 | Q | 37.5 | Very low | 44.1 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | -92 | 79.3 | 173.2 | -81.1 | -163.7 | -86.4 | 0 | 0 | 109.7 | R349 | R349-Q351 PolarHBondContact O-N 3.11Š| ||
| 352 | D | 35.9 | Very low | 41.9 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -78.4 | 134.5 | 162.4 | -69.7 | -61.4 | 0 | 0 | 0 | 109.7 | T350 | T350-D352 WeakPolarHBondContact CG2-OD2 3.41Å; T350-D352 PolarHBondContact O-N 3.14Å | ||
| 353 | K | 37.9 | Very low | 40 | Very low | 214 Ų | 214 | 143.4 Ų | 143.4 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | -107.4 | 89.1 | -163.6 | -177.7 | -172.2 | 174.7 | -173.7 | 0 | 110.3 | ||||
| 354 | A | 33.7 | Very low | 38.5 | Very low | 106 Ų | 106 | 148.7 Ų | 148.7 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | trans | -119.1 | 134.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 355 | G | 32.6 | Very low | 36.9 | Very low | 84 Ų | 84 | 149.5 Ų | 149.5 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | trans | -126 | 126 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 356 | A | 32.1 | Very low | 35.3 | Very low | 96 Ų | 96 | 149.4 Ų | 149.4 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | -146.1 | 113.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 357 | S | 35.1 | Very low | 34.8 | Very low | 125 Ų | 125 | 146 Ų | 146 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | 73 | 137.5 | 79.9 | -160.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 358 | R | 35.7 | Very low | 34.2 | Very low | 230 Ų | 230 | 147 Ų | 147 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | -73.5 | 151.8 | -173.6 | -60.9 | 175.6 | 175.6 | -174.6 | -1.9 | 111.2 | ||||
| 359 | L | 32.5 | Very low | 34.3 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | -153.6 | 137.4 | 126.5 | -116.7 | 148.7 | 0 | 0 | 0 | 111.6 | T361 | L359-T361 HydrophobicContact CD2-CG2 4.19Š| |||
| 360 | T | 33.8 | Very low | 34.2 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -115.6 | 123.1 | 174.5 | 45.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 361 | T | 32.3 | Very low | 34 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | trans | -146.9 | 110.9 | 167.6 | 49 | 0 | 0 | 0 | 0 | 109.6 | L359 | L359-T361 HydrophobicContact CD2-CG2 4.19Š| ||
| 362 | D | 34.7 | Very low | 33.7 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -61.9 | 151.9 | 154.5 | -63.7 | -88 | 0 | 0 | 0 | 109.9 | ||||
| 363 | N | 33.9 | Very low | 33.5 | Very low | 169 Ų | 169 | 140 Ų | 140 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | trans | -156.9 | 148.9 | 155.8 | -105.9 | -44.3 | 0 | 0 | 0 | 110.5 | ||||
| 364 | K | 37.1 | Very low | 33.3 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -137.1 | 122.8 | -168.6 | 178 | -170.1 | 171.3 | -174.3 | 0 | 111.6 | D366 | K364-D366 WeakPolarHBondContact CE-OD2 3.46Å; K364-D366 IonicContact NZ-OD2 2.86Å | ||
| 365 | S | 33.6 | Very low | 33.2 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -164.1 | 112.1 | 160.9 | 52.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 366 | D | 31.2 | Very low | 33.1 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | 84.3 | 135.8 | 54.4 | -101 | -57.3 | 0 | 0 | 0 | 116.5 | K364 | K364-D366 WeakPolarHBondContact CE-OD2 3.46Å; K364-D366 IonicContact NZ-OD2 2.86Å | |||
| 367 | E | 32.3 | Very low | 33.1 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 61% | 0.607 | 76% | 0.76 | S | S | * | * | trans | 35.4 | 120.4 | 171.3 | -169.2 | 154.7 | 61.2 | 0 | 0 | 122.9 | R369 | E367-R369 IonicContact OE1-CZ 3.16Å; E367-R369 IonicContact OE1-NE 2.74Å; E367-R369 IonicContact OE1-NH2 2.75Å; E367-R369 PolarHBondContact OE1-NH2 3.37Å; E367-R369 IonicContact OE2-CZ 3.8Å; E367-R369 IonicContact OE2-NE 3.01Å; E367-R369 PolarHBondContact OE2-NE 2.99Å; E367-R369 IonicContact OE2-NH2 3.78Å; E367-R369 PolarHBondContact OE2-NH2 3.34Å | ||
| 368 | S | 28.5 | Very low | 32.8 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | -173.4 | 111.4 | 114.2 | -161.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 369 | R | 39.7 | Very low | 32.8 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 65% | 0.653 | 75% | 0.747 | S | S | * | * | 33.9 | 148.2 | 122.9 | -58.9 | 174.4 | -166.8 | -171.2 | 8.3 | 119.6 | E367 | E367-R369 IonicContact OE1-CZ 3.16Å; E367-R369 IonicContact OE1-NE 2.74Å; E367-R369 IonicContact OE1-NH2 2.75Å; E367-R369 PolarHBondContact OE1-NH2 3.37Å; E367-R369 IonicContact OE2-CZ 3.8Å; E367-R369 IonicContact OE2-NE 3.01Å; E367-R369 PolarHBondContact OE2-NE 2.99Å; E367-R369 IonicContact OE2-NH2 3.78Å; E367-R369 PolarHBondContact OE2-NH2 3.34Å | |||
| 370 | Q | 32.7 | Very low | 33 | Very low | 162 Ų | 162 | 130.4 Ų | 130.4 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | cis | -169.8 | 156.9 | 11.5 | -123.6 | 164.5 | 10.3 | 0 | 0 | 110.2 | ||||
| 371 | A | 31 | Very low | 33 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | 173.3 | 58.9 | 151.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 372 | T | 31.9 | Very low | 33 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | 31.3 | 112.7 | 123.8 | -49.4 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 373 | L | 31.9 | Very low | 32.8 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | 68.6 | 163.6 | 146.8 | -58 | 177.2 | 0 | 0 | 0 | 119.1 | ||||
| 374 | H | 33 | Very low | 32.5 | Very low | 158 Ų | 158 | 128.1 Ų | 128.1 | 73% | 0.731 | 74% | 0.743 | S | S | * | * | cis | -155.5 | 164.1 | 11.4 | -141.1 | -139.6 | 0 | 0 | 0 | 105.4 | ||||
| 375 | V | 30.7 | Very low | 32.1 | Very low | 102 Ų | 102 | 123.7 Ų | 123.7 | 62% | 0.618 | 75% | 0.747 | S | S | * | * | cis | 173.4 | 165.1 | -5 | 122.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 376 | S | 31 | Very low | 32 | Very low | 106 Ų | 106 | 122.3 Ų | 122.3 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | 68.5 | 142 | 173.4 | -63.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 377 | A | 31.6 | Very low | 32.1 | Very low | 89 Ų | 89 | 123.2 Ų | 123.2 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | cis | 78 | 143.3 | 33.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 378 | D | 30.3 | Very low | 32.2 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | cis | -157.3 | 170.9 | 20.2 | -156.9 | -11.8 | 0 | 0 | 0 | 112.9 | ||||
| 379 | T | 35.5 | Very low | 32.4 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | trans | 63.9 | 153.5 | 162 | 64.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 380 | S | 36.2 | Very low | 32.2 | Very low | 101 Ų | 101 | 122.6 Ų | 122.6 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | cis | -166.1 | 154.1 | -23.4 | 54.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 381 | K | 33.4 | Very low | 32.4 | Very low | 198 Ų | 198 | 124.4 Ų | 124.4 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | 20 | 138.5 | 142.3 | -74.7 | 179.4 | 176.8 | 175.4 | 0 | 119.8 | ||||
| 382 | T | 31.7 | Very low | 32.5 | Very low | 132 Ų | 132 | 124.6 Ų | 124.6 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | cis | -136.7 | -158.1 | 4.6 | 52.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 383 | S | 30.9 | Very low | 32.7 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | cis | -154.5 | -179.1 | 6.2 | 82.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 384 | G | 28.8 | Very low | 32.9 | Very low | 77 Ų | 77 | 130.2 Ų | 130.2 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | cis | -174.6 | -43.2 | 0.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 385 | G | 28.6 | Very low | 32.9 | Very low | 83 Ų | 83 | 128.2 Ų | 128.2 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -175.4 | 164.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 386 | G | 30.8 | Very low | 33.1 | Very low | 85 Ų | 85 | 130 Ų | 130 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | trans | 146 | 130.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 387 | N | 32.7 | Very low | 33.2 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | trans | -122.4 | 150.4 | -163.1 | -141.6 | -13.2 | 0 | 0 | 0 | 113.1 | ||||
| 388 | K | 35.8 | Very low | 33.4 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | 70.3 | 136.4 | 153.2 | -78.8 | 160.3 | 154.8 | -95.5 | 0 | 122.8 | ||||
| 389 | E | 32.3 | Very low | 33.8 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | 69.9 | 135 | 139.3 | -67.2 | 165.7 | 74 | 0 | 0 | 120.4 | ||||
| 390 | G | 34.5 | Very low | 34.7 | Very low | 77 Ų | 77 | 140.2 Ų | 140.2 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | 163.2 | 48.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A392 | G390-A392 PolarHBondContact O-N 3.39Š| ||
| 391 | Q | 36.8 | Very low | 34.6 | Very low | 200 Ų | 200 | 139.6 Ų | 139.6 | 94% | 0.935 | 80% | 0.801 | S | S | * | * | trans | -72.4 | 117.7 | -170.1 | -171.7 | -176.5 | 29.1 | 0 | 0 | 112.9 | ||||
| 392 | A | 33.4 | Very low | 34.6 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -138.1 | 90.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G390 | G390-A392 PolarHBondContact O-N 3.39Š| ||
| 393 | N | 37.3 | Very low | 34.7 | Very low | 136 Ų | 136 | 137 Ų | 137 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -78.9 | 129.4 | -178.3 | 177.6 | 4.5 | 0 | 0 | 0 | 112.2 | S395 | N393-S395 PolarHBondContact OD1-N 3.21Š| ||
| 394 | R | 35.3 | Very low | 34.8 | Very low | 245 Ų | 245 | 136.2 Ų | 136.2 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -151.4 | 95.4 | 150.1 | -112.9 | 168 | -165.6 | -139.8 | -1.3 | 111.9 | ||||
| 395 | S | 34.1 | Very low | 35.1 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -60.1 | 157.9 | 176.6 | -171.8 | 0 | 0 | 0 | 0 | 113.7 | N393 | N393-S395 PolarHBondContact OD1-N 3.21Š| ||
| 396 | N | 34.3 | Very low | 35.8 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | -119.1 | 136.6 | -164 | -164.1 | 11.3 | 0 | 0 | 0 | 112.2 | ||||
| 397 | R | 33.3 | Very low | 37.1 | Very low | 207 Ų | 207 | 140 Ų | 140 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | 35.5 | 102.4 | 146.7 | -170.7 | -177.2 | -160.9 | 172.8 | 4 | 118.7 | ||||
| 398 | K | 35.3 | Very low | 38.1 | Very low | 197 Ų | 197 | 137.7 Ų | 137.7 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | -67.6 | 140.3 | 163.2 | -71.8 | -176.5 | 174.4 | -177.1 | 0 | 112.2 | ||||
| 399 | Q | 39.3 | Very low | 38 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -142.4 | -178.4 | 162.6 | -70.3 | -62.4 | -69.6 | 0 | 0 | 106.9 | ||||
| 400 | P | 53.6 | Low | 38.1 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | -129.8 | -162.8 | -106.9 | 32.9 | -8 | 0 | 0 | 0 | 113.8 | |||||
| 401 | A | 33.6 | Very low | 38.1 | Very low | 87 Ų | 87 | 137.2 Ų | 137.2 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | trans | 72.1 | 158.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 402 | L | 33.6 | Very low | 37.9 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | cis | -159.4 | -174.9 | -21.4 | -114.6 | 173.4 | 0 | 0 | 0 | 108.8 | ||||
| 403 | S | 33.6 | Very low | 38.2 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | 79.6 | 155 | 168.2 | -50.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 404 | A | 35 | Very low | 38.4 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | cis | 162.2 | 110 | -44.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 405 | A | 33.9 | Very low | 39.4 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | trans | -162.1 | 164.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 406 | A | 42.5 | Very low | 39.7 | Very low | 96 Ų | 96 | 131 Ų | 131 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | trans | -131.4 | -178.8 | -166.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 407 | P | 59.6 | Low | 41 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | -101.4 | -162.7 | -143.1 | 45.2 | -42.6 | 0 | 0 | 0 | 113.8 | ||||
| 408 | P | 54 | Low | 41.6 | Very low | 103 Ų | 103 | 129 Ų | 129 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | -149.2 | -161 | 76 | 34.6 | -9.7 | 0 | 0 | 0 | 115.4 | |||||
| 409 | E | 33.9 | Very low | 42.3 | Very low | 180 Ų | 180 | 127.2 Ų | 127.2 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | trans | 72 | 143.5 | 166.2 | -47.8 | -52.5 | 83 | 0 | 0 | 121.3 | ||||
| 410 | G | 32.8 | Very low | 43 | Very low | 85 Ų | 85 | 135.2 Ų | 135.2 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | trans | 129.7 | 77.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 411 | S | 35.1 | Very low | 42.4 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | -114.1 | 134 | 173.7 | 180 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 412 | S | 33.5 | Very low | 42.9 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | trans | 176.3 | 170.6 | 130.2 | -161.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 413 | N | 37.9 | Very low | 43.4 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 74% | 0.743 | 83% | 0.832 | S | S | * | * | trans | -115.2 | -172.7 | -176 | -76.8 | -75.1 | 0 | 0 | 0 | 112.8 | ||||
| 414 | T | 43.3 | Very low | 44 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 81% | 0.81 | 83% | 0.834 | S | S | * | * | trans | 88.7 | 157.6 | 160.4 | 75.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 415 | P | 55 | Low | 44.6 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | cis | -135.5 | 178.6 | -42.5 | 35.4 | -19.4 | 0 | 0 | 0 | 114.5 | ||||
| 416 | L | 41.7 | Very low | 45.3 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 147.1 | 162.2 | -87.6 | 152.2 | 0 | 0 | 0 | 111.6 | ||
| 417 | P | 59.7 | Low | 45.5 | Very low | 110 Ų | 110 | 147.3 Ų | 147.3 | 71% | 0.714 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 144.4 | 168.3 | 34.3 | -32.4 | 0 | 0 | 0 | 112.4 | ||
| 418 | Q | 46.6 | Very low | 44.4 | Very low | 194 Ų | 194 | 149.5 Ų | 149.5 | 91% | 0.907 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 161.2 | 156.2 | -71 | -173.5 | -65.9 | 0 | 0 | 110.1 | ||
| 419 | I | 50 | Low | 43.6 | Very low | 159 Ų | 159 | 153.4 Ų | 153.4 | 82% | 0.815 | 85% | 0.85 | S | S | * | * | trans | -130.4 | 138.4 | 171 | -58.9 | 177.4 | 0 | 0 | 0 | 106.7 | ||||
| 420 | W | 53.7 | Low | 44.5 | Very low | 325 Ų | 325 | 151 Ų | 151 | 100% | 1.231 | 85% | 0.851 | S | S | * | * | trans | -82.5 | 0 | 172 | -72.9 | -33.4 | 0 | 0 | 0 | 111.3 |
Retrieved 420 of 420 residues in 90.8 ms
(Link to these results)