| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.5 | Very low | 32.7 | Very low | 246 Ų | 246 | 159.7 Ų | 159.7 | 100% | 1.212 | 84% | 0.842 | S | S | * | * | 0 | 109 | 0 | -61.1 | 176.2 | 95.9 | 0 | 0 | 105.6 | |||||
| 2 | S | 33.2 | Very low | 32.6 | Very low | 117 Ų | 117 | 152.9 Ų | 152.9 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -94.2 | 138.2 | -174.2 | -163.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 3 | S | 34.9 | Very low | 33.4 | Very low | 105 Ų | 105 | 151.1 Ų | 151.1 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | trans | -110.1 | 112.5 | 177.3 | 52.2 | 0 | 0 | 0 | 0 | 109.4 | E5 | S3-E5 PolarHBondContact O-N 3.29Š| ||
| 4 | D | 30.4 | Very low | 34.2 | Very low | 158 Ų | 158 | 146.9 Ų | 146.9 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 116.5 | 174.1 | -65.9 | -52.7 | 0 | 0 | 0 | 110.7 | ||
| 5 | E | 30.9 | Very low | 35 | Very low | 178 Ų | 178 | 148.7 Ų | 148.7 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 131.9 | 163.5 | -73.4 | -168.9 | 133.3 | 0 | 0 | 109.9 | S3 | S3-E5 PolarHBondContact O-N 3.29Š|
| 6 | P | 34.3 | Very low | 35.9 | Very low | 124 Ų | 124 | 146.4 Ų | 146.4 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 132.4 | 177.4 | 30.1 | -33.2 | 0 | 0 | 0 | 111.6 | S8 | P6-S8 PolarHBondContact O-N 3.01Š|
| 7 | Y | 29 | Very low | 36.5 | Very low | 232 Ų | 232 | 142.1 Ų | 142.1 | 91% | 0.91 | 76% | 0.763 | S | S | * | * | trans | -44.6 | 107.6 | 179.9 | -96.4 | -108.8 | 0 | 0 | 0 | 114.6 | R9 | Y7-R9 VanDerWaalsContact C-N 3.33Å; Y7-R9 PolarHBondContact O-N 2.97Å | ||
| 8 | S | 30 | Very low | 37 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -76.4 | 78.7 | 169.5 | -174.4 | 0 | 0 | 0 | 0 | 111.3 | P6 K10 | P6-S8 PolarHBondContact O-N 3.01Å; S8-K10 VanDerWaalsContact C-N 3.32Å; S8-K10 PolarHBondContact O-N 3.22Å | ||
| 9 | R | 37.1 | Very low | 37.4 | Very low | 235 Ų | 235 | 135 Ų | 135 | 89% | 0.887 | 73% | 0.733 | S | S | * | * | trans | -76.2 | 79.7 | 177.6 | -156 | -179.7 | -160.9 | -176.1 | 8.1 | 110.9 | Y7 G11 | Y7-R9 VanDerWaalsContact C-N 3.33Å; Y7-R9 PolarHBondContact O-N 2.97Å; R9-G11 PolarHBondContact O-N 3.1Å | ||
| 10 | K | 30.9 | Very low | 37.9 | Very low | 196 Ų | 196 | 134.8 Ų | 134.8 | 85% | 0.852 | 72% | 0.724 | S | S | * | * | trans | -66.8 | 72 | 165.9 | -80.5 | -174.9 | 176.7 | 174.4 | 0 | 111.1 | S8 G12 | S8-K10 VanDerWaalsContact C-N 3.32Å; S8-K10 PolarHBondContact O-N 3.22Å; K10-G12 PolarHBondContact O-N 2.75Å; K10-G12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | G | 33.9 | Very low | 38 | Very low | 61 Ų | 61 | 130.2 Ų | 130.2 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | trans | -69.8 | 101.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | R9 L13 | R9-G11 PolarHBondContact O-N 3.1Å; G11-L13 PolarHBondContact O-N 2.85Å | ||
| 12 | G | 31.3 | Very low | 38.3 | Very low | 78 Ų | 78 | 122.5 Ų | 122.5 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | trans | -66.6 | 99.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K10 N14 | K10-G12 PolarHBondContact O-N 2.75Å; K10-G12 VanDerWaalsContact O-N 3.16Å; G12-N14 PolarHBondContact O-N 2.8Å | ||
| 13 | L | 43.2 | Very low | 38.6 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 68% | 0.675 | 67% | 0.665 | S | S | * | * | trans | -57.7 | 120.4 | 168 | -88.4 | 159.4 | 0 | 0 | 0 | 109.6 | G11 K15 A337 | G11-L13 PolarHBondContact O-N 2.85Å; L13-K15 PolarHBondContact O-N 2.87Å; L13-A337 HydrophobicContact CD2-CB 4.23Å | ||
| 14 | N | 43.7 | Very low | 38.6 | Very low | 93 Ų | 93 | 120.9 Ų | 120.9 | 50% | 0.497 | 66% | 0.656 | S | S | . | * | trans | -67.1 | 120.2 | 179.2 | -171.4 | -9 | 0 | 0 | 0 | 109.6 | G12 N16 D17 | G12-N14 PolarHBondContact O-N 2.8Å; N14-N16 PolarHBondContact O-N 3Å; N14-N16 PolarHBondContact OD1-N 3.18Å; N14-D17 PolarHBondContact O-N 3.18Å; N14-D17 VanDerWaalsContact O-N 3.08Å | ||
| 15 | K | 47.1 | Very low | 38.7 | Very low | 174 Ų | 174 | 119 Ų | 119 | 76% | 0.757 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -56.4 | -24.2 | -176.5 | -70.6 | -177.1 | 177 | 179.3 | 0 | 113.3 | L13 D17 N19 | L13-K15 PolarHBondContact O-N 2.87Å; K15-D17 VanDerWaalsContact C-N 3.34Å; K15-D17 PolarHBondContact O-N 2.95Å; K15-N19 PolarHBondContact O-N 3.41Å |
| 16 | N | 49.8 | Very low | 38.7 | Very low | 111 Ų | 111 | 115.8 Ų | 115.8 | 59% | 0.594 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.1 | -30.6 | 179.4 | -69.9 | -12.7 | 0 | 0 | 0 | 113.6 | N14 | N14-N16 PolarHBondContact O-N 3Å; N14-N16 PolarHBondContact OD1-N 3.18Å |
| 17 | D | 45 | Very low | 38.6 | Very low | 73 Ų | 73 | 114.2 Ų | 114.2 | 39% | 0.39 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -79.6 | -31.5 | -178.6 | -64.1 | -47.9 | 0 | 0 | 0 | 111.9 | N14 K15 N19 K20 | N14-D17 PolarHBondContact O-N 3.18Å; N14-D17 VanDerWaalsContact O-N 3.08Å; K15-D17 VanDerWaalsContact C-N 3.34Å; K15-D17 PolarHBondContact O-N 2.95Å; D17-N19 PolarHBondContact O-N 2.86Å; D17-K20 PolarHBondContact O-N 2.79Å |
| 18 | A | 46.4 | Very low | 38.9 | Very low | 50 Ų | 50 | 111 Ų | 111 | 41% | 0.413 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -63 | -40.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K20 C21 | A18-K20 VanDerWaalsContact C-N 3.32Å; A18-K20 PolarHBondContact O-N 2.77Å; A18-C21 WeakPolarHBondContact O-CB 3.38Å; A18-C21 PolarHBondContact O-N 3.13Å; A18-C21 VanDerWaalsContact O-N 3.14Å |
| 19 | N | 44.8 | Very low | 38.9 | Very low | 100 Ų | 100 | 114 Ų | 114 | 54% | 0.535 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -69.9 | -22.7 | -178.2 | -73.5 | -9.8 | 0 | 0 | 0 | 114 | K15 D17 C21 T22 | K15-N19 PolarHBondContact O-N 3.41Å; D17-N19 PolarHBondContact O-N 2.86Å; N19-C21 VanDerWaalsContact C-N 3.29Å; N19-T22 PolarHBondContact O-OG1 3.32Å; N19-T22 VanDerWaalsContact O-OG1 3.09Å |
| 20 | K | 47.2 | Very low | 38.7 | Very low | 130 Ų | 130 | 108.3 Ų | 108.3 | 57% | 0.565 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68 | -31.5 | 171.7 | -78.5 | -177 | 176.4 | 175.7 | 0 | 111.9 | D17 A18 | D17-K20 PolarHBondContact O-N 2.79Å; A18-K20 VanDerWaalsContact C-N 3.32Å; A18-K20 PolarHBondContact O-N 2.77Å |
| 21 | C | 39.3 | Very low | 38.8 | Very low | 40 Ų | 40 | 108.6 Ų | 108.6 | 27% | 0.27 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -75.7 | -28 | -176 | -164.4 | 0 | 0 | 0 | 0 | 113.5 | A18 N19 C336 | A18-C21 WeakPolarHBondContact O-CB 3.38Å; A18-C21 PolarHBondContact O-N 3.13Å; A18-C21 VanDerWaalsContact O-N 3.14Å; N19-C21 VanDerWaalsContact C-N 3.29Å; C21-C336 HydrophobicContact CB-CB 4.41Å; C21-C336 WeakPolarHBondContact SG-CB 3.2Å |
| 22 | T | 41.8 | Very low | 38.7 | Very low | 83 Ų | 83 | 112.8 Ų | 112.8 | 51% | 0.509 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -75.1 | -28.8 | -179.7 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | N19 G24 T25 | N19-T22 PolarHBondContact O-OG1 3.32Å; N19-T22 VanDerWaalsContact O-OG1 3.09Å; T22-G24 VanDerWaalsContact C-N 3.34Å; T22-T25 PolarHBondContact O-OG1 2.9Å |
| 23 | N | 39.3 | Very low | 38.9 | Very low | 135 Ų | 135 | 115.7 Ų | 115.7 | 72% | 0.722 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -4.3 | -173.9 | -63 | -2.8 | 0 | 0 | 0 | 113.3 | T25 | N23-T25 PolarHBondContact O-N 3.03Š|
| 24 | G | 36 | Very low | 38.6 | Very low | 53 Ų | 53 | 112.2 Ų | 112.2 | 55% | 0.546 | 63% | 0.63 | S | S | . | * | trans | -82.7 | 24.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T22 V26 | T22-G24 VanDerWaalsContact C-N 3.34Å; G24-V26 PolarHBondContact O-N 3.33Å | ||
| 25 | T | 32.5 | Very low | 38.1 | Very low | 119 Ų | 119 | 116 Ų | 116 | 73% | 0.73 | 64% | 0.643 | S | S | * | * | trans | -71.7 | 96.3 | -180 | 8.5 | 0 | 0 | 0 | 0 | 110.5 | T22 N23 S27 | T22-T25 PolarHBondContact O-OG1 2.9Å; N23-T25 PolarHBondContact O-N 3.03Å; T25-S27 PolarHBondContact O-N 2.91Å | ||
| 26 | V | 31.2 | Very low | 37.4 | Very low | 110 Ų | 110 | 114 Ų | 114 | 67% | 0.667 | 65% | 0.65 | S | S | * | * | trans | -62.1 | 101.1 | 170 | 178.9 | 0 | 0 | 0 | 0 | 108.5 | G24 L28 | G24-V26 PolarHBondContact O-N 3.33Å; V26-L28 PolarHBondContact O-N 3.32Å | ||
| 27 | S | 31.4 | Very low | 36.6 | Very low | 91 Ų | 91 | 112.2 Ų | 112.2 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | trans | -69 | 98.9 | 177.3 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | T25 K29 | T25-S27 PolarHBondContact O-N 2.91Å; S27-K29 PolarHBondContact O-N 3.43Å | ||
| 28 | L | 35.4 | Very low | 36 | Very low | 165 Ų | 165 | 113.8 Ų | 113.8 | 86% | 0.864 | 67% | 0.67 | S | S | * | * | trans | -73 | 43 | 170.2 | -68.2 | 172.8 | 0 | 0 | 0 | 112.1 | V26 P30 | V26-L28 PolarHBondContact O-N 3.32Å; L28-P30 WeakPolarHBondContact O-CD 3.02Å | ||
| 29 | K | 28.9 | Very low | 35.2 | Very low | 168 Ų | 168 | 116 Ų | 116 | 73% | 0.73 | 68% | 0.683 | S | S | * | * | trans | -84.2 | 114.5 | 162.5 | -83.2 | -171.6 | 173.8 | -178.4 | 0 | 108.2 | S27 K31 | S27-K29 PolarHBondContact O-N 3.43Å; K29-K31 PolarHBondContact O-N 3.33Å | ||
| 30 | P | 32.9 | Very low | 34.6 | Very low | 116 Ų | 116 | 120.9 Ų | 120.9 | 75% | 0.753 | 70% | 0.699 | S | S | * | * | trans | -60.5 | 125.5 | 173.9 | 24.7 | -32.6 | 0 | 0 | 0 | 109.4 | L28 H32 | L28-P30 WeakPolarHBondContact O-CD 3.02Å; P30-H32 PolarHBondContact O-N 2.9Å; P30-H32 VanDerWaalsContact O-N 3.09Å | ||
| 31 | K | 34.6 | Very low | 33.8 | Very low | 202 Ų | 202 | 120 Ų | 120 | 88% | 0.878 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -75.2 | 11.1 | -173.4 | -82.1 | -172.8 | 174.5 | -179.6 | 0 | 115.1 | K29 | K29-K31 PolarHBondContact O-N 3.33Š|
| 32 | H | 31.7 | Very low | 33.4 | Very low | 149 Ų | 149 | 123.3 Ų | 123.3 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | trans | -131.2 | 122.7 | -180 | -76.7 | -75.4 | 0 | 0 | 0 | 112.5 | P30 G34 | P30-H32 PolarHBondContact O-N 2.9Å; P30-H32 VanDerWaalsContact O-N 3.09Å; H32-G34 PolarHBondContact O-N 3.39Å | ||
| 33 | P | 35.8 | Very low | 33.1 | Very low | 138 Ų | 138 | 125.6 Ų | 125.6 | 90% | 0.896 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 37.4 | 175.5 | 36 | -36.6 | 0 | 0 | 0 | 112.4 | ||
| 34 | G | 35.7 | Very low | 32.9 | Very low | 57 Ų | 57 | 123 Ų | 123 | 59% | 0.588 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | -8.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | H32 | H32-G34 PolarHBondContact O-N 3.39Š|
| 35 | F | 33.4 | Very low | 33 | Very low | 173 Ų | 173 | 129.7 Ų | 129.7 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | -118.9 | 63.7 | -174.6 | -71.2 | -78.6 | 0 | 0 | 0 | 112.3 | G37 V38 | F35-G37 VanDerWaalsContact C-N 3.33Å; F35-V38 HydrophobicContact CB-CG2 4.48Å; F35-V38 HydrophobicContact CD1-CG2 3.81Å | ||
| 36 | S | 33.4 | Very low | 33.4 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -85.3 | 0 | 174.5 | 52.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 37 | G | 32.4 | Very low | 34.1 | Very low | 75 Ų | 75 | 131.2 Ų | 131.2 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -121.4 | 0.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | F35 | F35-G37 VanDerWaalsContact C-N 3.33Š|
| 38 | V | 32.1 | Very low | 35.3 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -80.3 | 127.9 | 178.6 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | F35 | F35-V38 HydrophobicContact CB-CG2 4.48Å; F35-V38 HydrophobicContact CD1-CG2 3.81Å |
| 39 | S | 29.1 | Very low | 36.3 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | trans | -28.6 | 140.1 | 171.1 | -178.7 | 0 | 0 | 0 | 0 | 113.8 | V41 | S39-V41 PolarHBondContact O-N 3.47Š| ||
| 40 | K | 33.1 | Very low | 37.9 | Very low | 202 Ų | 202 | 129.3 Ų | 129.3 | 88% | 0.878 | 72% | 0.719 | S | S | * | * | trans | -60.6 | 84.9 | 166 | -67.7 | 178.1 | -178.2 | 175.3 | 0 | 109 | P42 | K40-P42 WeakPolarHBondContact O-CD 3.39Å; K40-P42 VanDerWaalsContact O-N 3.11Å | ||
| 41 | V | 30.7 | Very low | 39.1 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 67% | 0.673 | 71% | 0.706 | S | S | * | * | trans | -49.2 | 121.2 | 156.9 | 179 | 0 | 0 | 0 | 0 | 104.8 | S39 V43 | S39-V41 PolarHBondContact O-N 3.47Å; V41-V43 PolarHBondContact O-N 3.23Å | ||
| 42 | P | 30.7 | Very low | 40.3 | Very low | 109 Ų | 109 | 122.4 Ų | 122.4 | 71% | 0.708 | 68% | 0.679 | S | S | * | * | trans | -60.4 | 111.6 | 178.6 | 24.2 | -31.5 | 0 | 0 | 0 | 106.1 | K40 A44 | K40-P42 WeakPolarHBondContact O-CD 3.39Å; K40-P42 VanDerWaalsContact O-N 3.11Å; P42-A44 VanDerWaalsContact C-N 3.34Å; P42-A44 PolarHBondContact O-N 3.04Å | ||
| 43 | V | 34.9 | Very low | 41.6 | Very low | 131 Ų | 131 | 116 Ų | 116 | 79% | 0.794 | 65% | 0.65 | S | S | * | * | trans | -51.2 | 108.7 | 168.8 | 175 | 0 | 0 | 0 | 0 | 104.4 | V41 K45 | V41-V43 PolarHBondContact O-N 3.23Å; V43-K45 PolarHBondContact O-N 3.37Å | ||
| 44 | A | 34.9 | Very low | 42.9 | Very low | 80 Ų | 80 | 113.5 Ų | 113.5 | 66% | 0.661 | 63% | 0.627 | S | S | * | * | trans | -49.7 | 120 | -172.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | P42 Q46 | P42-A44 VanDerWaalsContact C-N 3.34Å; P42-A44 PolarHBondContact O-N 3.04Å; A44-Q46 PolarHBondContact O-N 3.38Å | ||
| 45 | K | 38.7 | Very low | 44.2 | Very low | 194 Ų | 194 | 120.2 Ų | 120.2 | 84% | 0.843 | 63% | 0.634 | S | S | * | * | trans | -38.6 | 118.2 | -170.8 | -77.4 | 179.7 | 176.2 | 177.4 | 0 | 107.4 | V43 L47 | V43-K45 PolarHBondContact O-N 3.37Å; K45-L47 PolarHBondContact O-N 3.27Å | ||
| 46 | Q | 41 | Very low | 45.8 | Very low | 180 Ų | 180 | 114.3 Ų | 114.3 | 84% | 0.841 | 61% | 0.611 | S | S | * | * | trans | -42.6 | 108.3 | -176 | -78.3 | 179.2 | -28.2 | 0 | 0 | 107.7 | A44 T48 | A44-Q46 PolarHBondContact O-N 3.38Å; Q46-T48 PolarHBondContact O-N 3.1Å | ||
| 47 | L | 45.8 | Very low | 47.5 | Very low | 82 Ų | 82 | 108.3 Ų | 108.3 | 43% | 0.429 | 57% | 0.569 | S | S | . | * | trans | -57.7 | 121.3 | 172.4 | -88.8 | 83.1 | 0 | 0 | 0 | 103.9 | K45 R49 Q51 F52 | K45-L47 PolarHBondContact O-N 3.27Å; L47-R49 PolarHBondContact O-N 3.35Å; L47-Q51 HydrophobicContact CB-CB 4.29Å; L47-Q51 HydrophobicContact CD2-CB 4.29Å; L47-Q51 HydrophobicContact CG-CB 4.36Å; L47-F52 HydrophobicContact CB-CB 3.94Å; L47-F52 HydrophobicContact CD2-CB 4.28Å | ||
| 48 | T | 55.9 | Low | 49.2 | Very low | 76 Ų | 76 | 111.1 Ų | 111.1 | 47% | 0.466 | 56% | 0.562 | S | S | . | * | trans | -52.9 | 145.9 | 172.1 | 54.6 | 0 | 0 | 0 | 0 | 107.4 | Q46 K50 Q51 F52 | Q46-T48 PolarHBondContact O-N 3.1Å; T48-K50 CarbonylContact O-C 3.49Å; T48-K50 PolarHBondContact O-N 2.92Å; T48-Q51 PolarHBondContact O-N 2.89Å; T48-Q51 VanDerWaalsContact OG1-CD 3.25Å; T48-Q51 VanDerWaalsContact OG1-CG 3.27Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.26Å; T48-Q51 PolarHBondContact OG1-N 3.06Å; T48-Q51 PolarHBondContact OG1-OE1 3.09Å; T48-F52 PolarHBondContact O-N 3.24Å | ||
| 49 | R | 57.3 | Low | 51.1 | Low | 161 Ų | 161 | 112.8 Ų | 112.8 | 61% | 0.608 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -47.4 | -38.8 | -179.2 | 175.9 | 178.2 | 162.6 | -163 | -9.6 | 110.9 | L47 V53 N427 | L47-R49 PolarHBondContact O-N 3.35Å; R49-V53 HydrophobicContact CG-CG2 4.2Å; R49-V53 WeakPolarHBondContact O-CB 3.4Å; R49-V53 WeakPolarHBondContact O-CG2 3.33Å; R49-V53 PolarHBondContact O-N 3.16Å; R49-N427 PolarHBondContact NH2-OD1 2.87Å |
| 50 | K | 61.2 | Low | 53.4 | Low | 147 Ų | 147 | 109.5 Ų | 109.5 | 64% | 0.639 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -56.1 | -57.8 | 171.6 | -175.5 | 162.7 | 179.9 | 168.9 | 0 | 113.3 | T48 F52 V53 E54 | T48-K50 CarbonylContact O-C 3.49Å; T48-K50 PolarHBondContact O-N 2.92Å; K50-F52 PolarHBondContact O-N 3.22Å; K50-V53 CarbonylContact O-C 3.59Å; K50-V53 WeakPolarHBondContact O-CB 2.87Å; K50-V53 PolarHBondContact O-N 3.31Å; K50-E54 WeakPolarHBondContact CE-OE1 3.11Å; K50-E54 HydrophobicContact CG-CG 4.34Å; K50-E54 VanDerWaalsContact CG-OE1 3.3Å; K50-E54 WeakPolarHBondContact CG-OE1 3.32Å; K50-E54 IonicContact NZ-OE1 3.66Å; K50-E54 WeakPolarHBondContact O-CB 3.48Å; K50-E54 VanDerWaalsContact O-CG 3.3Å; K50-E54 WeakPolarHBondContact O-CG 3.49Å; K50-E54 PolarHBondContact O-N 2.89Å |
| 51 | Q | 58.3 | Low | 55.4 | Low | 102 Ų | 102 | 100.3 Ų | 100.3 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.2 | -36.1 | 178.4 | -72.4 | 165 | -37.4 | 0 | 0 | 114.1 | L47 T48 R55 | L47-Q51 HydrophobicContact CB-CB 4.29Å; L47-Q51 HydrophobicContact CD2-CB 4.29Å; L47-Q51 HydrophobicContact CG-CB 4.36Å; T48-Q51 PolarHBondContact O-N 2.89Å; T48-Q51 VanDerWaalsContact OG1-CD 3.25Å; T48-Q51 VanDerWaalsContact OG1-CG 3.27Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.26Å; T48-Q51 PolarHBondContact OG1-N 3.06Å; T48-Q51 PolarHBondContact OG1-OE1 3.09Å; Q51-R55 VanDerWaalsContact O-CB 3.31Å; Q51-R55 WeakPolarHBondContact O-CB 3.36Å; Q51-R55 PolarHBondContact O-N 3.45Å; Q51-R55 VanDerWaalsContact O-N 3.12Å |
| 52 | F | 60.5 | Low | 57.6 | Low | 71 Ų | 71 | 96.7 Ų | 96.7 | 31% | 0.311 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.2 | -45.1 | 175.1 | 177.8 | -86.3 | 0 | 0 | 0 | 110.4 | L47 T48 K50 N56 A328 | L47-F52 HydrophobicContact CB-CB 3.94Å; L47-F52 HydrophobicContact CD2-CB 4.28Å; T48-F52 PolarHBondContact O-N 3.24Å; K50-F52 PolarHBondContact O-N 3.22Å; F52-N56 WeakPolarHBondContact CD2-ND2 3.47Å; F52-N56 HydrophobicContact CE1-CB 4.46Å; F52-N56 WeakPolarHBondContact CE2-ND2 3.45Å; F52-N56 HydrophobicContact CZ-CB 4.5Å; F52-N56 WeakPolarHBondContact O-CB 3.42Å; F52-N56 PolarHBondContact O-N 2.95Å; F52-N56 VanDerWaalsContact O-N 3.08Å; F52-N56 PolarHBondContact O-ND2 2.89Å; F52-A328 HydrophobicContact CE1-CB 4Å; F52-A328 WeakPolarHBondContact CE1-O 3.48Å; F52-A328 HydrophobicContact CZ-CB 4Å |
| 53 | V | 58.5 | Low | 60 | Low | 13 Ų | 13 | 96.4 Ų | 96.4 | 8% | 0.079 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -60 | -56.7 | 175.9 | 162.7 | 0 | 0 | 0 | 0 | 110 | R49 K50 R55 N56 C57 I429 | R49-V53 HydrophobicContact CG-CG2 4.2Å; R49-V53 WeakPolarHBondContact O-CB 3.4Å; R49-V53 WeakPolarHBondContact O-CG2 3.33Å; R49-V53 PolarHBondContact O-N 3.16Å; K50-V53 CarbonylContact O-C 3.59Å; K50-V53 WeakPolarHBondContact O-CB 2.87Å; K50-V53 PolarHBondContact O-N 3.31Å; V53-R55 PolarHBondContact O-N 2.89Å; V53-N56 PolarHBondContact O-N 2.85Å; V53-C57 WeakPolarHBondContact O-CA 3.29Å; V53-C57 WeakPolarHBondContact O-CB 3.42Å; V53-C57 PolarHBondContact O-N 3.27Å; V53-C57 PolarHBondContact O-SG 2.85Å; V53-I429 HydrophobicContact CG1-CD1 3.28Å; V53-I429 HydrophobicContact CG1-CG1 3.78Å |
| 54 | E | 63.4 | Low | 62.3 | Low | 87 Ų | 87 | 90.2 Ų | 90.2 | 41% | 0.407 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -51.6 | -56 | 179.6 | -71.8 | 163.5 | 161.8 | 0 | 0 | 111.5 | K50 N56 E58 | K50-E54 WeakPolarHBondContact CE-OE1 3.11Å; K50-E54 HydrophobicContact CG-CG 4.34Å; K50-E54 VanDerWaalsContact CG-OE1 3.3Å; K50-E54 WeakPolarHBondContact CG-OE1 3.32Å; K50-E54 IonicContact NZ-OE1 3.66Å; K50-E54 WeakPolarHBondContact O-CB 3.48Å; K50-E54 VanDerWaalsContact O-CG 3.3Å; K50-E54 WeakPolarHBondContact O-CG 3.49Å; K50-E54 PolarHBondContact O-N 2.89Å; E54-N56 PolarHBondContact O-N 2.97Å; E54-E58 PolarHBondContact O-N 3.12Å |
| 55 | R | 63.8 | Low | 64.6 | Low | 197 Ų | 197 | 87.3 Ų | 87.3 | 74% | 0.743 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -73.4 | -26.5 | -171.4 | -160 | 175.3 | -170.3 | 175 | 3.8 | 114.8 | Q51 V53 | Q51-R55 VanDerWaalsContact O-CB 3.31Å; Q51-R55 WeakPolarHBondContact O-CB 3.36Å; Q51-R55 PolarHBondContact O-N 3.45Å; Q51-R55 VanDerWaalsContact O-N 3.12Å; V53-R55 PolarHBondContact O-N 2.89Å |
| 56 | N | 67 | Low | 66.8 | Low | 50 Ų | 50 | 82.3 Ų | 82.3 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -92.7 | -33.7 | 175.8 | -68.6 | -92 | 0 | 0 | 0 | 111.8 | F52 V53 E54 E58 W59 Y60 | F52-N56 WeakPolarHBondContact CD2-ND2 3.47Å; F52-N56 HydrophobicContact CE1-CB 4.46Å; F52-N56 WeakPolarHBondContact CE2-ND2 3.45Å; F52-N56 HydrophobicContact CZ-CB 4.5Å; F52-N56 WeakPolarHBondContact O-CB 3.42Å; F52-N56 PolarHBondContact O-N 2.95Å; F52-N56 VanDerWaalsContact O-N 3.08Å; F52-N56 PolarHBondContact O-ND2 2.89Å; V53-N56 PolarHBondContact O-N 2.85Å; E54-N56 PolarHBondContact O-N 2.97Å; N56-E58 PolarHBondContact O-N 3.43Å; N56-W59 PolarHBondContact O-N 3.45Å; N56-Y60 HydrophobicContact CB-CD2 4.1Å; N56-Y60 HydrophobicContact CB-CE2 4.12Å; N56-Y60 WeakPolarHBondContact O-CD2 3.27Å; N56-Y60 PolarHBondContact O-N 2.75Å |
| 57 | C | 68.9 | Low | 68.9 | Low | 4 Ų | 4 | 74.1 Ų | 74.1 | 3% | 0.027 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | -178 | -71.4 | 0 | 0 | 0 | 0 | 111 | V53 W59 Y60 I61 | V53-C57 WeakPolarHBondContact O-CA 3.29Å; V53-C57 WeakPolarHBondContact O-CB 3.42Å; V53-C57 PolarHBondContact O-N 3.27Å; V53-C57 PolarHBondContact O-SG 2.85Å; C57-W59 VanDerWaalsContact C-N 3.3Å; C57-W59 PolarHBondContact O-N 3.24Å; C57-Y60 CarbonylContact O-C 3.57Å; C57-Y60 PolarHBondContact O-N 2.79Å; C57-Y60 VanDerWaalsContact O-N 3.15Å; C57-I61 HydrophobicContact CB-CD1 3.97Å; C57-I61 VanDerWaalsContact O-CB 3.32Å; C57-I61 WeakPolarHBondContact O-CB 3.44Å; C57-I61 WeakPolarHBondContact O-CD1 3.38Å; C57-I61 WeakPolarHBondContact O-CG1 3.48Å; C57-I61 PolarHBondContact O-N 2.89Å |
| 58 | E | 67.6 | Low | 71 | Confident | 134 Ų | 134 | 70.2 Ų | 70.2 | 63% | 0.626 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -52.7 | -47.2 | 175.4 | -71 | 179.4 | 159.2 | 0 | 0 | 112.3 | E54 N56 I61 G62 | E54-E58 PolarHBondContact O-N 3.12Å; N56-E58 PolarHBondContact O-N 3.43Å; E58-I61 PolarHBondContact O-N 3.28Å; E58-G62 PolarHBondContact O-N 3.18Å |
| 59 | W | 71.9 | Confident | 72.6 | Confident | 140 Ų | 140 | 70.5 Ų | 70.5 | 53% | 0.53 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 177.5 | -174.9 | 88.4 | 0 | 0 | 0 | 113.2 | N56 C57 K63 | N56-W59 PolarHBondContact O-N 3.45Å; C57-W59 VanDerWaalsContact C-N 3.3Å; C57-W59 PolarHBondContact O-N 3.24Å; W59-K63 HydrophobicContact CD2-CD 4.39Å; W59-K63 HydrophobicContact CE3-CD 4.26Å; W59-K63 HydrophobicContact CH2-CD 3.85Å; W59-K63 HydrophobicContact CZ2-CD 3.93Å; W59-K63 HydrophobicContact CZ3-CD 4Å; W59-K63 PolarHBondContact O-N 3.33Å; W59-K63 VanDerWaalsContact O-N 3.17Å |
| 60 | Y | 76.3 | Confident | 74.1 | Confident | 28 Ų | 28 | 65.4 Ų | 65.4 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 174.8 | -79.8 | -68.3 | 0 | 0 | 0 | 111.8 | N56 C57 K63 L64 W321 S324 F325 A328 | N56-Y60 HydrophobicContact CB-CD2 4.1Å; N56-Y60 HydrophobicContact CB-CE2 4.12Å; N56-Y60 WeakPolarHBondContact O-CD2 3.27Å; N56-Y60 PolarHBondContact O-N 2.75Å; C57-Y60 CarbonylContact O-C 3.57Å; C57-Y60 PolarHBondContact O-N 2.79Å; C57-Y60 VanDerWaalsContact O-N 3.15Å; Y60-K63 PolarHBondContact O-N 3.08Å; Y60-L64 WeakPolarHBondContact O-CB 3.45Å; Y60-L64 PolarHBondContact O-N 2.93Å; Y60-W321 AromaticContact CD1-NE1 3.87Å; Y60-W321 PolarHBondContact O-NE1 3.42Å; Y60-S324 PolarHBondContact OH-O 2.96Å; Y60-F325 HydrophobicContact CD1-CB 4.09Å; Y60-F325 HydrophobicContact CD1-CD2 4.06Å; Y60-F325 AromaticContact CD2-CD2 3.83Å; Y60-F325 HydrophobicContact CD2-CD2 3.83Å; Y60-F325 HydrophobicContact CD2-CE2 4.42Å; Y60-F325 HydrophobicContact CE1-CB 4.3Å; Y60-F325 HydrophobicContact CE2-CD2 4.48Å; Y60-F325 AromaticContact CG-CD2 3.63Å; Y60-F325 HydrophobicContact CG-CD2 3.63Å; Y60-F325 HydrophobicContact CG-CE2 4.34Å; Y60-F325 HydrophobicContact CG-CG 4.49Å; Y60-A328 HydrophobicContact CE2-CB 3.72Å |
| 61 | I | 76.8 | Confident | 75.6 | Confident | 9 Ų | 9 | 58.4 Ų | 58.4 | 5% | 0.046 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.1 | -43.3 | 178.7 | -64.6 | 154.2 | 0 | 0 | 0 | 110.3 | C57 E58 K63 L64 N65 L424 V431 F435 | C57-I61 HydrophobicContact CB-CD1 3.97Å; C57-I61 VanDerWaalsContact O-CB 3.32Å; C57-I61 WeakPolarHBondContact O-CB 3.44Å; C57-I61 WeakPolarHBondContact O-CD1 3.38Å; C57-I61 WeakPolarHBondContact O-CG1 3.48Å; C57-I61 PolarHBondContact O-N 2.89Å; E58-I61 PolarHBondContact O-N 3.28Å; I61-K63 VanDerWaalsContact C-N 3.32Å; I61-K63 PolarHBondContact O-N 3.21Å; I61-L64 CarbonylContact O-C 3.37Å; I61-L64 WeakPolarHBondContact O-CA 3.4Å; I61-L64 WeakPolarHBondContact O-CB 3.35Å; I61-L64 PolarHBondContact O-N 3.07Å; I61-N65 WeakPolarHBondContact O-CB 3.27Å; I61-N65 PolarHBondContact O-N 3.41Å; I61-L424 HydrophobicContact CD1-CD2 3.91Å; I61-V431 HydrophobicContact CD1-CG1 4.27Å; I61-V431 HydrophobicContact CD1-CG2 3.61Å; I61-V431 HydrophobicContact CG2-CG1 4.02Å; I61-F435 HydrophobicContact CG2-CE1 4.12Å; I61-F435 HydrophobicContact CG2-CZ 3.9Å |
| 62 | G | 76.8 | Confident | 77.3 | Confident | 35 Ų | 35 | 56.5 Ų | 56.5 | 36% | 0.361 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57.5 | -44.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E58 L64 N65 F66 | E58-G62 PolarHBondContact O-N 3.18Å; G62-L64 PolarHBondContact O-N 3.19Å; G62-N65 PolarHBondContact O-N 3.04Å; G62-F66 PolarHBondContact O-N 3.25Å |
| 63 | K | 80.8 | Confident | 78.8 | Confident | 104 Ų | 104 | 56.1 Ų | 56.1 | 45% | 0.452 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.9 | -35.9 | 172.9 | -76.7 | -166.7 | 167.5 | -170.6 | 0 | 113.5 | W59 Y60 I61 V67 | W59-K63 HydrophobicContact CD2-CD 4.39Å; W59-K63 HydrophobicContact CE3-CD 4.26Å; W59-K63 HydrophobicContact CH2-CD 3.85Å; W59-K63 HydrophobicContact CZ2-CD 3.93Å; W59-K63 HydrophobicContact CZ3-CD 4Å; W59-K63 PolarHBondContact O-N 3.33Å; W59-K63 VanDerWaalsContact O-N 3.17Å; Y60-K63 PolarHBondContact O-N 3.08Å; I61-K63 VanDerWaalsContact C-N 3.32Å; I61-K63 PolarHBondContact O-N 3.21Å; K63-V67 WeakPolarHBondContact O-CG2 3.4Å; K63-V67 PolarHBondContact O-N 3.42Å |
| 64 | L | 83.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.6 | -45.5 | 175.9 | -179 | 65.8 | 0 | 0 | 0 | 111.4 | Y60 I61 G62 F66 V67 L68 W321 L416 T420 F435 | Y60-L64 WeakPolarHBondContact O-CB 3.45Å; Y60-L64 PolarHBondContact O-N 2.93Å; I61-L64 CarbonylContact O-C 3.37Å; I61-L64 WeakPolarHBondContact O-CA 3.4Å; I61-L64 WeakPolarHBondContact O-CB 3.35Å; I61-L64 PolarHBondContact O-N 3.07Å; G62-L64 PolarHBondContact O-N 3.19Å; L64-F66 PolarHBondContact O-N 3.44Å; L64-V67 PolarHBondContact O-N 3.02Å; L64-L68 HydrophobicContact CD1-CD1 4.41Å; L64-L68 HydrophobicContact CD1-CG 4.14Å; L64-L68 HydrophobicContact CD2-CD1 4.22Å; L64-L68 HydrophobicContact CG-CD1 3.85Å; L64-L68 HydrophobicContact CG-CG 4.05Å; L64-L68 WeakPolarHBondContact O-CG 3.41Å; L64-L68 PolarHBondContact O-N 2.88Å; L64-W321 HydrophobicContact CB-CZ2 3.79Å; L64-W321 HydrophobicContact CD1-CD2 4.14Å; L64-W321 HydrophobicContact CD1-CE3 4.07Å; L64-W321 HydrophobicContact CD1-CH2 3.99Å; L64-W321 HydrophobicContact CD1-CZ2 4.02Å; L64-W321 HydrophobicContact CD1-CZ3 4.01Å; L64-W321 HydrophobicContact CD2-CH2 3.91Å; L64-W321 HydrophobicContact CD2-CZ2 3.86Å; L64-W321 HydrophobicContact CG-CH2 4.36Å; L64-W321 HydrophobicContact CG-CZ2 4.1Å; L64-L416 HydrophobicContact CD1-CB 4.21Å; L64-L416 HydrophobicContact CD1-CD1 4.22Å; L64-L416 HydrophobicContact CD1-CD2 4.46Å; L64-T420 HydrophobicContact CD2-CG2 3.58Å; L64-T420 WeakPolarHBondContact CD2-OG1 3.27Å; L64-F435 HydrophobicContact CD2-CE1 4.17Å |
| 65 | N | 82.1 | Confident | 81.9 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 10% | 0.102 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.6 | -41.3 | 178 | -74.9 | -6 | 0 | 0 | 0 | 110.7 | I61 G62 L68 Q69 F435 | I61-N65 WeakPolarHBondContact O-CB 3.27Å; I61-N65 PolarHBondContact O-N 3.41Å; G62-N65 PolarHBondContact O-N 3.04Å; N65-L68 PolarHBondContact O-N 3.27Å; N65-Q69 WeakPolarHBondContact O-CB 3.22Å; N65-Q69 VanDerWaalsContact O-CG 3.27Å; N65-Q69 WeakPolarHBondContact O-CG 3.44Å; N65-Q69 PolarHBondContact O-N 3.42Å; N65-F435 WeakPolarHBondContact OD1-CD1 3.4Å; N65-F435 VanDerWaalsContact OD1-CE1 3.24Å; N65-F435 WeakPolarHBondContact OD1-CE1 3.02Å |
| 66 | F | 85.3 | Confident | 83.3 | Confident | 90 Ų | 90 | 45.4 Ų | 45.4 | 40% | 0.395 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.7 | -50.1 | 171 | 179.7 | -89.7 | 0 | 0 | 0 | 112.5 | G62 L64 L68 Q69 Q70 | G62-F66 PolarHBondContact O-N 3.25Å; L64-F66 PolarHBondContact O-N 3.44Å; F66-L68 PolarHBondContact O-N 2.86Å; F66-Q69 PolarHBondContact O-N 3.3Å; F66-Q70 HydrophobicContact CD1-CG 4.14Å; F66-Q70 HydrophobicContact CE1-CG 3.66Å; F66-Q70 HydrophobicContact CE2-CG 4.16Å; F66-Q70 HydrophobicContact CZ-CG 3.67Å; F66-Q70 WeakPolarHBondContact O-CG 3.33Å; F66-Q70 PolarHBondContact O-N 2.91Å |
| 67 | V | 86 | Confident | 84.4 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 5% | 0.048 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 179.2 | 171.3 | 0 | 0 | 0 | 0 | 111.8 | K63 L64 Q70 F71 A318 L416 | K63-V67 WeakPolarHBondContact O-CG2 3.4Å; K63-V67 PolarHBondContact O-N 3.42Å; L64-V67 PolarHBondContact O-N 3.02Å; V67-Q70 PolarHBondContact O-N 3.48Å; V67-F71 HydrophobicContact CG1-CD2 4.38Å; V67-F71 HydrophobicContact CG1-CE1 4.15Å; V67-F71 HydrophobicContact CG1-CE2 3.96Å; V67-F71 HydrophobicContact CG1-CZ 3.85Å; V67-F71 WeakPolarHBondContact O-CG 3.44Å; V67-F71 PolarHBondContact O-N 3.26Å; V67-A318 HydrophobicContact CG1-CB 3.84Å; V67-L416 HydrophobicContact CG1-CD1 4.28Å |
| 68 | L | 88.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.2 | -48.7 | 177.5 | -69.9 | 175.2 | 0 | 0 | 0 | 111.5 | L64 N65 F66 Q70 F71 L72 H413 L416 L417 F435 | L64-L68 HydrophobicContact CD1-CD1 4.41Å; L64-L68 HydrophobicContact CD1-CG 4.14Å; L64-L68 HydrophobicContact CD2-CD1 4.22Å; L64-L68 HydrophobicContact CG-CD1 3.85Å; L64-L68 HydrophobicContact CG-CG 4.05Å; L64-L68 WeakPolarHBondContact O-CG 3.41Å; L64-L68 PolarHBondContact O-N 2.88Å; N65-L68 PolarHBondContact O-N 3.27Å; F66-L68 PolarHBondContact O-N 2.86Å; L68-Q70 PolarHBondContact O-N 2.94Å; L68-F71 PolarHBondContact O-N 2.92Å; L68-L72 PolarHBondContact O-N 2.98Å; L68-L72 VanDerWaalsContact O-N 3.14Å; L68-H413 WeakPolarHBondContact CD2-O 3.34Å; L68-H413 PolarHBondContact O-CD2 3.27Å; L68-L416 HydrophobicContact CD2-CB 3.81Å; L68-L416 HydrophobicContact CD2-CD1 4.46Å; L68-L417 HydrophobicContact CD1-CD1 4.11Å; L68-L417 HydrophobicContact CD2-CB 4.35Å; L68-F435 HydrophobicContact CD1-CD1 4.04Å; L68-F435 HydrophobicContact CD1-CE1 4.39Å |
| 69 | Q | 89.5 | Confident | 86.6 | Confident | 82 Ų | 82 | 43 Ų | 43 | 38% | 0.383 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.6 | -45.2 | 176.3 | -76.7 | -70.4 | 4.8 | 0 | 0 | 111.8 | N65 F66 F71 L72 I73 P436 | N65-Q69 WeakPolarHBondContact O-CB 3.22Å; N65-Q69 VanDerWaalsContact O-CG 3.27Å; N65-Q69 WeakPolarHBondContact O-CG 3.44Å; N65-Q69 PolarHBondContact O-N 3.42Å; F66-Q69 PolarHBondContact O-N 3.3Å; Q69-F71 VanDerWaalsContact C-N 3.33Å; Q69-F71 PolarHBondContact O-N 2.93Å; Q69-L72 PolarHBondContact O-N 3.06Å; Q69-I73 WeakPolarHBondContact O-CB 3.43Å; Q69-I73 VanDerWaalsContact O-CG1 3.25Å; Q69-I73 WeakPolarHBondContact O-CG1 3.49Å; Q69-I73 PolarHBondContact O-N 3.42Å; Q69-P436 HydrophobicContact CG-CG 4.35Å |
| 70 | Q | 89.9 | Confident | 87.2 | Confident | 53 Ų | 53 | 40 Ų | 40 | 25% | 0.248 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.6 | -37.8 | 177.3 | -70.3 | -54.7 | -42.5 | 0 | 0 | 112.4 | F66 V67 L68 I73 R74 M314 | F66-Q70 HydrophobicContact CD1-CG 4.14Å; F66-Q70 HydrophobicContact CE1-CG 3.66Å; F66-Q70 HydrophobicContact CE2-CG 4.16Å; F66-Q70 HydrophobicContact CZ-CG 3.67Å; F66-Q70 WeakPolarHBondContact O-CG 3.33Å; F66-Q70 PolarHBondContact O-N 2.91Å; V67-Q70 PolarHBondContact O-N 3.48Å; L68-Q70 PolarHBondContact O-N 2.94Å; Q70-I73 PolarHBondContact O-N 2.87Å; Q70-R74 WeakPolarHBondContact O-CB 3.36Å; Q70-R74 WeakPolarHBondContact O-CG 3.42Å; Q70-R74 PolarHBondContact O-N 3.06Å; Q70-M314 HydrophobicContact CB-CE 3.37Å; Q70-M314 HydrophobicContact CB-SD 3.97Å; Q70-M314 HydrophobicContact CG-CE 3.98Å; Q70-M314 HydrophobicContact CG-SD 4.23Å |
| 71 | F | 92.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.2 | -44.4 | 173.6 | -72.6 | -9.2 | 0 | 0 | 0 | 112.3 | V67 L68 Q69 R74 A75 M314 F315 A318 L346 Y409 M412 H413 L416 | V67-F71 HydrophobicContact CG1-CD2 4.38Å; V67-F71 HydrophobicContact CG1-CE1 4.15Å; V67-F71 HydrophobicContact CG1-CE2 3.96Å; V67-F71 HydrophobicContact CG1-CZ 3.85Å; V67-F71 WeakPolarHBondContact O-CG 3.44Å; V67-F71 PolarHBondContact O-N 3.26Å; L68-F71 PolarHBondContact O-N 2.92Å; Q69-F71 VanDerWaalsContact C-N 3.33Å; Q69-F71 PolarHBondContact O-N 2.93Å; F71-R74 PolarHBondContact O-N 3.05Å; F71-A75 VanDerWaalsContact O-CB 3.3Å; F71-A75 WeakPolarHBondContact O-CB 3.38Å; F71-A75 PolarHBondContact O-N 3.45Å; F71-M314 HydrophobicContact CD1-CE 4.4Å; F71-M314 HydrophobicContact CE1-CB 4.09Å; F71-M314 HydrophobicContact CE1-CE 4.34Å; F71-F315 HydrophobicContact CE1-CD2 4.06Å; F71-F315 AromaticContact CE1-CE2 3.91Å; F71-F315 HydrophobicContact CE1-CE2 3.91Å; F71-F315 HydrophobicContact CZ-CD2 4.3Å; F71-F315 HydrophobicContact CZ-CE2 4.11Å; F71-F315 HydrophobicContact CZ-CZ 4.43Å; F71-A318 HydrophobicContact CE2-CB 4.5Å; F71-A318 HydrophobicContact CZ-CB 3.81Å; F71-L346 HydrophobicContact CZ-CD2 4.48Å; F71-Y409 HydrophobicContact CB-CD1 4.34Å; F71-Y409 AromaticContact CD1-CD1 3.61Å; F71-Y409 HydrophobicContact CD1-CD1 3.61Å; F71-Y409 HydrophobicContact CD1-CE1 4.12Å; F71-Y409 HydrophobicContact CE1-CD1 4.16Å; F71-Y409 HydrophobicContact CE1-CE1 4.47Å; F71-Y409 HydrophobicContact CG-CD1 4.16Å; F71-Y409 WeakPolarHBondContact O-CB 3.36Å; F71-M412 HydrophobicContact CD2-CB 4.06Å; F71-M412 HydrophobicContact CE2-CB 3.55Å; F71-M412 HydrophobicContact CZ-CB 4.27Å; F71-H413 HydrophobicContact CB-CB 4.15Å; F71-H413 HydrophobicContact CD2-CB 4.28Å; F71-L416 HydrophobicContact CE2-CD1 3.77Å |
| 72 | L | 93.1 | Very high | 88.1 | Confident | 62 Ų | 62 | 40.1 Ų | 40.1 | 33% | 0.325 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64 | -44.6 | 175.4 | -66.1 | -179.8 | 0 | 0 | 0 | 112 | L68 Q69 R74 A75 S76 H413 | L68-L72 PolarHBondContact O-N 2.98Å; L68-L72 VanDerWaalsContact O-N 3.14Å; Q69-L72 PolarHBondContact O-N 3.06Å; L72-R74 PolarHBondContact O-N 3.15Å; L72-A75 PolarHBondContact O-N 2.96Å; L72-S76 PolarHBondContact O-N 2.82Å; L72-H413 HydrophobicContact CD2-CB 4.48Å |
| 73 | I | 92.3 | Very high | 88.5 | Confident | 63 Ų | 63 | 45.2 Ų | 45.2 | 32% | 0.323 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 178 | -68.2 | 164.9 | 0 | 0 | 0 | 111.2 | Q69 Q70 K77 | Q69-I73 WeakPolarHBondContact O-CB 3.43Å; Q69-I73 VanDerWaalsContact O-CG1 3.25Å; Q69-I73 WeakPolarHBondContact O-CG1 3.49Å; Q69-I73 PolarHBondContact O-N 3.42Å; Q70-I73 PolarHBondContact O-N 2.87Å; I73-K77 HydrophobicContact CG2-CD 4.21Å; I73-K77 WeakPolarHBondContact O-CG 3.47Å; I73-K77 PolarHBondContact O-N 3.36Å |
| 74 | R | 93.1 | Very high | 88.4 | Confident | 14 Ų | 14 | 45.9 Ų | 45.9 | 5% | 0.053 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69 | -41.1 | 175.9 | -65 | -44.5 | -59.1 | -172 | 4.9 | 112.1 | Q70 F71 L72 S76 K77 V78 E307 I310 Y409 | Q70-R74 WeakPolarHBondContact O-CB 3.36Å; Q70-R74 WeakPolarHBondContact O-CG 3.42Å; Q70-R74 PolarHBondContact O-N 3.06Å; F71-R74 PolarHBondContact O-N 3.05Å; L72-R74 PolarHBondContact O-N 3.15Å; R74-S76 VanDerWaalsContact C-N 3.3Å; R74-S76 PolarHBondContact O-N 3.48Å; R74-K77 PolarHBondContact O-N 3.01Å; R74-V78 WeakPolarHBondContact O-CG2 3.19Å; R74-V78 PolarHBondContact O-N 2.79Å; R74-E307 IonicContact CZ-OE1 3.86Å; R74-E307 IonicContact CZ-OE2 2.76Å; R74-E307 IonicContact NE-OE1 3.69Å; R74-E307 PolarHBondContact NE-OE1 2.83Å; R74-E307 VanDerWaalsContact NE-OE1 3.1Å; R74-E307 IonicContact NE-OE2 2.77Å; R74-E307 IonicContact NH2-OE1 2.72Å; R74-E307 PolarHBondContact NH2-OE1 3.02Å; R74-E307 IonicContact NH2-OE2 2.86Å; R74-E307 PolarHBondContact NH2-OE2 3.13Å; R74-I310 HydrophobicContact CG-CG2 4.1Å; R74-Y409 HydrophobicContact CB-CD1 4.14Å; R74-Y409 HydrophobicContact CB-CD2 3.74Å; R74-Y409 HydrophobicContact CB-CE1 3.81Å; R74-Y409 HydrophobicContact CB-CE2 3.39Å; R74-Y409 HydrophobicContact CB-CG 4.11Å; R74-Y409 HydrophobicContact CG-CE1 4.08Å; R74-Y409 HydrophobicContact CG-CE2 4.27Å |
| 75 | A | 94.1 | Very high | 88.1 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 7% | 0.066 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.5 | -43.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F71 L72 N79 R406 V410 | F71-A75 VanDerWaalsContact O-CB 3.3Å; F71-A75 WeakPolarHBondContact O-CB 3.38Å; F71-A75 PolarHBondContact O-N 3.45Å; L72-A75 PolarHBondContact O-N 2.96Å; A75-N79 PolarHBondContact O-N 3.23Å; A75-R406 HydrophobicContact CB-CG 4.36Å; A75-V410 HydrophobicContact CB-CG2 3.82Å |
| 76 | S | 92.7 | Very high | 87.7 | Confident | 51 Ų | 51 | 48.6 Ų | 48.6 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.8 | -53 | 173.7 | -163.3 | 0 | 0 | 0 | 0 | 111.3 | L72 R74 V78 N79 D80 | L72-S76 PolarHBondContact O-N 2.82Å; R74-S76 VanDerWaalsContact C-N 3.3Å; R74-S76 PolarHBondContact O-N 3.48Å; S76-V78 VanDerWaalsContact C-N 3.28Å; S76-V78 PolarHBondContact O-N 2.8Å; S76-N79 CarbonylContact O-C 3.55Å; S76-N79 WeakPolarHBondContact O-CA 3.27Å; S76-N79 WeakPolarHBondContact O-CB 3.22Å; S76-N79 PolarHBondContact O-N 2.75Å; S76-D80 VanDerWaalsContact O-CG 3.23Å; S76-D80 PolarHBondContact O-N 3.26Å |
| 77 | K | 90 | Very high | 87.2 | Confident | 91 Ų | 91 | 49 Ų | 49 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57 | -38.4 | -179.7 | -75.2 | 178.3 | 177.1 | -175.6 | 0 | 113.2 | I73 R74 D80 I81 | I73-K77 HydrophobicContact CG2-CD 4.21Å; I73-K77 WeakPolarHBondContact O-CG 3.47Å; I73-K77 PolarHBondContact O-N 3.36Å; R74-K77 PolarHBondContact O-N 3.01Å; K77-D80 PolarHBondContact O-N 3.05Å; K77-I81 VanDerWaalsContact O-CG1 3.31Å; K77-I81 WeakPolarHBondContact O-CG1 3.19Å; K77-I81 PolarHBondContact O-N 3.13Å |
| 78 | V | 91.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.6 | -33.1 | 175.1 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | R74 S76 I81 L82 E307 L402 R406 Y409 | R74-V78 WeakPolarHBondContact O-CG2 3.19Å; R74-V78 PolarHBondContact O-N 2.79Å; S76-V78 VanDerWaalsContact C-N 3.28Å; S76-V78 PolarHBondContact O-N 2.8Å; V78-I81 PolarHBondContact O-N 3.36Å; V78-L82 HydrophobicContact CG1-CD1 4.03Å; V78-L82 HydrophobicContact CG1-CG 4.48Å; V78-L82 WeakPolarHBondContact O-CB 3.5Å; V78-L82 VanDerWaalsContact O-CG 3.26Å; V78-L82 WeakPolarHBondContact O-CG 3.39Å; V78-L82 PolarHBondContact O-N 2.9Å; V78-E307 HydrophobicContact CG2-CG 3.64Å; V78-E307 WeakPolarHBondContact CG2-OE2 3.44Å; V78-L402 HydrophobicContact CG1-CB 3.91Å; V78-L402 HydrophobicContact CG1-CD2 4.12Å; V78-L402 VanDerWaalsContact CG1-O 3.29Å; V78-L402 WeakPolarHBondContact CG1-O 3.23Å; V78-R406 HydrophobicContact CB-CB 4.09Å; V78-R406 HydrophobicContact CB-CG 4.42Å; V78-R406 HydrophobicContact CG1-CB 3.76Å; V78-R406 HydrophobicContact CG1-CG 4.46Å; V78-Y409 HydrophobicContact CG2-CE2 4.36Å |
| 79 | N | 91.6 | Very high | 86.6 | Confident | 47 Ų | 47 | 58.8 Ų | 58.8 | 25% | 0.251 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.6 | -43.5 | 173.2 | -148.3 | 74.8 | 0 | 0 | 0 | 111.4 | A75 S76 I81 L82 E83 R406 | A75-N79 PolarHBondContact O-N 3.23Å; S76-N79 CarbonylContact O-C 3.55Å; S76-N79 WeakPolarHBondContact O-CA 3.27Å; S76-N79 WeakPolarHBondContact O-CB 3.22Å; S76-N79 PolarHBondContact O-N 2.75Å; N79-I81 VanDerWaalsContact C-N 3.29Å; N79-I81 PolarHBondContact O-N 2.98Å; N79-L82 CarbonylContact O-C 3.56Å; N79-L82 PolarHBondContact O-N 2.92Å; N79-E83 PolarHBondContact ND2-OE1 2.93Å; N79-E83 WeakPolarHBondContact O-CG 3.46Å; N79-E83 PolarHBondContact O-N 3.05Å; N79-R406 WeakPolarHBondContact OD1-CD 3.38Å; N79-R406 PolarHBondContact OD1-NH1 2.88Å |
| 80 | D | 86.3 | Confident | 86.3 | Confident | 76 Ų | 76 | 55.8 Ų | 55.8 | 41% | 0.406 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.8 | -41.5 | 174.3 | -53.7 | -25.6 | 0 | 0 | 0 | 111.1 | S76 K77 N84 | S76-D80 VanDerWaalsContact O-CG 3.23Å; S76-D80 PolarHBondContact O-N 3.26Å; K77-D80 PolarHBondContact O-N 3.05Å; D80-N84 PolarHBondContact O-N 2.86Å; D80-N84 PolarHBondContact O-ND2 2.85Å |
| 81 | I | 85.3 | Confident | 86.1 | Confident | 22 Ų | 22 | 53.7 Ų | 53.7 | 11% | 0.113 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.2 | -52.6 | 172 | -68.2 | 164.1 | 0 | 0 | 0 | 109.8 | K77 V78 N79 E83 N84 F85 L303 W306 L402 | K77-I81 VanDerWaalsContact O-CG1 3.31Å; K77-I81 WeakPolarHBondContact O-CG1 3.19Å; K77-I81 PolarHBondContact O-N 3.13Å; V78-I81 PolarHBondContact O-N 3.36Å; N79-I81 VanDerWaalsContact C-N 3.29Å; N79-I81 PolarHBondContact O-N 2.98Å; I81-E83 PolarHBondContact O-N 2.77Å; I81-N84 PolarHBondContact O-N 2.8Å; I81-F85 HydrophobicContact CG2-CD2 4.07Å; I81-F85 HydrophobicContact CG2-CE2 4.27Å; I81-F85 WeakPolarHBondContact O-CD2 3.49Å; I81-F85 PolarHBondContact O-N 3.3Å; I81-L303 HydrophobicContact CD1-CD2 4.02Å; I81-L303 HydrophobicContact CG1-CD2 4.26Å; I81-L303 HydrophobicContact CG2-CD1 4.12Å; I81-W306 HydrophobicContact CD1-CZ3 4.36Å; I81-L402 HydrophobicContact CG2-CD1 3.84Å |
| 82 | L | 86.2 | Confident | 85.8 | Confident | 18 Ų | 18 | 56.9 Ų | 56.9 | 9% | 0.094 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.5 | -23.9 | -177.2 | -74.4 | 167.2 | 0 | 0 | 0 | 114.4 | V78 N79 C399 L402 R403 | V78-L82 HydrophobicContact CG1-CD1 4.03Å; V78-L82 HydrophobicContact CG1-CG 4.48Å; V78-L82 WeakPolarHBondContact O-CB 3.5Å; V78-L82 VanDerWaalsContact O-CG 3.26Å; V78-L82 WeakPolarHBondContact O-CG 3.39Å; V78-L82 PolarHBondContact O-N 2.9Å; N79-L82 CarbonylContact O-C 3.56Å; N79-L82 PolarHBondContact O-N 2.92Å; L82-C399 HydrophobicContact CD2-CB 4.34Å; L82-C399 WeakPolarHBondContact CD2-O 3.49Å; L82-L402 HydrophobicContact CD1-CB 4.29Å; L82-L402 HydrophobicContact CD2-CB 3.88Å; L82-L402 HydrophobicContact CD2-CD1 4.27Å; L82-L402 HydrophobicContact CG-CB 4.14Å; L82-R403 HydrophobicContact CD1-CB 4.45Å; L82-R403 HydrophobicContact CD1-CG 3.55Å; L82-R403 HydrophobicContact CD2-CG 4.03Å; L82-R403 HydrophobicContact CG-CG 4.46Å |
| 83 | E | 84.8 | Confident | 85.3 | Confident | 141 Ų | 141 | 56.8 Ų | 56.8 | 66% | 0.659 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -76.6 | -27.8 | 172.9 | -74.4 | 175.9 | -159.2 | 0 | 0 | 112.6 | N79 I81 | N79-E83 PolarHBondContact ND2-OE1 2.93Å; N79-E83 WeakPolarHBondContact O-CG 3.46Å; N79-E83 PolarHBondContact O-N 3.05Å; I81-E83 PolarHBondContact O-N 2.77Å |
| 84 | N | 77.9 | Confident | 84.8 | Confident | 118 Ų | 118 | 59.9 Ų | 59.9 | 63% | 0.631 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -82.7 | -16.1 | 176.4 | -75.4 | -75.1 | 0 | 0 | 0 | 113.6 | D80 I81 | D80-N84 PolarHBondContact O-N 2.86Å; D80-N84 PolarHBondContact O-ND2 2.85Å; I81-N84 PolarHBondContact O-N 2.8Å |
| 85 | F | 77.1 | Confident | 84.2 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 4% | 0.039 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -103.8 | 108 | 175.5 | -77.7 | -90 | 0 | 0 | 0 | 111 | I81 L259 L300 L303 Y395 | I81-F85 HydrophobicContact CG2-CD2 4.07Å; I81-F85 HydrophobicContact CG2-CE2 4.27Å; I81-F85 WeakPolarHBondContact O-CD2 3.49Å; I81-F85 PolarHBondContact O-N 3.3Å; F85-L259 HydrophobicContact CE1-CD2 3.73Å; F85-L259 HydrophobicContact CZ-CD2 4.15Å; F85-L300 HydrophobicContact CB-CD2 4.47Å; F85-L300 HydrophobicContact CD1-CD1 4.06Å; F85-L300 HydrophobicContact CD1-CD2 3.55Å; F85-L300 HydrophobicContact CD1-CG 3.69Å; F85-L300 HydrophobicContact CD2-CD2 3.96Å; F85-L300 HydrophobicContact CE1-CD1 4.35Å; F85-L300 HydrophobicContact CE1-CD2 3.66Å; F85-L300 HydrophobicContact CE1-CG 3.57Å; F85-L300 HydrophobicContact CE2-CD2 4.09Å; F85-L300 HydrophobicContact CG-CD2 3.7Å; F85-L300 HydrophobicContact CG-CG 4.36Å; F85-L300 HydrophobicContact CZ-CD2 3.94Å; F85-L300 HydrophobicContact CZ-CG 4.18Å; F85-L303 HydrophobicContact CD2-CD1 4.36Å; F85-L303 HydrophobicContact CE2-CD1 3.31Å; F85-L303 HydrophobicContact CZ-CD1 3.52Å; F85-Y395 HydrophobicContact CD1-CE2 4.04Å |
| 86 | P | 73.6 | Confident | 83.4 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 44% | 0.435 | 32% | 0.319 | S | S | . | . | trans | -60.3 | 151.4 | -178.4 | 23.7 | -32.2 | 0 | 0 | 0 | 111.8 | E88 Y395 | P86-E88 VanDerWaalsContact C-N 3.31Å; P86-E88 CarbonylContact C-O 3.51Å; P86-E88 WeakPolarHBondContact CB-O 3.46Å; P86-E88 WeakPolarHBondContact CG-O 3.46Å; P86-E88 VanDerWaalsContact O-O 3.14Å; P86-Y395 WeakPolarHBondContact CD-OH 3.5Å; P86-Y395 WeakPolarHBondContact O-CE1 3.49Å; P86-Y395 PolarHBondContact O-OH 3.05Å | ||
| 87 | T | 74.5 | Confident | 82.7 | Confident | 99 Ų | 99 | 61 Ų | 61 | 61% | 0.607 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -71.9 | -30.7 | 175 | -61.9 | 0 | 0 | 0 | 0 | 111.2 | H396 | T87-H396 PolarHBondContact O-CE1 3.35Š|
| 88 | E | 79.3 | Confident | 82.1 | Confident | 164 Ų | 164 | 58.9 Ų | 58.9 | 77% | 0.766 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -74 | 144.5 | 162.9 | -65.7 | 176.3 | 179.1 | 0 | 0 | 109.8 | P86 | P86-E88 VanDerWaalsContact C-N 3.31Å; P86-E88 CarbonylContact C-O 3.51Å; P86-E88 WeakPolarHBondContact CB-O 3.46Å; P86-E88 WeakPolarHBondContact CG-O 3.46Å; P86-E88 VanDerWaalsContact O-O 3.14Å |
| 89 | M | 84.1 | Confident | 81.4 | Confident | 50 Ų | 50 | 59.9 Ų | 59.9 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | trans | -72.1 | 138.2 | -179.9 | -64.6 | 172.9 | -72.2 | 0 | 0 | 110.3 | F91 Y388 A392 Y395 | M89-F91 HydrophobicContact CB-CD1 4.48Å; M89-F91 HydrophobicContact CB-CE1 4.29Å; M89-F91 HydrophobicContact CB-CE2 4.49Å; M89-F91 HydrophobicContact CB-CZ 4.29Å; M89-F91 HydrophobicContact CG-CZ 4.34Å; M89-F91 PolarHBondContact O-N 3.16Å; M89-F91 HydrophobicContact SD-CE2 4.15Å; M89-F91 HydrophobicContact SD-CZ 4.1Å; M89-Y388 WeakPolarHBondContact CE-OH 3.49Å; M89-A392 HydrophobicContact CE-CB 4Å; M89-A392 WeakPolarHBondContact SD-CA 3.4Å; M89-A392 HydrophobicContact SD-CB 3.22Å; M89-A392 WeakPolarHBondContact SD-CB 3.43Å; M89-Y395 HydrophobicContact CG-CD1 3.82Å; M89-Y395 HydrophobicContact CG-CE1 4.24Å; M89-Y395 HydrophobicContact CG-CG 4.4Å | ||
| 90 | P | 82.4 | Confident | 80.7 | Confident | 19 Ų | 19 | 57.6 Ų | 57.6 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -77 | -4.9 | 179.9 | 31.5 | -35.9 | 0 | 0 | 0 | 113.7 | R255 L259 S296 Y395 | P90-R255 PolarHBondContact O-NH1 3.24Å; P90-L259 HydrophobicContact CB-CD1 4.28Å; P90-L259 HydrophobicContact CG-CD1 4.23Å; P90-S296 VanDerWaalsContact CG-OG 3.27Å; P90-S296 WeakPolarHBondContact CG-OG 3.39Å; P90-Y395 HydrophobicContact CG-CE2 4.01Å |
| 91 | F | 85.8 | Confident | 80.1 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 4% | 0.039 | 30% | 0.295 | C | S | . | . | trans | -123.8 | 159.5 | -178.7 | 58.5 | -94.5 | 0 | 0 | 0 | 111.5 | M89 D95 N294 V297 Y388 D391 A392 Y395 | M89-F91 HydrophobicContact CB-CD1 4.48Å; M89-F91 HydrophobicContact CB-CE1 4.29Å; M89-F91 HydrophobicContact CB-CE2 4.49Å; M89-F91 HydrophobicContact CB-CZ 4.29Å; M89-F91 HydrophobicContact CG-CZ 4.34Å; M89-F91 PolarHBondContact O-N 3.16Å; M89-F91 HydrophobicContact SD-CE2 4.15Å; M89-F91 HydrophobicContact SD-CZ 4.1Å; F91-D95 WeakPolarHBondContact CA-OD2 3.41Å; F91-D95 HydrophobicContact CB-CB 4.15Å; F91-D95 VanDerWaalsContact CB-OD2 3.26Å; F91-D95 WeakPolarHBondContact CB-OD2 3.33Å; F91-N294 WeakPolarHBondContact CD1-ND2 3.48Å; F91-N294 WeakPolarHBondContact CD2-ND2 3.35Å; F91-N294 WeakPolarHBondContact CE1-ND2 3.37Å; F91-N294 WeakPolarHBondContact CE2-ND2 3.36Å; F91-N294 WeakPolarHBondContact CG-ND2 3.48Å; F91-V297 HydrophobicContact CE1-CG2 4.36Å; F91-V297 HydrophobicContact CZ-CG2 4.37Å; F91-Y388 HydrophobicContact CD2-CD2 4.24Å; F91-Y388 AromaticContact CD2-CE2 3.98Å; F91-Y388 HydrophobicContact CD2-CE2 3.98Å; F91-Y388 HydrophobicContact CE2-CD2 4.31Å; F91-Y388 HydrophobicContact CE2-CE2 4.1Å; F91-D391 HydrophobicContact CE2-CB 4.23Å; F91-D391 HydrophobicContact CZ-CB 4.31Å; F91-A392 HydrophobicContact CE2-CB 4.48Å; F91-Y395 AromaticContact CE1-CD2 3.93Å; F91-Y395 HydrophobicContact CE1-CD2 3.93Å; F91-Y395 HydrophobicContact CE1-CG 4.13Å; F91-Y395 HydrophobicContact CZ-CG 4.47Å | ||
| 92 | D | 86 | Confident | 79 | Confident | 66 Ų | 66 | 55.4 Ų | 55.4 | 35% | 0.353 | 29% | 0.294 | S | S | . | . | trans | -128.1 | -177.8 | -178.7 | 70.1 | 41 | 0 | 0 | 0 | 112.3 | D94 D95 Y388 | D92-D94 VanDerWaalsContact C-N 3.29Å; D92-D94 PolarHBondContact O-N 3.47Å; D92-D94 WeakPolarHBondContact OD1-CB 3.35Å; D92-D94 PolarHBondContact OD1-N 2.93Å; D92-D95 PolarHBondContact N-OD2 3.5Å; D92-D95 WeakPolarHBondContact O-CB 3.3Å; D92-D95 PolarHBondContact O-N 3.26Å; D92-D95 PolarHBondContact OD1-N 2.96Å; D92-Y388 WeakPolarHBondContact O-CD2 3.47Å | ||
| 93 | P | 82.3 | Confident | 77.6 | Confident | 60 Ų | 60 | 57.5 Ų | 57.5 | 39% | 0.39 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.5 | -26.3 | -179.4 | -25.5 | 36.3 | 0 | 0 | 0 | 115.2 | D95 A96 D97 Y388 | P93-D95 VanDerWaalsContact C-N 3.29Å; P93-A96 PolarHBondContact O-N 2.81Å; P93-D97 PolarHBondContact O-N 3.17Å; P93-Y388 HydrophobicContact CB-CD2 4.34Å; P93-Y388 HydrophobicContact CB-CG 4.28Å; P93-Y388 HydrophobicContact CG-CD1 4.09Å; P93-Y388 HydrophobicContact CG-CD2 4.15Å; P93-Y388 HydrophobicContact CG-CE1 3.96Å; P93-Y388 HydrophobicContact CG-CE2 4.03Å; P93-Y388 HydrophobicContact CG-CG 4.18Å |
| 94 | D | 82.1 | Confident | 76.2 | Confident | 128 Ų | 128 | 54.8 Ų | 54.8 | 68% | 0.684 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -71.4 | -31 | 179.2 | -64.2 | -10.9 | 0 | 0 | 0 | 109.8 | D92 A96 D97 F98 | D92-D94 VanDerWaalsContact C-N 3.29Å; D92-D94 PolarHBondContact O-N 3.47Å; D92-D94 WeakPolarHBondContact OD1-CB 3.35Å; D92-D94 PolarHBondContact OD1-N 2.93Å; D94-A96 VanDerWaalsContact C-N 3.32Å; D94-A96 PolarHBondContact O-N 3.13Å; D94-D97 PolarHBondContact O-N 3.44Å; D94-F98 PolarHBondContact O-N 2.78Å |
| 95 | D | 81.2 | Confident | 75 | Confident | 13 Ų | 13 | 55.2 Ų | 55.2 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.5 | -36 | 171 | -66.1 | -44.7 | 0 | 0 | 0 | 112.6 | F91 D92 P93 F98 Y99 M252 | F91-D95 WeakPolarHBondContact CA-OD2 3.41Å; F91-D95 HydrophobicContact CB-CB 4.15Å; F91-D95 VanDerWaalsContact CB-OD2 3.26Å; F91-D95 WeakPolarHBondContact CB-OD2 3.33Å; D92-D95 PolarHBondContact N-OD2 3.5Å; D92-D95 WeakPolarHBondContact O-CB 3.3Å; D92-D95 PolarHBondContact O-N 3.26Å; D92-D95 PolarHBondContact OD1-N 2.96Å; P93-D95 VanDerWaalsContact C-N 3.29Å; D95-F98 WeakPolarHBondContact O-CB 3.49Å; D95-F98 PolarHBondContact O-N 3.28Å; D95-Y99 HydrophobicContact CB-CD2 4.41Å; D95-Y99 HydrophobicContact CB-CE2 3.88Å; D95-Y99 WeakPolarHBondContact O-CD2 3.42Å; D95-Y99 VanDerWaalsContact O-CG 3.24Å; D95-Y99 PolarHBondContact O-N 3.48Å; D95-M252 WeakPolarHBondContact OD1-CE 3.36Å; D95-M252 WeakPolarHBondContact OD2-CE 3.39Å |
| 96 | A | 76.9 | Confident | 73.6 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69 | -39.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P93 D94 F98 Y99 M100 V384 Y388 | P93-A96 PolarHBondContact O-N 2.81Å; D94-A96 VanDerWaalsContact C-N 3.32Å; D94-A96 PolarHBondContact O-N 3.13Å; A96-F98 VanDerWaalsContact C-N 3.31Å; A96-Y99 PolarHBondContact O-N 3.48Å; A96-M100 WeakPolarHBondContact O-CB 3.32Å; A96-M100 WeakPolarHBondContact O-CG 3.3Å; A96-M100 PolarHBondContact O-N 3.12Å; A96-M100 VanDerWaalsContact O-N 3.08Å; A96-V384 HydrophobicContact CB-CG1 4.27Å; A96-Y388 HydrophobicContact CB-CD2 4.41Å; A96-Y388 HydrophobicContact CB-CG 4.49Å |
| 97 | D | 78.4 | Confident | 72.1 | Confident | 79 Ų | 79 | 59.3 Ų | 59.3 | 42% | 0.422 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 172.4 | -163.5 | 34.5 | 0 | 0 | 0 | 110.3 | P93 D94 M100 L101 V384 | P93-D97 PolarHBondContact O-N 3.17Å; D94-D97 PolarHBondContact O-N 3.44Å; D97-M100 CarbonylContact O-C 3.55Å; D97-M100 WeakPolarHBondContact O-CA 3.09Å; D97-M100 WeakPolarHBondContact O-CB 3.36Å; D97-M100 PolarHBondContact O-N 2.8Å; D97-M100 VanDerWaalsContact O-N 3.1Å; D97-L101 PolarHBondContact O-N 3.18Å; D97-V384 HydrophobicContact CB-CG1 3.79Å |
| 98 | F | 77.8 | Confident | 70.4 | Confident | 47 Ų | 47 | 61.4 Ų | 61.4 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.6 | -48.2 | 175.9 | -179.6 | -94 | 0 | 0 | 0 | 113.3 | D94 D95 A96 M100 L101 F109 I110 | D94-F98 PolarHBondContact O-N 2.78Å; D95-F98 WeakPolarHBondContact O-CB 3.49Å; D95-F98 PolarHBondContact O-N 3.28Å; A96-F98 VanDerWaalsContact C-N 3.31Å; F98-M100 PolarHBondContact O-N 2.88Å; F98-L101 WeakPolarHBondContact O-CB 3.46Å; F98-L101 PolarHBondContact O-N 2.9Å; F98-F109 HydrophobicContact CE2-CB 3.97Å; F98-F109 AromaticContact CE2-CD1 3.94Å; F98-F109 HydrophobicContact CE2-CD1 3.94Å; F98-F109 HydrophobicContact CE2-CG 4.33Å; F98-F109 HydrophobicContact CZ-CB 4.48Å; F98-F109 WeakPolarHBondContact CZ-O 3.29Å; F98-I110 HydrophobicContact CE1-CG1 4.35Å; F98-I110 HydrophobicContact CZ-CG1 3.88Å |
| 99 | Y | 75.5 | Confident | 68.4 | Low | 21 Ų | 21 | 59.2 Ų | 59.2 | 8% | 0.082 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.3 | -11.9 | 177.1 | -58.4 | -41.7 | 0 | 0 | 0 | 113.5 | D95 A96 S292 N294 P295 | D95-Y99 HydrophobicContact CB-CD2 4.41Å; D95-Y99 HydrophobicContact CB-CE2 3.88Å; D95-Y99 WeakPolarHBondContact O-CD2 3.42Å; D95-Y99 VanDerWaalsContact O-CG 3.24Å; D95-Y99 PolarHBondContact O-N 3.48Å; A96-Y99 PolarHBondContact O-N 3.48Å; Y99-S292 WeakPolarHBondContact CA-OG 3.41Å; Y99-S292 WeakPolarHBondContact CD1-OG 3.48Å; Y99-N294 HydrophobicContact CD2-CB 4.35Å; Y99-N294 HydrophobicContact CE2-CB 4.37Å; Y99-P295 VanDerWaalsContact OH-CD 3.27Å; Y99-P295 WeakPolarHBondContact OH-CD 3.47Å; Y99-P295 WeakPolarHBondContact OH-CG 3.22Å |
| 100 | M | 78.1 | Confident | 66.2 | Low | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 2.9 | 172.3 | -71.6 | 179 | 61.9 | 0 | 0 | 113.5 | A96 D97 F98 F291 L371 Y374 L383 V384 V387 | A96-M100 WeakPolarHBondContact O-CB 3.32Å; A96-M100 WeakPolarHBondContact O-CG 3.3Å; A96-M100 PolarHBondContact O-N 3.12Å; A96-M100 VanDerWaalsContact O-N 3.08Å; D97-M100 CarbonylContact O-C 3.55Å; D97-M100 WeakPolarHBondContact O-CA 3.09Å; D97-M100 WeakPolarHBondContact O-CB 3.36Å; D97-M100 PolarHBondContact O-N 2.8Å; D97-M100 VanDerWaalsContact O-N 3.1Å; F98-M100 PolarHBondContact O-N 2.88Å; M100-F291 VanDerWaalsContact O-CE1 3.27Å; M100-F291 WeakPolarHBondContact O-CE1 3.47Å; M100-L371 HydrophobicContact CE-CD2 4.43Å; M100-L371 HydrophobicContact CG-CD2 3.7Å; M100-L371 HydrophobicContact SD-CD2 4.49Å; M100-Y374 HydrophobicContact CB-CD1 4.36Å; M100-Y374 HydrophobicContact CB-CE1 4.02Å; M100-Y374 HydrophobicContact CE-CD1 3.59Å; M100-Y374 HydrophobicContact CE-CD2 3.37Å; M100-Y374 HydrophobicContact CE-CE1 4.05Å; M100-Y374 HydrophobicContact CE-CE2 3.85Å; M100-Y374 HydrophobicContact CE-CG 3.21Å; M100-Y374 VanDerWaalsContact O-CE1 3.22Å; M100-Y374 WeakPolarHBondContact O-CE1 3.33Å; M100-L383 HydrophobicContact CE-CB 4.49Å; M100-V384 HydrophobicContact CE-CG2 3.92Å; M100-V384 HydrophobicContact SD-CB 4.19Å; M100-V384 HydrophobicContact SD-CG1 4.29Å; M100-V384 HydrophobicContact SD-CG2 4.04Å; M100-V387 HydrophobicContact CE-CG2 4.17Å; M100-V387 HydrophobicContact CG-CG1 4.32Å; M100-V387 HydrophobicContact SD-CB 3.54Å; M100-V387 VanDerWaalsContact SD-CB 3.54Å; M100-V387 HydrophobicContact SD-CG1 3.94Å; M100-V387 HydrophobicContact SD-CG2 3.55Å; M100-V387 VanDerWaalsContact SD-CG2 3.55Å |
| 101 | L | 72 | Confident | 63.9 | Low | 38 Ų | 38 | 61 Ų | 61 | 20% | 0.199 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -81.8 | 127.4 | 169.6 | -61 | -178.5 | 0 | 0 | 0 | 110.9 | D97 F98 F103 F106 | D97-L101 PolarHBondContact O-N 3.18Å; F98-L101 WeakPolarHBondContact O-CB 3.46Å; F98-L101 PolarHBondContact O-N 2.9Å; L101-F103 PolarHBondContact O-N 2.96Å; L101-F106 HydrophobicContact CB-CD2 3.81Å; L101-F106 HydrophobicContact CB-CE2 4.21Å; L101-F106 HydrophobicContact CD1-CD2 4.18Å; L101-F106 HydrophobicContact CD1-CE2 4.36Å; L101-F106 HydrophobicContact CD1-CG 4.32Å; L101-F106 HydrophobicContact CD2-CD2 4.32Å; L101-F106 HydrophobicContact CD2-CE2 3.87Å; L101-F106 HydrophobicContact CD2-CZ 4.35Å; L101-F106 HydrophobicContact CG-CD2 4.32Å; L101-F106 HydrophobicContact CG-CE2 4.37Å |
| 102 | P | 62.4 | Low | 61.1 | Low | 13 Ų | 13 | 68.4 Ų | 68.4 | 8% | 0.084 | 35% | 0.352 | C | S | . | . | trans | -62.9 | 130.5 | 175.4 | -23.8 | 34.4 | 0 | 0 | 0 | 112.1 | E104 K105 F106 H289 N290 F291 | P102-E104 VanDerWaalsContact C-N 3.26Å; P102-E104 PolarHBondContact O-N 3.34Å; P102-K105 HydrophobicContact CB-CB 4.48Å; P102-K105 HydrophobicContact CB-CD 4.33Å; P102-K105 HydrophobicContact CG-CD 4.22Å; P102-K105 PolarHBondContact O-N 3.08Å; P102-F106 PolarHBondContact O-N 3.33Å; P102-H289 HydrophobicContact CB-CB 4.03Å; P102-H289 HydrophobicContact CG-CB 4.36Å; P102-N290 WeakPolarHBondContact CA-O 3.38Å; P102-F291 HydrophobicContact CG-CE1 3.83Å; P102-F291 HydrophobicContact CG-CZ 3.89Å | ||
| 103 | F | 58.4 | Low | 58.9 | Low | 63 Ų | 63 | 68.1 Ų | 68.1 | 28% | 0.276 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -53.7 | -41.4 | -177.6 | -74.5 | -99.8 | 0 | 0 | 0 | 112.4 | L101 K105 F106 I110 N290 | L101-F103 PolarHBondContact O-N 2.96Å; F103-K105 PolarHBondContact O-N 3.26Å; F103-F106 CarbonylContact O-C 3.59Å; F103-F106 PolarHBondContact O-N 3.14Å; F103-I110 HydrophobicContact CB-CD1 4.46Å; F103-I110 HydrophobicContact CD1-CB 4.25Å; F103-I110 HydrophobicContact CD1-CD1 3.37Å; F103-I110 HydrophobicContact CD1-CG1 4.38Å; F103-I110 HydrophobicContact CD1-CG2 4.03Å; F103-I110 HydrophobicContact CE1-CB 4.36Å; F103-I110 HydrophobicContact CE1-CD1 3.75Å; F103-I110 HydrophobicContact CE1-CG2 3.63Å; F103-I110 HydrophobicContact CG-CD1 3.84Å; F103-I110 HydrophobicContact CZ-CD1 4.5Å; F103-N290 HydrophobicContact CB-CB 4.28Å; F103-N290 HydrophobicContact CD2-CB 3.43Å; F103-N290 VanDerWaalsContact CD2-CB 3.43Å; F103-N290 WeakPolarHBondContact CD2-O 3.18Å; F103-N290 HydrophobicContact CE2-CB 4.05Å; F103-N290 HydrophobicContact CG-CB 4.23Å; F103-N290 PolarHBondContact N-O 3.34Å |
| 104 | E | 53.8 | Low | 56.6 | Low | 84 Ų | 84 | 72 Ų | 72 | 39% | 0.393 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -67.6 | -22.1 | -176.5 | -38.7 | 77.5 | -135.2 | 0 | 0 | 113.2 | P102 H289 N290 | P102-E104 VanDerWaalsContact C-N 3.26Å; P102-E104 PolarHBondContact O-N 3.34Å; E104-H289 WeakPolarHBondContact OE2-CA 3.42Å; E104-H289 IonicContact OE2-CE1 3.55Å; E104-H289 IonicContact OE2-CG 2.64Å; E104-H289 IonicContact OE2-ND1 3.25Å; E104-H289 PolarHBondContact OE2-ND1 3.38Å; E104-N290 WeakPolarHBondContact OE1-CB 3.32Å; E104-N290 PolarHBondContact OE1-N 3.27Å; E104-N290 PolarHBondContact OE1-ND2 2.98Å |
| 105 | K | 53.6 | Low | 54.2 | Low | 126 Ų | 126 | 73.7 Ų | 73.7 | 55% | 0.548 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -89 | -18.8 | -179.7 | -72.8 | 175.4 | 176.4 | 159.1 | 0 | 113 | P102 F103 H289 | P102-K105 HydrophobicContact CB-CB 4.48Å; P102-K105 HydrophobicContact CB-CD 4.33Å; P102-K105 HydrophobicContact CG-CD 4.22Å; P102-K105 PolarHBondContact O-N 3.08Å; F103-K105 PolarHBondContact O-N 3.26Å; K105-H289 PolarHBondContact NZ-CE1 3.35Å; K105-H289 VanDerWaalsContact NZ-CE1 3.27Å; K105-H289 PolarHBondContact NZ-NE2 3.38Å |
| 106 | F | 47.5 | Very low | 51.6 | Low | 80 Ų | 80 | 76.2 Ų | 76.2 | 35% | 0.351 | 39% | 0.393 | S | S | . | . | trans | -137.2 | 54 | -177.6 | -60.1 | -84.8 | 0 | 0 | 0 | 113 | L101 P102 F103 N108 F109 | L101-F106 HydrophobicContact CB-CD2 3.81Å; L101-F106 HydrophobicContact CB-CE2 4.21Å; L101-F106 HydrophobicContact CD1-CD2 4.18Å; L101-F106 HydrophobicContact CD1-CE2 4.36Å; L101-F106 HydrophobicContact CD1-CG 4.32Å; L101-F106 HydrophobicContact CD2-CD2 4.32Å; L101-F106 HydrophobicContact CD2-CE2 3.87Å; L101-F106 HydrophobicContact CD2-CZ 4.35Å; L101-F106 HydrophobicContact CG-CD2 4.32Å; L101-F106 HydrophobicContact CG-CE2 4.37Å; P102-F106 PolarHBondContact O-N 3.33Å; F103-F106 CarbonylContact O-C 3.59Å; F103-F106 PolarHBondContact O-N 3.14Å; F106-N108 PolarHBondContact O-N 3.02Å; F106-N108 VanDerWaalsContact O-N 3.12Å; F106-F109 HydrophobicContact CB-CB 4.23Å; F106-F109 HydrophobicContact CB-CD2 4.4Å; F106-F109 HydrophobicContact CD1-CD2 4.27Å; F106-F109 PolarHBondContact O-N 2.97Å | ||
| 107 | P | 42.9 | Very low | 49.4 | Very low | 83 Ų | 83 | 82 Ų | 82 | 54% | 0.539 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.2 | -30.4 | -174.5 | 23.9 | -34.8 | 0 | 0 | 0 | 113.6 | F109 | P107-F109 VanDerWaalsContact C-N 3.31Å; P107-F109 PolarHBondContact O-N 3.3Å |
| 108 | N | 38.1 | Very low | 47.3 | Very low | 143 Ų | 143 | 82.5 Ų | 82.5 | 77% | 0.765 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -77.5 | -10.7 | -179.7 | -64.6 | -3.7 | 0 | 0 | 0 | 114.1 | F106 | F106-N108 PolarHBondContact O-N 3.02Å; F106-N108 VanDerWaalsContact O-N 3.12Å |
| 109 | F | 36.6 | Very low | 44.8 | Very low | 117 Ų | 117 | 87.1 Ų | 87.1 | 51% | 0.513 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -92.7 | -18.2 | -177.2 | -98.3 | -77.7 | 0 | 0 | 0 | 113.9 | F98 F106 P107 | F98-F109 HydrophobicContact CE2-CB 3.97Å; F98-F109 AromaticContact CE2-CD1 3.94Å; F98-F109 HydrophobicContact CE2-CD1 3.94Å; F98-F109 HydrophobicContact CE2-CG 4.33Å; F98-F109 HydrophobicContact CZ-CB 4.48Å; F98-F109 WeakPolarHBondContact CZ-O 3.29Å; F106-F109 HydrophobicContact CB-CB 4.23Å; F106-F109 HydrophobicContact CB-CD2 4.4Å; F106-F109 HydrophobicContact CD1-CD2 4.27Å; F106-F109 PolarHBondContact O-N 2.97Å; P107-F109 VanDerWaalsContact C-N 3.31Å; P107-F109 PolarHBondContact O-N 3.3Å |
| 110 | I | 39 | Very low | 42.6 | Very low | 50 Ų | 50 | 92.1 Ų | 92.1 | 26% | 0.256 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -113.2 | -9.3 | -175.4 | -51.7 | 168.5 | 0 | 0 | 0 | 111.7 | F98 F103 | F98-I110 HydrophobicContact CE1-CG1 4.35Å; F98-I110 HydrophobicContact CZ-CG1 3.88Å; F103-I110 HydrophobicContact CB-CD1 4.46Å; F103-I110 HydrophobicContact CD1-CB 4.25Å; F103-I110 HydrophobicContact CD1-CD1 3.37Å; F103-I110 HydrophobicContact CD1-CG1 4.38Å; F103-I110 HydrophobicContact CD1-CG2 4.03Å; F103-I110 HydrophobicContact CE1-CB 4.36Å; F103-I110 HydrophobicContact CE1-CD1 3.75Å; F103-I110 HydrophobicContact CE1-CG2 3.63Å; F103-I110 HydrophobicContact CG-CD1 3.84Å; F103-I110 HydrophobicContact CZ-CD1 4.5Å |
| 111 | A | 33.7 | Very low | 40.1 | Very low | 57 Ų | 57 | 97.7 Ų | 97.7 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -80 | -21.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 112 | E | 27.5 | Very low | 37.9 | Very low | 164 Ų | 164 | 106 Ų | 106 | 77% | 0.766 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125 | 118.1 | 179.6 | -63.7 | -172.4 | 149.3 | 0 | 0 | 109.5 | ||
| 113 | P | 38.9 | Very low | 36.3 | Very low | 61 Ų | 61 | 110.3 Ų | 110.3 | 40% | 0.396 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | cis | -125.6 | 91.7 | 15.1 | 39.2 | -21.8 | 0 | 0 | 0 | 114.9 | H115 S116 | P113-H115 VanDerWaalsContact C-N 3.29Å; P113-S116 WeakPolarHBondContact CB-OG 3.32Å |
| 114 | L | 34.5 | Very low | 34.9 | Very low | 140 Ų | 140 | 113 Ų | 113 | 73% | 0.733 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -87.6 | -2 | 150.1 | -82.3 | 169 | 0 | 0 | 0 | 112.1 | ||
| 115 | H | 31.1 | Very low | 33.6 | Very low | 164 Ų | 164 | 115.8 Ų | 115.8 | 76% | 0.759 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -134.6 | -9.5 | -170.8 | -68.1 | -30.3 | 0 | 0 | 0 | 116.6 | P113 | P113-H115 VanDerWaalsContact C-N 3.29Š|
| 116 | S | 27.1 | Very low | 32.4 | Very low | 66 Ų | 66 | 115 Ų | 115 | 46% | 0.462 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.8 | 136.8 | 170.7 | 65.8 | 0 | 0 | 0 | 0 | 110.6 | P113 | P113-S116 WeakPolarHBondContact CB-OG 3.32Š|
| 117 | N | 31.5 | Very low | 31.8 | Very low | 126 Ų | 126 | 115.8 Ų | 115.8 | 67% | 0.674 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.7 | 7 | -177.7 | -54.9 | -37.4 | 0 | 0 | 0 | 118.6 | N119 | N117-N119 PolarHBondContact O-N 3.08Š|
| 118 | A | 32.7 | Very low | 31.4 | Very low | 90 Ų | 90 | 116.6 Ų | 116.6 | 74% | 0.744 | 65% | 0.653 | S | S | * | * | trans | -74.8 | 55.4 | 157.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V120 | A118-V120 PolarHBondContact O-N 3.15Å; A118-V120 VanDerWaalsContact O-N 3.15Å | ||
| 119 | N | 26.7 | Very low | 31.1 | Very low | 143 Ų | 143 | 115.7 Ų | 115.7 | 77% | 0.765 | 65% | 0.648 | S | S | * | * | trans | -71 | 109.6 | 176.5 | -112.3 | -26.1 | 0 | 0 | 0 | 109.8 | N117 | N117-N119 PolarHBondContact O-N 3.08Š| ||
| 120 | V | 29.3 | Very low | 30.8 | Very low | 126 Ų | 126 | 117 Ų | 117 | 76% | 0.764 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 65 | 68.5 | 162.1 | -161.5 | 0 | 0 | 0 | 0 | 115.7 | A118 | A118-V120 PolarHBondContact O-N 3.15Å; A118-V120 VanDerWaalsContact O-N 3.15Å |
| 121 | V | 25.4 | Very low | 30.3 | Very low | 117 Ų | 117 | 120.1 Ų | 120.1 | 71% | 0.709 | 68% | 0.676 | S | S | * | * | trans | -124.6 | 99.4 | 141.5 | -176.8 | 0 | 0 | 0 | 0 | 109 | T123 | V121-T123 HydrophobicContact CG1-CG2 3.79Å; V121-T123 PolarHBondContact O-N 2.98Å | ||
| 122 | K | 26.1 | Very low | 30 | Very low | 214 Ų | 214 | 122.8 Ų | 122.8 | 93% | 0.93 | 69% | 0.687 | S | S | * | * | trans | -75.1 | 79.3 | 164.5 | -77.5 | -173.1 | 176.4 | -178.8 | 0 | 109.2 | ||||
| 123 | T | 28.3 | Very low | 30.2 | Very low | 102 Ų | 102 | 119.6 Ų | 119.6 | 63% | 0.626 | 69% | 0.689 | S | S | * | * | trans | -107.6 | 115.9 | 157.2 | 43.2 | 0 | 0 | 0 | 0 | 107.5 | V121 L125 | V121-T123 HydrophobicContact CG1-CG2 3.79Å; V121-T123 PolarHBondContact O-N 2.98Å; T123-L125 PolarHBondContact O-N 3.01Å | ||
| 124 | S | 27.7 | Very low | 29.6 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 83% | 0.832 | 70% | 0.701 | S | S | * | * | trans | -61.1 | 101.2 | 171.2 | 47.8 | 0 | 0 | 0 | 0 | 109.1 | N126 | S124-N126 PolarHBondContact O-N 2.76Š| ||
| 125 | L | 27.8 | Very low | 29.3 | Very low | 144 Ų | 144 | 122.9 Ų | 122.9 | 75% | 0.754 | 70% | 0.698 | S | S | * | * | trans | -66.1 | 115.9 | 165.3 | -79.3 | 167.5 | 0 | 0 | 0 | 107.4 | T123 D129 | T123-L125 PolarHBondContact O-N 3.01Å; L125-D129 WeakPolarHBondContact CD2-OD2 3.36Å | ||
| 126 | N | 28.8 | Very low | 29.2 | Very low | 110 Ų | 110 | 122.5 Ų | 122.5 | 59% | 0.588 | 70% | 0.699 | S | S | * | * | trans | -70.3 | 153.6 | 176.9 | -147.1 | 34.4 | 0 | 0 | 0 | 108.8 | S124 D128 | S124-N126 PolarHBondContact O-N 2.76Å; N126-D128 PolarHBondContact ND2-OD2 2.72Å; N126-D128 PolarHBondContact O-N 2.77Å | ||
| 127 | S | 34.7 | Very low | 29.3 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 67% | 0.671 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -65.2 | -1.2 | -177 | 47 | 0 | 0 | 0 | 0 | 115.4 | ||
| 128 | D | 33.1 | Very low | 29.2 | Very low | 99 Ų | 99 | 125 Ų | 125 | 53% | 0.529 | 71% | 0.709 | S | S | . | * | G | 310 helix | trans | -81.3 | -19.9 | -173.8 | -52.8 | -38.9 | 0 | 0 | 0 | 113.3 | N126 L130 L131 | N126-D128 PolarHBondContact ND2-OD2 2.72Å; N126-D128 PolarHBondContact O-N 2.77Å; D128-L130 PolarHBondContact O-N 2.86Å; D128-L130 VanDerWaalsContact O-N 3.14Å; D128-L131 PolarHBondContact O-N 3.12Å |
| 129 | D | 32.3 | Very low | 29.2 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 66% | 0.663 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -72.7 | -0.9 | 179.4 | -77.9 | -29.5 | 0 | 0 | 0 | 114 | L125 | L125-D129 WeakPolarHBondContact CD2-OD2 3.36Š|
| 130 | L | 31.3 | Very low | 29.2 | Very low | 145 Ų | 145 | 125.6 Ų | 125.6 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -87.2 | -4 | 176.4 | -106.7 | 150.7 | 0 | 0 | 0 | 114 | D128 T132 | D128-L130 PolarHBondContact O-N 2.86Å; D128-L130 VanDerWaalsContact O-N 3.14Å; L130-T132 PolarHBondContact O-N 3.05Å |
| 131 | L | 27.4 | Very low | 29 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 60% | 0.602 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -77.4 | -6 | -172.2 | -97.5 | 159.9 | 0 | 0 | 0 | 116.2 | D128 A133 | D128-L131 PolarHBondContact O-N 3.12Å; L131-A133 VanDerWaalsContact C-N 3.31Å; L131-A133 PolarHBondContact O-N 2.85Å |
| 132 | T | 28.1 | Very low | 29.1 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 69% | 0.693 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -80.8 | -4.9 | -176.4 | -28.1 | 0 | 0 | 0 | 0 | 114.5 | L130 | L130-T132 PolarHBondContact O-N 3.05Š|
| 133 | A | 30.7 | Very low | 29.3 | Very low | 98 Ų | 98 | 126.7 Ų | 126.7 | 81% | 0.81 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -98.6 | -5.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L131 | L131-A133 VanDerWaalsContact C-N 3.31Å; L131-A133 PolarHBondContact O-N 2.85Å |
| 134 | Q | 27.3 | Very low | 29.2 | Very low | 139 Ų | 139 | 128.4 Ų | 128.4 | 65% | 0.65 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -120 | 26.9 | -164.9 | -153.9 | 163.4 | 3.8 | 0 | 0 | 114.3 | ||
| 135 | L | 27.1 | Very low | 29.3 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 68% | 0.681 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -121.5 | 28.4 | -174.5 | -125.4 | 148.6 | 0 | 0 | 0 | 113.9 | ||
| 136 | M | 29.1 | Very low | 29.3 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -120.8 | -1.5 | 168.9 | -77.6 | -99.9 | 57 | 0 | 0 | 113.5 | I139 | M136-I139 HydrophobicContact CE-CD1 4.44Š|
| 137 | S | 29.6 | Very low | 29.4 | Very low | 83 Ų | 83 | 133 Ų | 133 | 58% | 0.58 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -97.2 | -5.8 | 178 | 56.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 138 | E | 28.6 | Very low | 29 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -102.2 | 20.1 | -176.7 | -64 | -169.5 | 152.4 | 0 | 0 | 114 | ||
| 139 | I | 32.7 | Very low | 29.1 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -109.6 | -2.9 | 172.4 | -58.8 | 177.5 | 0 | 0 | 0 | 111.5 | M136 | M136-I139 HydrophobicContact CE-CD1 4.44Š|
| 140 | S | 27.2 | Very low | 29.1 | Very low | 99 Ų | 99 | 141.2 Ų | 141.2 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -101.3 | 91.3 | 163.2 | -71.6 | 0 | 0 | 0 | 0 | 109 | ||
| 141 | D | 25.3 | Very low | 29 | Very low | 164 Ų | 164 | 140.1 Ų | 140.1 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 162.1 | 62.6 | 145.9 | -82 | -11.7 | 0 | 0 | 0 | 112.6 | ||
| 142 | S | 27 | Very low | 29.2 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -162.8 | 71.5 | 156.9 | -146.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 143 | E | 30.1 | Very low | 29.4 | Very low | 197 Ų | 197 | 144.3 Ų | 144.3 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | -171.1 | 98.1 | 130.5 | -108.5 | -179.3 | -167.9 | 0 | 0 | 110 | ||||
| 144 | T | 27.5 | Very low | 29.4 | Very low | 139 Ų | 139 | 146 Ų | 146 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -71.5 | 118.6 | 167.9 | 47.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 145 | V | 28.6 | Very low | 29.6 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 87% | 0.873 | 77% | 0.773 | S | S | * | * | trans | -145.2 | 130.4 | 136 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 146 | N | 28.3 | Very low | 29.8 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | -60.7 | 151.6 | 176.7 | -56.1 | -46.4 | 0 | 0 | 0 | 112.8 | ||||
| 147 | E | 30.6 | Very low | 29.8 | Very low | 191 Ų | 191 | 144.2 Ų | 144.2 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | -155.2 | 120.5 | 111.7 | -114.5 | 172.8 | -151.5 | 0 | 0 | 111.3 | |||||
| 148 | N | 27.6 | Very low | 29.8 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | -78.7 | 131.6 | 174.1 | -64.6 | -27 | 0 | 0 | 0 | 109.5 | ||||
| 149 | I | 33.7 | Very low | 30 | Very low | 169 Ų | 169 | 145.9 Ų | 145.9 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -134.4 | 113.6 | 143.8 | -61.3 | -174.2 | 0 | 0 | 0 | 107.8 | ||||
| 150 | E | 33.3 | Very low | 29.7 | Very low | 180 Ų | 180 | 147.7 Ų | 147.7 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -75.6 | 164.4 | 175.7 | -69 | 177.6 | 130.3 | 0 | 0 | 112.2 | ||||
| 151 | T | 29.8 | Very low | 29.9 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -64.7 | 151.5 | 179.3 | 48.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 152 | N | 30.3 | Very low | 30 | Very low | 146 Ų | 146 | 150.6 Ų | 150.6 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | -167.9 | 163.2 | 113.1 | -99.2 | -11.1 | 0 | 0 | 0 | 116 | |||||
| 153 | E | 32.6 | Very low | 29.9 | Very low | 169 Ų | 169 | 148 Ų | 148 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -50.8 | 163 | 178.6 | -44.7 | 175.2 | 128.1 | 0 | 0 | 113.7 | ||||
| 154 | E | 31.4 | Very low | 29.7 | Very low | 135 Ų | 135 | 145.6 Ų | 145.6 | 63% | 0.631 | 80% | 0.795 | S | S | * | * | cis | -180 | 163.7 | 48.5 | -143.1 | -166.2 | 166 | 0 | 0 | 111.2 | ||||
| 155 | K | 32.2 | Very low | 29.6 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 62% | 0.622 | 79% | 0.794 | S | S | * | * | trans | 75.2 | 119.8 | 150 | -81.3 | 166.9 | -176.6 | 138.4 | 0 | 124.3 | ||||
| 156 | N | 29.8 | Very low | 29.6 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | 86.2 | 127 | 129.8 | -63.1 | -12.5 | 0 | 0 | 0 | 122.1 | |||||
| 157 | G | 30.1 | Very low | 29.2 | Very low | 85 Ų | 85 | 143 Ų | 143 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | trans | 154.1 | 116.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 158 | A | 28.8 | Very low | 28.9 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -116.6 | -171.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 159 | E | 32.3 | Very low | 28.8 | Very low | 183 Ų | 183 | 140.6 Ų | 140.6 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | 89.3 | 113.2 | 178.9 | -54.7 | 177.2 | -176.7 | 0 | 0 | 113.9 | ||||
| 160 | Q | 27.5 | Very low | 28.5 | Very low | 183 Ų | 183 | 139.1 Ų | 139.1 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | 57.1 | 133.5 | 66.1 | -77.2 | -174.2 | -25.2 | 0 | 0 | 113 | |||||
| 161 | E | 30.8 | Very low | 28.2 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | cis | -129 | -168.5 | -6.4 | -62.3 | -163.4 | 70 | 0 | 0 | 109.3 | ||||
| 162 | Q | 28.3 | Very low | 28.2 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | cis | -150.1 | -171.7 | 2.3 | -151.2 | 163.9 | 72.7 | 0 | 0 | 109.6 | ||||
| 163 | G | 23.5 | Very low | 28.1 | Very low | 63 Ų | 63 | 143.6 Ų | 143.6 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | trans | -115.6 | 159.6 | -167.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 164 | T | 26.2 | Very low | 27.9 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 91% | 0.908 | 78% | 0.783 | S | S | * | * | trans | -163 | 123 | 139.8 | 7.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 165 | T | 25.4 | Very low | 27.6 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | trans | -97.7 | 163.2 | 150.2 | 39.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 166 | P | 28.7 | Very low | 27.6 | Very low | 112 Ų | 112 | 138 Ų | 138 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | cis | -142 | 179.8 | 23.8 | 41.7 | -22.2 | 0 | 0 | 0 | 117.7 | ||||
| 167 | C | 20.7 | Very low | 27.8 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | 55.7 | 102.8 | 149.1 | -88.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 168 | Q | 24.9 | Very low | 27.9 | Very low | 182 Ų | 182 | 144.5 Ų | 144.5 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | 170.6 | 161.2 | 101 | -92.4 | -175.6 | 3.8 | 0 | 0 | 112.1 | |||||
| 169 | S | 25.1 | Very low | 28 | Very low | 100 Ų | 100 | 145.6 Ų | 145.6 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | 54.2 | 108.3 | 167 | 67.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 170 | N | 26.9 | Very low | 27.8 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | 179.9 | 94.3 | 113.8 | -94.1 | -54.8 | 0 | 0 | 0 | 110.9 | K172 | N170-K172 PolarHBondContact O-N 2.77Š| |||
| 171 | T | 26.6 | Very low | 27.9 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | trans | -71.8 | 73.1 | 159.9 | -41.5 | 0 | 0 | 0 | 0 | 108.5 | R173 | T171-R173 PolarHBondContact O-N 3.25Å; T171-R173 VanDerWaalsContact O-N 3.07Å | ||
| 172 | K | 29.7 | Very low | 27.9 | Very low | 171 Ų | 171 | 145 Ų | 145 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -58.8 | 114.5 | 164.3 | -81.3 | -177.7 | 177.3 | 176.4 | 0 | 106.4 | N170 V174 | N170-K172 PolarHBondContact O-N 2.77Å; K172-V174 PolarHBondContact O-N 2.77Å | ||
| 173 | R | 28.3 | Very low | 27.8 | Very low | 223 Ų | 223 | 145.5 Ų | 145.5 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | trans | -48.4 | 109.3 | 165.4 | -87.1 | -177.5 | 168.5 | -176.1 | -6.6 | 107.6 | T171 L175 | T171-R173 PolarHBondContact O-N 3.25Å; T171-R173 VanDerWaalsContact O-N 3.07Å; R173-L175 PolarHBondContact O-N 3.3Å | ||
| 174 | V | 28.7 | Very low | 28.1 | Very low | 126 Ų | 126 | 150.2 Ų | 150.2 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -73 | 87.4 | 163.5 | 179.2 | 0 | 0 | 0 | 0 | 105.1 | K172 T176 | K172-V174 PolarHBondContact O-N 2.77Å; V174-T176 HydrophobicContact CG1-CG2 4.28Å; V174-T176 PolarHBondContact O-N 2.88Å | ||
| 175 | L | 26 | Very low | 28.2 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 61% | 0.613 | 77% | 0.771 | S | S | * | * | trans | -61.8 | 94.3 | 164.1 | -77.8 | 163.5 | 0 | 0 | 0 | 106.5 | R173 D179 | R173-L175 PolarHBondContact O-N 3.3Å; L175-D179 HydrophobicContact CD2-CB 4.39Å; L175-D179 WeakPolarHBondContact CD2-OD2 3.35Å | ||
| 176 | T | 30.9 | Very low | 28.4 | Very low | 87 Ų | 87 | 150.5 Ų | 150.5 | 53% | 0.534 | 77% | 0.769 | S | S | . | * | trans | -60.3 | 144.6 | 171.1 | 42.3 | 0 | 0 | 0 | 0 | 108.4 | V174 Q178 D179 | V174-T176 HydrophobicContact CG1-CG2 4.28Å; V174-T176 PolarHBondContact O-N 2.88Å; T176-Q178 PolarHBondContact O-N 2.77Å; T176-D179 PolarHBondContact O-N 3.48Å | ||
| 177 | K | 34.5 | Very low | 28.4 | Very low | 209 Ų | 209 | 151.1 Ų | 151.1 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 6.7 | -168.3 | -70.4 | 179.9 | 176.6 | 176 | 0 | 115.2 | ||
| 178 | Q | 32.8 | Very low | 28.8 | Very low | 172 Ų | 172 | 152.3 Ų | 152.3 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -17.6 | 175.2 | -74.4 | 178.6 | -26.6 | 0 | 0 | 113.6 | T176 R180 | T176-Q178 PolarHBondContact O-N 2.77Å; Q178-R180 PolarHBondContact O-N 2.85Å |
| 179 | D | 29.6 | Very low | 28.9 | Very low | 120 Ų | 120 | 151.9 Ų | 151.9 | 64% | 0.642 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 31.4 | 176.6 | -85.4 | -16.1 | 0 | 0 | 0 | 115.1 | L175 T176 | L175-D179 HydrophobicContact CD2-CB 4.39Å; L175-D179 WeakPolarHBondContact CD2-OD2 3.35Å; T176-D179 PolarHBondContact O-N 3.48Å |
| 180 | R | 29.4 | Very low | 29.1 | Very low | 225 Ų | 225 | 153.6 Ų | 153.6 | 85% | 0.849 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.6 | 2.3 | 176.6 | -77.5 | -168.4 | 176.4 | -172.7 | -0.1 | 115.5 | Q178 F182 | Q178-R180 PolarHBondContact O-N 2.85Å; R180-F182 VanDerWaalsContact C-N 3.32Å; R180-F182 PolarHBondContact O-N 3.04Å |
| 181 | A | 29.9 | Very low | 29.1 | Very low | 84 Ų | 84 | 156.5 Ų | 156.5 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -9.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 182 | F | 29.9 | Very low | 29.1 | Very low | 200 Ų | 200 | 155.4 Ų | 155.4 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | 37.8 | -176.1 | -82.9 | -78.9 | 0 | 0 | 0 | 114.7 | R180 | R180-F182 VanDerWaalsContact C-N 3.32Å; R180-F182 PolarHBondContact O-N 3.04Å |
| 183 | K | 27.1 | Very low | 29 | Very low | 180 Ų | 180 | 152.7 Ų | 152.7 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -131.9 | 140.8 | 158.7 | -70.9 | -172.7 | 176.8 | 178.7 | 0 | 109.6 | ||
| 184 | D | 28.2 | Very low | 29.1 | Very low | 161 Ų | 161 | 150.1 Ų | 150.1 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | 78.9 | 23.9 | 177.3 | -50.9 | -25.6 | 0 | 0 | 0 | 118.1 | K186 | D184-K186 PolarHBondContact O-N 3.36Å; D184-K186 VanDerWaalsContact O-N 3.1Å | ||
| 185 | S | 29.9 | Very low | 29.1 | Very low | 106 Ų | 106 | 147.6 Ų | 147.6 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | -68.4 | 101.9 | 153.6 | 47.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 186 | K | 29.5 | Very low | 29.5 | Very low | 183 Ų | 183 | 148.9 Ų | 148.9 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | -53.7 | 148.3 | 165.4 | -73.5 | 176.3 | 177.7 | 174.1 | 0 | 109.7 | D184 V188 | D184-K186 PolarHBondContact O-N 3.36Å; D184-K186 VanDerWaalsContact O-N 3.1Å; K186-V188 PolarHBondContact O-N 3.48Å | ||
| 187 | P | 27.4 | Very low | 29.7 | Very low | 125 Ų | 125 | 150.7 Ų | 150.7 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -61.8 | 113.7 | 169.3 | 27.7 | -32.8 | 0 | 0 | 0 | 108.4 | ||||
| 188 | V | 30.6 | Very low | 29.6 | Very low | 143 Ų | 143 | 147.3 Ų | 147.3 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | -79.8 | 119.4 | 165.1 | 177.8 | 0 | 0 | 0 | 0 | 106 | K186 | K186-V188 PolarHBondContact O-N 3.48Š| ||
| 189 | E | 26.5 | Very low | 29.7 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -67.8 | 146.9 | 179 | -67.1 | 175.1 | 139.9 | 0 | 0 | 111.2 | ||||
| 190 | D | 28 | Very low | 30 | Very low | 137 Ų | 137 | 142.4 Ų | 142.4 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | 22.1 | 98.4 | 160.3 | -71.4 | -27.4 | 0 | 0 | 0 | 119.2 | ||||
| 191 | H | 28.1 | Very low | 30.2 | Very low | 199 Ų | 199 | 139.1 Ų | 139.1 | 92% | 0.921 | 74% | 0.744 | S | S | * | * | trans | -149.8 | 61.9 | 135.3 | -79.2 | -41 | 0 | 0 | 0 | 111.1 | ||||
| 192 | C | 26.5 | Very low | 30.7 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | trans | -126.5 | 65.6 | 164.3 | -161.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 193 | S | 28.1 | Very low | 30.9 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | trans | -114.5 | 47 | 177.8 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 194 | Q | 29.7 | Very low | 31.2 | Very low | 170 Ų | 170 | 133 Ų | 133 | 79% | 0.794 | 72% | 0.716 | S | S | * | * | trans | -88.1 | 130.4 | 160.7 | -78.3 | -175.6 | -28.6 | 0 | 0 | 108.5 | ||||
| 195 | S | 28.7 | Very low | 31.4 | Very low | 72 Ų | 72 | 132.8 Ų | 132.8 | 50% | 0.503 | 71% | 0.71 | S | S | . | * | trans | -75.3 | 138.6 | -172.8 | 86.4 | 0 | 0 | 0 | 0 | 111 | N197 E198 | S195-N197 PolarHBondContact O-N 2.87Å; S195-E198 PolarHBondContact O-N 3.05Å | ||
| 196 | L | 33.6 | Very low | 31.8 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 75% | 0.754 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -7.9 | -177.7 | -84.1 | 161.5 | 0 | 0 | 0 | 114.7 | E198 | L196-E198 VanDerWaalsContact C-N 3.34Å; L196-E198 PolarHBondContact O-N 2.98Å |
| 197 | N | 34.9 | Very low | 31.9 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 67% | 0.674 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -71.2 | -24.1 | 177.6 | -89.3 | 24.7 | 0 | 0 | 0 | 113.8 | S195 S200 | S195-N197 PolarHBondContact O-N 2.87Å; N197-S200 PolarHBondContact O-OG 3.07Å |
| 198 | E | 33.4 | Very low | 32.1 | Very low | 138 Ų | 138 | 127.3 Ų | 127.3 | 65% | 0.645 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -86.1 | -15.4 | -176.4 | -67.5 | 176.7 | 165.1 | 0 | 0 | 113.2 | S195 L196 | S195-E198 PolarHBondContact O-N 3.05Å; L196-E198 VanDerWaalsContact C-N 3.34Å; L196-E198 PolarHBondContact O-N 2.98Å |
| 199 | Q | 35.1 | Very low | 32.2 | Very low | 135 Ų | 135 | 128.8 Ų | 128.8 | 63% | 0.631 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -92.9 | -19.9 | 174 | -74.3 | -166.8 | -18.7 | 0 | 0 | 113.8 | ||
| 200 | S | 35.2 | Very low | 32.2 | Very low | 53 Ų | 53 | 127.1 Ų | 127.1 | 37% | 0.371 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -73.3 | -30.1 | 179 | 42.3 | 0 | 0 | 0 | 0 | 113.9 | N197 N204 | N197-S200 PolarHBondContact O-OG 3.07Å; S200-N204 PolarHBondContact O-N 2.87Å; S200-N204 PolarHBondContact O-ND2 2.86Å |
| 201 | E | 34.3 | Very low | 32.3 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -71.8 | -39.7 | -178.3 | -65 | -171 | 155.8 | 0 | 0 | 112 | L203 | E201-L203 VanDerWaalsContact C-N 3.35Å; E201-L203 PolarHBondContact O-N 3.36Å |
| 202 | N | 40.3 | Very low | 32.2 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 61% | 0.61 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -72 | -20.6 | 176.6 | -91 | -56.7 | 0 | 0 | 0 | 114.7 | ||
| 203 | L | 33.1 | Very low | 32.2 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 56% | 0.555 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -85.5 | -25.9 | 179.3 | -75.1 | 170.5 | 0 | 0 | 0 | 113.2 | E201 E205 I206 S207 | E201-L203 VanDerWaalsContact C-N 3.35Å; E201-L203 PolarHBondContact O-N 3.36Å; L203-E205 VanDerWaalsContact C-N 3.31Å; L203-E205 PolarHBondContact O-N 3.38Å; L203-I206 PolarHBondContact O-N 3.32Å; L203-S207 PolarHBondContact O-N 3.1Å |
| 204 | N | 33.9 | Very low | 32.4 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 61% | 0.61 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -73.2 | -21.7 | 176.6 | -77.8 | -25.7 | 0 | 0 | 0 | 113.4 | S200 S207 | S200-N204 PolarHBondContact O-N 2.87Å; S200-N204 PolarHBondContact O-ND2 2.86Å; N204-S207 PolarHBondContact O-OG 3.25Å |
| 205 | E | 33.3 | Very low | 32.2 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 73% | 0.734 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -22.8 | 177.5 | -151 | 165.6 | -145.7 | 0 | 0 | 112.4 | L203 | L203-E205 VanDerWaalsContact C-N 3.31Å; L203-E205 PolarHBondContact O-N 3.38Å |
| 206 | I | 37.5 | Very low | 32.1 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 67% | 0.667 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -29.8 | 177.2 | -58.4 | 175.4 | 0 | 0 | 0 | 111.7 | L203 A208 | L203-I206 PolarHBondContact O-N 3.32Å; I206-A208 PolarHBondContact O-N 3.15Å |
| 207 | S | 32.1 | Very low | 31.9 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 63% | 0.629 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -8.7 | 179.1 | 67.9 | 0 | 0 | 0 | 0 | 114.4 | L203 N204 | L203-S207 PolarHBondContact O-N 3.1Å; N204-S207 PolarHBondContact O-OG 3.25Å |
| 208 | A | 31.2 | Very low | 31.6 | Very low | 80 Ų | 80 | 141.4 Ų | 141.4 | 66% | 0.661 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -7.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I206 E210 | I206-A208 PolarHBondContact O-N 3.15Å; A208-E210 PolarHBondContact O-N 3.49Å |
| 209 | Q | 32 | Very low | 31.4 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 81% | 0.808 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -82 | 101.5 | 169.3 | -76.7 | -170.2 | -8.9 | 0 | 0 | 110.2 | F211 | Q209-F211 PolarHBondContact O-N 3.16Å; Q209-F211 VanDerWaalsContact O-N 3.13Å |
| 210 | E | 27.4 | Very low | 31.1 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 65% | 0.645 | 72% | 0.724 | S | S | * | * | trans | -46.9 | 119.4 | 169.2 | -72.9 | -173.8 | 146.9 | 0 | 0 | 110.4 | A208 R212 | A208-E210 PolarHBondContact O-N 3.49Å; E210-R212 HydrophobicContact CB-CG 4.11Å; E210-R212 PolarHBondContact O-N 3.23Å; E210-R212 IonicContact OE1-NH2 3.51Å; E210-R212 IonicContact OE2-CZ 3.72Å; E210-R212 IonicContact OE2-NE 3.17Å; E210-R212 PolarHBondContact OE2-NE 3.11Å; E210-R212 IonicContact OE2-NH2 2.96Å; E210-R212 PolarHBondContact OE2-NH2 3.19Å | ||
| 211 | F | 29.9 | Very low | 30.8 | Very low | 194 Ų | 194 | 150.3 Ų | 150.3 | 85% | 0.851 | 75% | 0.746 | S | S | * | * | trans | -72.4 | 71.1 | 171.8 | -136.3 | -85 | 0 | 0 | 0 | 109.8 | Q209 L213 | Q209-F211 PolarHBondContact O-N 3.16Å; Q209-F211 VanDerWaalsContact O-N 3.13Å; F211-L213 PolarHBondContact O-N 3.17Å; F211-L213 VanDerWaalsContact O-N 3.12Å | ||
| 212 | R | 25.8 | Very low | 30.5 | Very low | 191 Ų | 191 | 147.7 Ų | 147.7 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | trans | -73.4 | 102 | 172.9 | -69.4 | -164.1 | -176 | -154.5 | -2 | 109.3 | E210 P214 | E210-R212 HydrophobicContact CB-CG 4.11Å; E210-R212 PolarHBondContact O-N 3.23Å; E210-R212 IonicContact OE1-NH2 3.51Å; E210-R212 IonicContact OE2-CZ 3.72Å; E210-R212 IonicContact OE2-NE 3.17Å; E210-R212 PolarHBondContact OE2-NE 3.11Å; E210-R212 IonicContact OE2-NH2 2.96Å; E210-R212 PolarHBondContact OE2-NH2 3.19Å; R212-P214 WeakPolarHBondContact O-CD 3.4Å | ||
| 213 | L | 27.6 | Very low | 29.9 | Very low | 147 Ų | 147 | 148.9 Ų | 148.9 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -44.9 | 127 | 156.9 | -85.5 | 145.5 | 0 | 0 | 0 | 109.4 | F211 D215 | F211-L213 PolarHBondContact O-N 3.17Å; F211-L213 VanDerWaalsContact O-N 3.12Å; L213-D215 VanDerWaalsContact C-N 3.31Å; L213-D215 PolarHBondContact O-N 3.13Å | ||
| 214 | P | 30.7 | Very low | 29.6 | Very low | 126 Ų | 126 | 152.2 Ų | 152.2 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -69.6 | 82.7 | 177.9 | -22.8 | 35.3 | 0 | 0 | 0 | 112.8 | R212 K216 | R212-P214 WeakPolarHBondContact O-CD 3.4Å; P214-K216 VanDerWaalsContact C-N 3.27Å; P214-K216 PolarHBondContact O-N 3.35Å | ||
| 215 | D | 25.6 | Very low | 29.5 | Very low | 152 Ų | 152 | 156.2 Ų | 156.2 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -65.4 | 85.6 | 163.7 | -96.5 | -26.8 | 0 | 0 | 0 | 110 | L213 | L213-D215 VanDerWaalsContact C-N 3.31Å; L213-D215 PolarHBondContact O-N 3.13Å | ||
| 216 | K | 27.8 | Very low | 29.5 | Very low | 199 Ų | 199 | 155.9 Ų | 155.9 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | trans | 176.5 | 81.1 | 150.9 | -97 | 154.5 | -170.9 | 178 | 0 | 113.4 | P214 | P214-K216 VanDerWaalsContact C-N 3.27Å; P214-K216 PolarHBondContact O-N 3.35Å | ||
| 217 | Q | 29.5 | Very low | 29.1 | Very low | 187 Ų | 187 | 159.9 Ų | 159.9 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | -161 | 57.2 | 128.9 | -112.5 | 178 | 7.6 | 0 | 0 | 110.7 | E219 | Q217-E219 PolarHBondContact O-N 3.27Š| |||
| 218 | Q | 27 | Very low | 28.8 | Very low | 189 Ų | 189 | 160.2 Ų | 160.2 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -76.1 | 73.3 | 165.1 | -160.7 | 177.6 | 54.5 | 0 | 0 | 108.6 | K220 | Q218-K220 PolarHBondContact O-N 3.05Š| ||
| 219 | E | 30.3 | Very low | 28.8 | Very low | 173 Ų | 173 | 164 Ų | 164 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | trans | -67.3 | 114.7 | 176.1 | -157.5 | 168.6 | -133.2 | 0 | 0 | 108.4 | Q217 I221 | Q217-E219 PolarHBondContact O-N 3.27Å; E219-I221 PolarHBondContact O-N 3.35Å | ||
| 220 | K | 29.4 | Very low | 28.6 | Very low | 177 Ų | 177 | 164.3 Ų | 164.3 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -68.6 | 103.3 | -175.2 | -73.7 | 177.4 | 175.8 | 177.2 | 0 | 109.5 | Q218 S222 | Q218-K220 PolarHBondContact O-N 3.05Å; K220-S222 PolarHBondContact O-N 3.09Å | ||
| 221 | I | 27.3 | Very low | 28.8 | Very low | 163 Ų | 163 | 169.6 Ų | 169.6 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -67 | 88.3 | 159.5 | -56.1 | 175.6 | 0 | 0 | 0 | 107.3 | E219 | E219-I221 PolarHBondContact O-N 3.35Š| ||
| 222 | S | 29.6 | Very low | 28.7 | Very low | 102 Ų | 102 | 169.2 Ų | 169.2 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | trans | -94.3 | 125.2 | 165.5 | -74.8 | 0 | 0 | 0 | 0 | 109.3 | K220 | K220-S222 PolarHBondContact O-N 3.09Š| ||
| 223 | L | 26.9 | Very low | 29.6 | Very low | 139 Ų | 139 | 165.9 Ų | 165.9 | 73% | 0.728 | 81% | 0.811 | S | S | * | * | trans | -66 | 154 | 174.9 | -98.7 | 79.4 | 0 | 0 | 0 | 112.2 | ||||
| 224 | E | 25.7 | Very low | 29.9 | Very low | 175 Ų | 175 | 165 Ų | 165 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | 68.1 | 100.5 | 153.2 | -69.1 | 174.1 | 173.9 | 0 | 0 | 119.4 | ||||
| 225 | K | 33.2 | Very low | 29.8 | Very low | 199 Ų | 199 | 163.1 Ų | 163.1 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | -151.7 | 107.3 | 116.8 | -112.5 | 172 | -176.2 | 179.5 | 0 | 113.1 | |||||
| 226 | E | 33.3 | Very low | 30.1 | Very low | 149 Ų | 149 | 162.9 Ų | 162.9 | 70% | 0.696 | 81% | 0.808 | S | S | * | * | trans | 23.1 | 130.7 | 139.6 | -70.9 | -167.9 | 109.8 | 0 | 0 | 122.4 | ||||
| 227 | R | 28.4 | Very low | 30.3 | Very low | 215 Ų | 215 | 160.6 Ų | 160.6 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | 34.5 | 139.3 | 123.1 | -62.6 | 172.4 | 173.1 | 153.1 | -7.1 | 118.5 | |||||
| 228 | S | 26 | Very low | 30.4 | Very low | 97 Ų | 97 | 157.5 Ų | 157.5 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | cis | 179.2 | 151.7 | 0.5 | 43.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 229 | N | 32.3 | Very low | 30.4 | Very low | 160 Ų | 160 | 156.6 Ų | 156.6 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -173 | 148.8 | 136.3 | -97.7 | -17.5 | 0 | 0 | 0 | 112.9 | ||||
| 230 | E | 26.7 | Very low | 30.2 | Very low | 178 Ų | 178 | 153.9 Ų | 153.9 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -77.5 | 154.1 | -175.9 | -54.1 | 160.4 | 122.8 | 0 | 0 | 112.5 | ||||
| 231 | R | 31.3 | Very low | 30.1 | Very low | 250 Ų | 250 | 150.7 Ų | 150.7 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | -160.2 | 133.2 | 127.5 | -109.7 | 169.1 | -168.8 | -158.4 | 1.5 | 112.3 | |||||
| 232 | Q | 28.8 | Very low | 30.1 | Very low | 185 Ų | 185 | 149.6 Ų | 149.6 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -76.1 | 163.4 | 178.3 | -85.8 | 180 | -20.2 | 0 | 0 | 112.9 | ||||
| 233 | P | 43.6 | Very low | 30 | Very low | 122 Ų | 122 | 154 Ų | 154 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | trans | -84.8 | 167 | -177.3 | 36.4 | -37.6 | 0 | 0 | 0 | 112.8 | ||||
| 234 | P | 33.8 | Very low | 30.1 | Very low | 128 Ų | 128 | 152.3 Ų | 152.3 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | trans | -116.1 | 146.1 | 161.2 | 36.5 | -26.2 | 0 | 0 | 0 | 113 | ||||
| 235 | A | 28.5 | Very low | 30.5 | Very low | 87 Ų | 87 | 150.3 Ų | 150.3 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | trans | -110.7 | 156.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 236 | N | 32.5 | Very low | 30.2 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | 121.2 | 90.9 | 160.9 | -62.1 | -23.4 | 0 | 0 | 0 | 115.9 | ||||
| 237 | L | 31.8 | Very low | 30.1 | Very low | 150 Ų | 150 | 152.1 Ų | 152.1 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | 56.2 | 152.8 | 113.9 | -75.9 | 167.2 | 0 | 0 | 0 | 120 | |||||
| 238 | P | 32.9 | Very low | 30.1 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | cis | -142.9 | -163.9 | 42.1 | 41.9 | -20.1 | 0 | 0 | 0 | 117.6 | ||||
| 239 | E | 26.4 | Very low | 30.3 | Very low | 170 Ų | 170 | 147.9 Ų | 147.9 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -77.7 | 168.8 | -158 | -59.1 | 167 | 116.4 | 0 | 0 | 117.4 | ||||
| 240 | S | 25.3 | Very low | 30.3 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 79.9 | 100.3 | 158.3 | 75.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 241 | S | 27.6 | Very low | 30.6 | Very low | 110 Ų | 110 | 144.9 Ų | 144.9 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | -174.3 | 132.5 | 106.7 | 48.4 | 0 | 0 | 0 | 0 | 112.2 | K243 | S241-K243 PolarHBondContact O-N 2.86Š| |||
| 242 | T | 27.4 | Very low | 31.2 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | -2 | 102.9 | 154 | 36.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 243 | K | 28.1 | Very low | 31.8 | Very low | 195 Ų | 195 | 130.4 Ų | 130.4 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | trans | -146 | 109.9 | 134.6 | -107 | 169.7 | -172.1 | 180 | 0 | 108.8 | S241 T245 | S241-K243 PolarHBondContact O-N 2.86Å; K243-T245 VanDerWaalsContact C-N 3.32Å; K243-T245 PolarHBondContact O-N 3.26Å | ||
| 244 | S | 28 | Very low | 31.3 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -59.8 | 101.1 | 154.6 | 44.8 | 0 | 0 | 0 | 0 | 106.8 | D246 | S244-D246 PolarHBondContact O-N 3.07Š| ||
| 245 | T | 34.2 | Very low | 31.5 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 81% | 0.81 | 72% | 0.718 | S | S | * | * | trans | -63.2 | 100.6 | 153.5 | 37.3 | 0 | 0 | 0 | 0 | 105.6 | K243 R247 | K243-T245 VanDerWaalsContact C-N 3.32Å; K243-T245 PolarHBondContact O-N 3.26Å; T245-R247 PolarHBondContact O-N 2.96Å | ||
| 246 | D | 27.6 | Very low | 32.1 | Very low | 134 Ų | 134 | 125.8 Ų | 125.8 | 72% | 0.717 | 69% | 0.692 | S | S | * | * | trans | -42.9 | 128.2 | 160.9 | -70.5 | -52.5 | 0 | 0 | 0 | 107.4 | S244 Q248 | S244-D246 PolarHBondContact O-N 3.07Å; D246-Q248 PolarHBondContact O-N 3.44Å | ||
| 247 | R | 30.9 | Very low | 32.4 | Very low | 252 Ų | 252 | 121.9 Ų | 121.9 | 95% | 0.951 | 67% | 0.674 | S | S | * | * | trans | -69.5 | 73 | 164.1 | -76.3 | -177.6 | 171.9 | -172.2 | -3.8 | 106.8 | T245 G249 | T245-R247 PolarHBondContact O-N 2.96Å; R247-G249 PolarHBondContact O-N 3.32Å | ||
| 248 | Q | 29.3 | Very low | 33 | Very low | 177 Ų | 177 | 122.6 Ų | 122.6 | 83% | 0.827 | 67% | 0.671 | S | S | * | * | trans | -66.5 | 90.3 | 166.2 | -164.5 | 166.2 | 19.8 | 0 | 0 | 104.9 | D246 C250 | D246-Q248 PolarHBondContact O-N 3.44Å; Q248-C250 PolarHBondContact O-N 2.9Å; Q248-C250 VanDerWaalsContact O-N 3.1Å | ||
| 249 | G | 29.6 | Very low | 33.4 | Very low | 47 Ų | 47 | 118.1 Ų | 118.1 | 49% | 0.485 | 64% | 0.64 | S | S | . | * | trans | -56.1 | 119.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | R247 F251 | R247-G249 PolarHBondContact O-N 3.32Å; G249-F251 PolarHBondContact O-N 2.91Å | ||
| 250 | C | 33 | Very low | 34 | Very low | 138 Ų | 138 | 113.4 Ų | 113.4 | 93% | 0.932 | 62% | 0.62 | S | S | * | * | trans | -71.7 | 65.6 | 166.2 | -76.8 | 0 | 0 | 0 | 0 | 108.7 | Q248 M252 | Q248-C250 PolarHBondContact O-N 2.9Å; Q248-C250 VanDerWaalsContact O-N 3.1Å; C250-M252 PolarHBondContact O-N 3.47Å | ||
| 251 | F | 32.3 | Very low | 35 | Very low | 136 Ų | 136 | 113.4 Ų | 113.4 | 60% | 0.596 | 61% | 0.611 | S | S | * | * | trans | -67.4 | 111.4 | 175.9 | -89.7 | -85.4 | 0 | 0 | 0 | 109.3 | G249 D253 | G249-F251 PolarHBondContact O-N 2.91Å; F251-D253 VanDerWaalsContact C-N 3.28Å; F251-D253 PolarHBondContact O-N 3.37Å | ||
| 252 | M | 43.4 | Very low | 35.9 | Very low | 51 Ų | 51 | 109.8 Ų | 109.8 | 25% | 0.251 | 59% | 0.585 | S | S | . | * | S | Bend | trans | 60.1 | -25.9 | 148.7 | -76.2 | -63.9 | 178.1 | 0 | 0 | 122.5 | D95 C250 G254 R255 T256 | D95-M252 WeakPolarHBondContact OD1-CE 3.36Å; D95-M252 WeakPolarHBondContact OD2-CE 3.39Å; C250-M252 PolarHBondContact O-N 3.47Å; M252-G254 PolarHBondContact O-N 3.16Å; M252-R255 PolarHBondContact O-N 3.37Å; M252-T256 HydrophobicContact CB-CG2 3.92Å; M252-T256 HydrophobicContact CG-CG2 4.14Å; M252-T256 PolarHBondContact O-N 3.16Å; M252-T256 PolarHBondContact O-OG1 2.85Å; M252-T256 VanDerWaalsContact O-OG1 3.13Å; M252-T256 HydrophobicContact SD-CG2 3.75Å |
| 253 | D | 41.5 | Very low | 36.7 | Very low | 81 Ų | 81 | 105.4 Ų | 105.4 | 43% | 0.433 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -52.7 | -28.6 | -160.2 | -122.6 | 3.9 | 0 | 0 | 0 | 115.9 | F251 T257 | F251-D253 VanDerWaalsContact C-N 3.28Å; F251-D253 PolarHBondContact O-N 3.37Å; D253-T257 VanDerWaalsContact O-CG2 3.27Å; D253-T257 WeakPolarHBondContact O-CG2 3.46Å; D253-T257 PolarHBondContact O-OG1 3.39Å |
| 254 | G | 33.6 | Very low | 37.8 | Very low | 59 Ų | 59 | 98.6 Ų | 98.6 | 61% | 0.608 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -11.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | M252 | M252-G254 PolarHBondContact O-N 3.16Š|
| 255 | R | 38.5 | Very low | 39 | Very low | 150 Ų | 150 | 101.7 Ų | 101.7 | 57% | 0.566 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -44.8 | -178.4 | -62.6 | -170.3 | -159.5 | 166.8 | 8.3 | 112.2 | P90 M252 T257 K258 L259 | P90-R255 PolarHBondContact O-NH1 3.24Å; M252-R255 PolarHBondContact O-N 3.37Å; R255-T257 VanDerWaalsContact C-N 3.32Å; R255-T257 PolarHBondContact O-N 3.46Å; R255-K258 PolarHBondContact O-N 3.37Å; R255-L259 PolarHBondContact O-N 2.95Å |
| 256 | T | 40 | Very low | 39.9 | Very low | 30 Ų | 30 | 97 Ų | 97 | 18% | 0.184 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -58.1 | -45.6 | 175.2 | 46.7 | 0 | 0 | 0 | 0 | 110.9 | M252 K258 L259 D260 | M252-T256 HydrophobicContact CB-CG2 3.92Å; M252-T256 HydrophobicContact CG-CG2 4.14Å; M252-T256 PolarHBondContact O-N 3.16Å; M252-T256 PolarHBondContact O-OG1 2.85Å; M252-T256 VanDerWaalsContact O-OG1 3.13Å; M252-T256 HydrophobicContact SD-CG2 3.75Å; T256-K258 CarbonylContact O-C 3.6Å; T256-K258 PolarHBondContact O-N 2.93Å; T256-L259 CarbonylContact O-C 3.54Å; T256-L259 WeakPolarHBondContact O-CA 3.47Å; T256-L259 WeakPolarHBondContact O-CB 3.43Å; T256-L259 PolarHBondContact O-N 2.68Å; T256-D260 VanDerWaalsContact C-OD2 3.27Å; T256-D260 PolarHBondContact O-N 2.92Å; T256-D260 VanDerWaalsContact O-OD2 3.11Å |
| 257 | T | 39.7 | Very low | 40.9 | Very low | 65 Ų | 65 | 97.5 Ų | 97.5 | 40% | 0.399 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56 | -22.6 | 179.5 | 43.7 | 0 | 0 | 0 | 0 | 115.2 | D253 R255 N261 | D253-T257 VanDerWaalsContact O-CG2 3.27Å; D253-T257 WeakPolarHBondContact O-CG2 3.46Å; D253-T257 PolarHBondContact O-OG1 3.39Å; R255-T257 VanDerWaalsContact C-N 3.32Å; R255-T257 PolarHBondContact O-N 3.46Å; T257-N261 WeakPolarHBondContact O-CB 3.26Å; T257-N261 PolarHBondContact O-ND2 3.25Å |
| 258 | K | 43.5 | Very low | 41.8 | Very low | 166 Ų | 166 | 94.7 Ų | 94.7 | 72% | 0.722 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -82 | -42.6 | 169.2 | -77.7 | -172 | 175.1 | -175.8 | 0 | 112.8 | R255 T256 C262 | R255-K258 PolarHBondContact O-N 3.37Å; T256-K258 CarbonylContact O-C 3.6Å; T256-K258 PolarHBondContact O-N 2.93Å; K258-C262 WeakPolarHBondContact O-CB 3.5Å; K258-C262 PolarHBondContact O-N 3.13Å |
| 259 | L | 41.1 | Very low | 42.5 | Very low | 28 Ų | 28 | 88.7 Ų | 88.7 | 15% | 0.147 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 176.3 | -88.6 | 153.3 | 0 | 0 | 0 | 111.8 | F85 P90 R255 T256 C262 F263 S296 C299 | F85-L259 HydrophobicContact CE1-CD2 3.73Å; F85-L259 HydrophobicContact CZ-CD2 4.15Å; P90-L259 HydrophobicContact CB-CD1 4.28Å; P90-L259 HydrophobicContact CG-CD1 4.23Å; R255-L259 PolarHBondContact O-N 2.95Å; T256-L259 CarbonylContact O-C 3.54Å; T256-L259 WeakPolarHBondContact O-CA 3.47Å; T256-L259 WeakPolarHBondContact O-CB 3.43Å; T256-L259 PolarHBondContact O-N 2.68Å; L259-C262 CarbonylContact O-C 3.57Å; L259-C262 WeakPolarHBondContact O-CA 3.3Å; L259-C262 WeakPolarHBondContact O-CB 3.5Å; L259-C262 PolarHBondContact O-N 2.75Å; L259-C262 VanDerWaalsContact O-N 3.13Å; L259-F263 WeakPolarHBondContact O-CB 3.44Å; L259-F263 PolarHBondContact O-N 3.24Å; L259-S296 WeakPolarHBondContact CD1-OG 3.34Å; L259-C299 HydrophobicContact CD2-CB 4.33Å |
| 260 | D | 39.2 | Very low | 43.2 | Very low | 70 Ų | 70 | 88.8 Ų | 88.8 | 37% | 0.374 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 178.8 | -62.2 | -38.8 | 0 | 0 | 0 | 111.7 | T256 C262 F263 E264 | T256-D260 VanDerWaalsContact C-OD2 3.27Å; T256-D260 PolarHBondContact O-N 2.92Å; T256-D260 VanDerWaalsContact O-OD2 3.11Å; D260-C262 VanDerWaalsContact C-N 3.31Å; D260-C262 PolarHBondContact O-N 2.67Å; D260-F263 PolarHBondContact O-N 3.02Å; D260-E264 PolarHBondContact O-N 3Å |
| 261 | N | 47.2 | Very low | 43.7 | Very low | 117 Ų | 117 | 91.2 Ų | 91.2 | 63% | 0.626 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.7 | -36 | 171.9 | -89.4 | -62 | 0 | 0 | 0 | 112.3 | T257 K265 | T257-N261 WeakPolarHBondContact O-CB 3.26Å; T257-N261 PolarHBondContact O-ND2 3.25Å; N261-K265 WeakPolarHBondContact O-CB 3.41Å; N261-K265 PolarHBondContact O-N 2.9Å |
| 262 | C | 46 | Very low | 44 | Very low | 35 Ų | 35 | 88.1 Ų | 88.1 | 24% | 0.236 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -69.6 | -41.3 | 174.7 | -163.5 | 0 | 0 | 0 | 0 | 111.4 | K258 L259 D260 W266 | K258-C262 WeakPolarHBondContact O-CB 3.5Å; K258-C262 PolarHBondContact O-N 3.13Å; L259-C262 CarbonylContact O-C 3.57Å; L259-C262 WeakPolarHBondContact O-CA 3.3Å; L259-C262 WeakPolarHBondContact O-CB 3.5Å; L259-C262 PolarHBondContact O-N 2.75Å; L259-C262 VanDerWaalsContact O-N 3.13Å; D260-C262 VanDerWaalsContact C-N 3.31Å; D260-C262 PolarHBondContact O-N 2.67Å; C262-W266 VanDerWaalsContact O-CB 3.3Å; C262-W266 WeakPolarHBondContact O-CB 3.12Å; C262-W266 PolarHBondContact O-N 3.48Å |
| 263 | F | 45.1 | Very low | 43.7 | Very low | 47 Ų | 47 | 90.7 Ų | 90.7 | 21% | 0.206 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -65.5 | -46 | 177.2 | 179.2 | -99 | 0 | 0 | 0 | 112.1 | L259 D260 W266 R267 Y298 | L259-F263 WeakPolarHBondContact O-CB 3.44Å; L259-F263 PolarHBondContact O-N 3.24Å; D260-F263 PolarHBondContact O-N 3.02Å; F263-W266 AromaticContact CD2-CE3 3.97Å; F263-W266 HydrophobicContact CD2-CE3 3.97Å; F263-W266 HydrophobicContact CD2-CZ3 4.29Å; F263-W266 AromaticContact CE2-CE3 3.85Å; F263-W266 HydrophobicContact CE2-CE3 3.85Å; F263-W266 AromaticContact CE2-CZ3 3.71Å; F263-W266 HydrophobicContact CE2-CZ3 3.71Å; F263-W266 HydrophobicContact CZ-CZ3 4.38Å; F263-W266 PolarHBondContact O-N 2.9Å; F263-R267 VanDerWaalsContact O-CB 3.26Å; F263-R267 WeakPolarHBondContact O-CB 3.31Å; F263-R267 PolarHBondContact O-N 3.15Å; F263-Y298 HydrophobicContact CE2-CD1 4.08Å; F263-Y298 AromaticContact CE2-CE1 3.6Å; F263-Y298 HydrophobicContact CE2-CE1 3.6Å; F263-Y298 AromaticContact CZ-CE1 3.91Å; F263-Y298 HydrophobicContact CZ-CE1 3.91Å |
| 264 | E | 50.6 | Low | 43.8 | Very low | 51 Ų | 51 | 92.2 Ų | 92.2 | 24% | 0.238 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -70.6 | -34.7 | 176.9 | -88.8 | -68 | 137.6 | 0 | 0 | 112.6 | D260 W266 R267 R268 | D260-E264 PolarHBondContact O-N 3Å; E264-W266 VanDerWaalsContact C-N 3.34Å; E264-R267 WeakPolarHBondContact OE1-CD 3.27Å; E264-R267 IonicContact OE1-CZ 2.64Å; E264-R267 IonicContact OE1-NE 3.28Å; E264-R267 IonicContact OE1-NH1 2.74Å; E264-R267 PolarHBondContact OE1-NH1 3.25Å; E264-R268 VanDerWaalsContact O-CB 3.31Å; E264-R268 WeakPolarHBondContact O-CB 3.25Å; E264-R268 WeakPolarHBondContact O-CD 3.29Å; E264-R268 WeakPolarHBondContact O-CG 3.41Å; E264-R268 PolarHBondContact O-N 3.38Å; E264-R268 IonicContact OE2-CZ 2.81Å; E264-R268 VanDerWaalsContact OE2-CZ 3.24Å; E264-R268 IonicContact OE2-NE 3.17Å; E264-R268 PolarHBondContact OE2-NE 2.91Å; E264-R268 IonicContact OE2-NH2 3.86Å; E264-R268 PolarHBondContact OE2-NH2 2.99Å |
| 265 | K | 53.2 | Low | 43.9 | Very low | 170 Ų | 170 | 100.9 Ų | 100.9 | 74% | 0.739 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.1 | -46.4 | 167.3 | -102.2 | -174.5 | 170.3 | -178.4 | 0 | 111.5 | N261 S269 | N261-K265 WeakPolarHBondContact O-CB 3.41Å; N261-K265 PolarHBondContact O-N 2.9Å; K265-S269 WeakPolarHBondContact O-CB 3.26Å; K265-S269 PolarHBondContact O-N 3.23Å; K265-S269 VanDerWaalsContact O-N 3.15Å; K265-S269 PolarHBondContact O-OG 3.41Å |
| 266 | W | 52.3 | Low | 43.9 | Very low | 33 Ų | 33 | 99 Ų | 99 | 13% | 0.125 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62.2 | -54 | 178.7 | 171.6 | 73.6 | 0 | 0 | 0 | 111 | C262 F263 E264 R268 S269 I270 G302 L303 W306 | C262-W266 VanDerWaalsContact O-CB 3.3Å; C262-W266 WeakPolarHBondContact O-CB 3.12Å; C262-W266 PolarHBondContact O-N 3.48Å; F263-W266 AromaticContact CD2-CE3 3.97Å; F263-W266 HydrophobicContact CD2-CE3 3.97Å; F263-W266 HydrophobicContact CD2-CZ3 4.29Å; F263-W266 AromaticContact CE2-CE3 3.85Å; F263-W266 HydrophobicContact CE2-CE3 3.85Å; F263-W266 AromaticContact CE2-CZ3 3.71Å; F263-W266 HydrophobicContact CE2-CZ3 3.71Å; F263-W266 HydrophobicContact CZ-CZ3 4.38Å; F263-W266 PolarHBondContact O-N 2.9Å; E264-W266 VanDerWaalsContact C-N 3.34Å; W266-R268 VanDerWaalsContact C-N 3.27Å; W266-R268 PolarHBondContact O-N 2.9Å; W266-S269 WeakPolarHBondContact O-CA 3.44Å; W266-S269 WeakPolarHBondContact O-CB 3.4Å; W266-S269 PolarHBondContact O-N 3.31Å; W266-S269 PolarHBondContact O-OG 2.92Å; W266-I270 HydrophobicContact CD2-CD1 4.25Å; W266-I270 HydrophobicContact CE3-CD1 4.22Å; W266-I270 HydrophobicContact CH2-CD1 3.62Å; W266-I270 HydrophobicContact CZ2-CD1 3.63Å; W266-I270 HydrophobicContact CZ2-CG1 4.47Å; W266-I270 HydrophobicContact CZ3-CD1 3.92Å; W266-I270 WeakPolarHBondContact O-CG1 3.25Å; W266-G302 VanDerWaalsContact CH2-CA 3.49Å; W266-G302 WeakPolarHBondContact CZ2-O 3.44Å; W266-G302 PolarHBondContact NE1-O 3.2Å; W266-L303 HydrophobicContact CB-CD2 4.23Å; W266-L303 HydrophobicContact CG-CD2 3.99Å; W266-L303 HydrophobicContact CG-CG 4.38Å; W266-W306 AromaticContact NE1-CG 3.94Å |
| 267 | R | 48.8 | Very low | 44.4 | Very low | 144 Ų | 144 | 98.8 Ų | 98.8 | 54% | 0.543 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -54 | -40.8 | 179.5 | -172 | -168.8 | -179.3 | -170.4 | -1 | 112.3 | F263 E264 S269 I270 | F263-R267 VanDerWaalsContact O-CB 3.26Å; F263-R267 WeakPolarHBondContact O-CB 3.31Å; F263-R267 PolarHBondContact O-N 3.15Å; E264-R267 WeakPolarHBondContact OE1-CD 3.27Å; E264-R267 IonicContact OE1-CZ 2.64Å; E264-R267 IonicContact OE1-NE 3.28Å; E264-R267 IonicContact OE1-NH1 2.74Å; E264-R267 PolarHBondContact OE1-NH1 3.25Å; R267-S269 VanDerWaalsContact C-N 3.34Å; R267-I270 WeakPolarHBondContact O-CB 3.36Å; R267-I270 WeakPolarHBondContact O-CG1 3.36Å |
| 268 | R | 49.6 | Very low | 44.9 | Very low | 193 Ų | 193 | 97.7 Ų | 97.7 | 73% | 0.728 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -75.6 | -18.1 | 177.1 | -67.2 | 170.9 | -164.2 | -159.9 | 0.5 | 114.1 | E264 W266 I270 | E264-R268 VanDerWaalsContact O-CB 3.31Å; E264-R268 WeakPolarHBondContact O-CB 3.25Å; E264-R268 WeakPolarHBondContact O-CD 3.29Å; E264-R268 WeakPolarHBondContact O-CG 3.41Å; E264-R268 PolarHBondContact O-N 3.38Å; E264-R268 IonicContact OE2-CZ 2.81Å; E264-R268 VanDerWaalsContact OE2-CZ 3.24Å; E264-R268 IonicContact OE2-NE 3.17Å; E264-R268 PolarHBondContact OE2-NE 2.91Å; E264-R268 IonicContact OE2-NH2 3.86Å; E264-R268 PolarHBondContact OE2-NH2 2.99Å; W266-R268 VanDerWaalsContact C-N 3.27Å; W266-R268 PolarHBondContact O-N 2.9Å; R268-I270 VanDerWaalsContact C-N 3.29Å |
| 269 | S | 43.6 | Very low | 45.4 | Very low | 51 Ų | 51 | 95.2 Ų | 95.2 | 36% | 0.357 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 3.4 | 175.9 | 72.5 | 0 | 0 | 0 | 0 | 114.2 | K265 W266 R267 E271 | K265-S269 WeakPolarHBondContact O-CB 3.26Å; K265-S269 PolarHBondContact O-N 3.23Å; K265-S269 VanDerWaalsContact O-N 3.15Å; K265-S269 PolarHBondContact O-OG 3.41Å; W266-S269 WeakPolarHBondContact O-CA 3.44Å; W266-S269 WeakPolarHBondContact O-CB 3.4Å; W266-S269 PolarHBondContact O-N 3.31Å; W266-S269 PolarHBondContact O-OG 2.92Å; R267-S269 VanDerWaalsContact C-N 3.34Å; S269-E271 PolarHBondContact O-N 3.44Å; S269-E271 VanDerWaalsContact O-N 3.08Å |
| 270 | I | 44.6 | Very low | 46 | Very low | 50 Ų | 50 | 94.3 Ų | 94.3 | 26% | 0.256 | 45% | 0.448 | S | S | . | . | trans | -82.9 | 77.4 | -179.5 | -54.4 | -175.3 | 0 | 0 | 0 | 110.1 | W266 R267 R268 Y277 | W266-I270 HydrophobicContact CD2-CD1 4.25Å; W266-I270 HydrophobicContact CE3-CD1 4.22Å; W266-I270 HydrophobicContact CH2-CD1 3.62Å; W266-I270 HydrophobicContact CZ2-CD1 3.63Å; W266-I270 HydrophobicContact CZ2-CG1 4.47Å; W266-I270 HydrophobicContact CZ3-CD1 3.92Å; W266-I270 WeakPolarHBondContact O-CG1 3.25Å; R267-I270 WeakPolarHBondContact O-CB 3.36Å; R267-I270 WeakPolarHBondContact O-CG1 3.36Å; R268-I270 VanDerWaalsContact C-N 3.29Å; I270-Y277 HydrophobicContact CG2-CE1 3.75Å; I270-Y277 HydrophobicContact CG2-CE2 4.05Å; I270-Y277 WeakPolarHBondContact CG2-OH 3.24Å | ||
| 271 | E | 44.2 | Very low | 47.2 | Very low | 188 Ų | 188 | 96.7 Ų | 96.7 | 88% | 0.879 | 46% | 0.457 | S | S | * | . | trans | -81.9 | -13.5 | 173.9 | -67 | -176.3 | 161.7 | 0 | 0 | 113.6 | S269 | S269-E271 PolarHBondContact O-N 3.44Å; S269-E271 VanDerWaalsContact O-N 3.08Å | ||
| 272 | L | 38.7 | Very low | 48.2 | Very low | 71 Ų | 71 | 94.4 Ų | 94.4 | 37% | 0.372 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -83.9 | 139.5 | -176.5 | -81.7 | 166.5 | 0 | 0 | 0 | 111.5 | Y277 M309 | L272-Y277 WeakPolarHBondContact CB-OH 3.32Å; L272-Y277 VanDerWaalsContact O-CE2 3.27Å; L272-Y277 WeakPolarHBondContact O-CE2 3.21Å; L272-Y277 PolarHBondContact O-OH 3.42Å; L272-M309 HydrophobicContact CB-CE 4.5Å; L272-M309 HydrophobicContact CD1-CE 4.2Å |
| 273 | P | 37.8 | Very low | 49.4 | Very low | 106 Ų | 106 | 96.5 Ų | 96.5 | 69% | 0.688 | 45% | 0.454 | S | S | * | . | trans | -65.9 | 143.8 | -170 | 25.2 | -34.8 | 0 | 0 | 0 | 113.8 | R275 Y277 | P273-R275 PolarHBondContact O-N 2.95Å; P273-Y277 WeakPolarHBondContact O-CE2 3.24Å | ||
| 274 | L | 41.8 | Very low | 50.9 | Low | 113 Ų | 113 | 94.8 Ų | 94.8 | 59% | 0.592 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -54.6 | -12 | -167.1 | -80.4 | 161.5 | 0 | 0 | 0 | 117.6 | N276 Y277 I279 | L274-N276 VanDerWaalsContact C-N 3.33Å; L274-N276 PolarHBondContact O-N 3.39Å; L274-Y277 HydrophobicContact CD2-CD2 4.33Å; L274-I279 HydrophobicContact CD2-CD1 4.09Å |
| 275 | R | 36.2 | Very low | 52.4 | Low | 240 Ų | 240 | 97.8 Ų | 97.8 | 91% | 0.906 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -67.7 | -19.5 | -168.4 | -92.6 | -174.2 | 171.3 | -174.8 | -2.2 | 116.6 | P273 | P273-R275 PolarHBondContact O-N 2.95Š|
| 276 | N | 39.7 | Very low | 53.6 | Low | 111 Ų | 111 | 90.8 Ų | 90.8 | 59% | 0.594 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -111.3 | -4.4 | -174.5 | -74.3 | -8.3 | 0 | 0 | 0 | 114.8 | L274 F278 M309 R357 | L274-N276 VanDerWaalsContact C-N 3.33Å; L274-N276 PolarHBondContact O-N 3.39Å; N276-F278 PolarHBondContact O-N 2.99Å; N276-M309 HydrophobicContact CB-SD 3.66Å; N276-R357 PolarHBondContact O-NH1 3.16Å |
| 277 | Y | 49.9 | Very low | 54.9 | Low | 25 Ų | 25 | 93.1 Ų | 93.1 | 10% | 0.098 | 47% | 0.465 | C | S | . | . | trans | -72 | 130 | -178.7 | -60.8 | -85.6 | 0 | 0 | 0 | 111.4 | I270 L272 P273 L274 I279 M309 | I270-Y277 HydrophobicContact CG2-CE1 3.75Å; I270-Y277 HydrophobicContact CG2-CE2 4.05Å; I270-Y277 WeakPolarHBondContact CG2-OH 3.24Å; L272-Y277 WeakPolarHBondContact CB-OH 3.32Å; L272-Y277 VanDerWaalsContact O-CE2 3.27Å; L272-Y277 WeakPolarHBondContact O-CE2 3.21Å; L272-Y277 PolarHBondContact O-OH 3.42Å; P273-Y277 WeakPolarHBondContact O-CE2 3.24Å; L274-Y277 HydrophobicContact CD2-CD2 4.33Å; Y277-I279 VanDerWaalsContact C-N 3.29Å; Y277-I279 PolarHBondContact O-N 2.91Å; Y277-I279 VanDerWaalsContact O-N 3.08Å; Y277-M309 HydrophobicContact CD1-CE 4.08Å; Y277-M309 HydrophobicContact CE1-CE 3.38Å; Y277-M309 HydrophobicContact CE1-SD 4.42Å; Y277-M309 HydrophobicContact CE2-CE 4.44Å | ||
| 278 | F | 50 | Low | 56.2 | Low | 42 Ų | 42 | 94.5 Ų | 94.5 | 18% | 0.184 | 48% | 0.478 | C | S | . | . | trans | -69.5 | 95.1 | 149.5 | 174.8 | -96.4 | 0 | 0 | 0 | 107.7 | N276 A280 E361 Y364 | N276-F278 PolarHBondContact O-N 2.99Å; F278-A280 HydrophobicContact CE1-CB 3.65Å; F278-A280 HydrophobicContact CZ-CB 4.02Å; F278-A280 PolarHBondContact O-N 3.46Å; F278-E361 HydrophobicContact CD2-CG 3.73Å; F278-E361 HydrophobicContact CE2-CG 3.6Å; F278-E361 HydrophobicContact CZ-CG 4.4Å; F278-Y364 AromaticContact CE1-CD2 3.87Å; F278-Y364 HydrophobicContact CE1-CD2 3.87Å; F278-Y364 AromaticContact CE1-CE2 3.32Å; F278-Y364 HydrophobicContact CE1-CE2 3.32Å; F278-Y364 AromaticContact CZ-CD2 3.42Å; F278-Y364 HydrophobicContact CZ-CD2 3.42Å; F278-Y364 VanDerWaalsContact CZ-CD2 3.42Å; F278-Y364 AromaticContact CZ-CE2 3.4Å; F278-Y364 HydrophobicContact CZ-CE2 3.4Å; F278-Y364 HydrophobicContact CZ-CG 4.36Å | ||
| 279 | I | 52.9 | Low | 57.5 | Low | 114 Ų | 114 | 87.2 Ų | 87.2 | 59% | 0.585 | 45% | 0.452 | S | S | * | . | trans | -85.2 | 98.5 | 169.9 | -54.5 | 179 | 0 | 0 | 0 | 106.6 | L274 Y277 | L274-I279 HydrophobicContact CD2-CD1 4.09Å; Y277-I279 VanDerWaalsContact C-N 3.29Å; Y277-I279 PolarHBondContact O-N 2.91Å; Y277-I279 VanDerWaalsContact O-N 3.08Å | ||
| 280 | A | 55.5 | Low | 59 | Low | 10 Ų | 10 | 87 Ų | 87 | 8% | 0.083 | 45% | 0.447 | C | S | . | . | trans | -61.3 | 139.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | F278 Y298 Y364 | F278-A280 HydrophobicContact CE1-CB 3.65Å; F278-A280 HydrophobicContact CZ-CB 4.02Å; F278-A280 PolarHBondContact O-N 3.46Å; A280-Y298 HydrophobicContact CB-CD2 3.94Å; A280-Y298 HydrophobicContact CB-CE2 3.59Å; A280-Y298 WeakPolarHBondContact O-CE2 3.29Å; A280-Y298 PolarHBondContact O-OH 2.92Å; A280-Y364 HydrophobicContact CB-CE1 3.77Å; A280-Y364 HydrophobicContact CB-CE2 4.02Å; A280-Y364 VanDerWaalsContact CB-CZ 3.44Å; A280-Y364 WeakPolarHBondContact CB-OH 3.43Å | ||
| 281 | Q | 63.8 | Low | 60.8 | Low | 120 Ų | 120 | 84.7 Ų | 84.7 | 56% | 0.561 | 44% | 0.435 | S | S | * | . | trans | -68.6 | 136.1 | 162.4 | -68.9 | 171.2 | -36.8 | 0 | 0 | 107.9 | Y283 Q293 | Q281-Y283 VanDerWaalsContact CB-O 3.29Å; Q281-Y283 WeakPolarHBondContact CB-O 3.5Å; Q281-Y283 PolarHBondContact O-N 3.14Å; Q281-Y283 VanDerWaalsContact O-N 3.11Å; Q281-Q293 VanDerWaalsContact O-CG 3.25Å; Q281-Q293 WeakPolarHBondContact O-CG 3.17Å; Q281-Q293 PolarHBondContact O-NE2 3.3Å | ||
| 282 | S | 67.9 | Low | 62.4 | Low | 69 Ų | 69 | 76.3 Ų | 76.3 | 48% | 0.483 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -66.7 | -6.2 | 177.1 | 50.5 | 0 | 0 | 0 | 0 | 113.4 | Q293 | S282-Q293 WeakPolarHBondContact O-CG 3.31Å; S282-Q293 PolarHBondContact O-N 3.27Å |
| 283 | Y | 71.9 | Confident | 64.5 | Low | 79 Ų | 79 | 73.5 Ų | 73.5 | 31% | 0.31 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 169.4 | 177.4 | 65 | -78.4 | 0 | 0 | 0 | 110.8 | Q281 E285 N290 F291 | Q281-Y283 VanDerWaalsContact CB-O 3.29Å; Q281-Y283 WeakPolarHBondContact CB-O 3.5Å; Q281-Y283 PolarHBondContact O-N 3.14Å; Q281-Y283 VanDerWaalsContact O-N 3.11Å; Y283-E285 HydrophobicContact CD2-CG 4.09Å; Y283-E285 HydrophobicContact CE2-CG 3.62Å; Y283-E285 VanDerWaalsContact CE2-OE1 3.24Å; Y283-E285 WeakPolarHBondContact CE2-OE1 3.31Å; Y283-E285 PolarHBondContact OH-OE1 3.42Å; Y283-N290 HydrophobicContact CD2-CB 4.3Å; Y283-N290 WeakPolarHBondContact CD2-OD1 3.49Å; Y283-N290 VanDerWaalsContact CE2-OD1 3.24Å; Y283-N290 WeakPolarHBondContact CE2-OD1 3.35Å; Y283-F291 CarbonylContact C-O 3.31Å; Y283-F291 WeakPolarHBondContact CA-O 3.22Å; Y283-F291 WeakPolarHBondContact CB-O 3.43Å |
| 284 | I | 76.7 | Confident | 66.7 | Low | 11 Ų | 11 | 68.6 Ų | 68.6 | 6% | 0.056 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 122.3 | 177.5 | -57.5 | 176.5 | 0 | 0 | 0 | 108.3 | I286 N290 F291 R367 T368 L371 | I284-I286 HydrophobicContact CG2-CD1 4.1Å; I284-I286 HydrophobicContact CG2-CG1 3.95Å; I284-N290 CarbonylContact O-C 3.55Å; I284-N290 WeakPolarHBondContact O-CA 3.35Å; I284-F291 PolarHBondContact N-O 3.39Å; I284-F291 PolarHBondContact O-N 3.05Å; I284-R367 HydrophobicContact CD1-CG 4.36Å; I284-T368 HydrophobicContact CG2-CG2 4.02Å; I284-L371 HydrophobicContact CB-CD1 4.27Å; I284-L371 HydrophobicContact CD1-CD1 3.61Å; I284-L371 HydrophobicContact CG1-CD1 4.44Å; I284-L371 HydrophobicContact CG2-CD1 4.44Å |
| 285 | E | 80.7 | Confident | 68.5 | Low | 113 Ų | 113 | 65.4 Ų | 65.4 | 53% | 0.528 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 126.6 | 173.6 | -71.7 | 172.2 | -161.5 | 0 | 0 | 111.3 | Y283 N290 | Y283-E285 HydrophobicContact CD2-CG 4.09Å; Y283-E285 HydrophobicContact CE2-CG 3.62Å; Y283-E285 VanDerWaalsContact CE2-OE1 3.24Å; Y283-E285 WeakPolarHBondContact CE2-OE1 3.31Å; Y283-E285 PolarHBondContact OH-OE1 3.42Å; E285-N290 WeakPolarHBondContact CG-OD1 3.25Å |
| 286 | I | 79.2 | Confident | 70.6 | Confident | 23 Ų | 23 | 54.2 Ų | 54.2 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 91.9 | 176.4 | -56.4 | 172.7 | 0 | 0 | 0 | 109.1 | I284 E288 H289 F291 L371 K372 | I284-I286 HydrophobicContact CG2-CD1 4.1Å; I284-I286 HydrophobicContact CG2-CG1 3.95Å; I286-E288 PolarHBondContact O-N 3.23Å; I286-H289 PolarHBondContact N-O 2.93Å; I286-H289 PolarHBondContact O-N 3.36Å; I286-F291 HydrophobicContact CB-CD2 4.47Å; I286-F291 HydrophobicContact CB-CE2 4.11Å; I286-F291 HydrophobicContact CD1-CD2 3.93Å; I286-F291 HydrophobicContact CD1-CE2 4Å; I286-F291 HydrophobicContact CG1-CD2 4.33Å; I286-F291 HydrophobicContact CG1-CE2 4.38Å; I286-L371 HydrophobicContact CD1-CB 3.35Å; I286-L371 HydrophobicContact CD1-CD1 4.33Å; I286-L371 HydrophobicContact CD1-CG 4.49Å; I286-K372 HydrophobicContact CD1-CG 3.92Å; I286-K372 HydrophobicContact CG1-CG 4.2Å; I286-K372 HydrophobicContact CG2-CG 3.77Å |
| 287 | G | 80.3 | Confident | 72.9 | Confident | 83 Ų | 83 | 48.9 Ų | 48.9 | 86% | 0.856 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | -125.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110 | H289 | G287-H289 VanDerWaalsContact C-N 3.27Š|
| 288 | E | 75.7 | Confident | 74.4 | Confident | 173 Ų | 173 | 50.1 Ų | 50.1 | 81% | 0.808 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -6.2 | 174.1 | -63.8 | 179.3 | 172.3 | 0 | 0 | 113.2 | I286 | I286-E288 PolarHBondContact O-N 3.23Š|
| 289 | H | 75.6 | Confident | 75.9 | Confident | 40 Ų | 40 | 48.2 Ų | 48.2 | 19% | 0.185 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.3 | -170.9 | -66.7 | -28.2 | 0 | 0 | 0 | 113.9 | P102 E104 K105 I286 G287 F291 | P102-H289 HydrophobicContact CB-CB 4.03Å; P102-H289 HydrophobicContact CG-CB 4.36Å; E104-H289 WeakPolarHBondContact OE2-CA 3.42Å; E104-H289 IonicContact OE2-CE1 3.55Å; E104-H289 IonicContact OE2-CG 2.64Å; E104-H289 IonicContact OE2-ND1 3.25Å; E104-H289 PolarHBondContact OE2-ND1 3.38Å; K105-H289 PolarHBondContact NZ-CE1 3.35Å; K105-H289 VanDerWaalsContact NZ-CE1 3.27Å; K105-H289 PolarHBondContact NZ-NE2 3.38Å; I286-H289 PolarHBondContact N-O 2.93Å; I286-H289 PolarHBondContact O-N 3.36Å; G287-H289 VanDerWaalsContact C-N 3.27Å; H289-F291 HydrophobicContact CB-CD2 4.45Å; H289-F291 HydrophobicContact CB-CE2 3.58Å; H289-F291 HydrophobicContact CB-CZ 3.91Å |
| 290 | N | 76.1 | Confident | 77.5 | Confident | 45 Ų | 45 | 42.8 Ų | 42.8 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 143.5 | 166.5 | -63.4 | -85.4 | 0 | 0 | 0 | 110.1 | P102 F103 E104 Y283 I284 E285 | P102-N290 WeakPolarHBondContact CA-O 3.38Å; F103-N290 HydrophobicContact CB-CB 4.28Å; F103-N290 HydrophobicContact CD2-CB 3.43Å; F103-N290 VanDerWaalsContact CD2-CB 3.43Å; F103-N290 WeakPolarHBondContact CD2-O 3.18Å; F103-N290 HydrophobicContact CE2-CB 4.05Å; F103-N290 HydrophobicContact CG-CB 4.23Å; F103-N290 PolarHBondContact N-O 3.34Å; E104-N290 WeakPolarHBondContact OE1-CB 3.32Å; E104-N290 PolarHBondContact OE1-N 3.27Å; E104-N290 PolarHBondContact OE1-ND2 2.98Å; Y283-N290 HydrophobicContact CD2-CB 4.3Å; Y283-N290 WeakPolarHBondContact CD2-OD1 3.49Å; Y283-N290 VanDerWaalsContact CE2-OD1 3.24Å; Y283-N290 WeakPolarHBondContact CE2-OD1 3.35Å; I284-N290 CarbonylContact O-C 3.55Å; I284-N290 WeakPolarHBondContact O-CA 3.35Å; E285-N290 WeakPolarHBondContact CG-OD1 3.25Å |
| 291 | F | 81.6 | Confident | 79 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139.4 | 173.2 | -63.3 | -88.6 | 0 | 0 | 0 | 110.3 | M100 P102 Y283 I284 I286 H289 L371 Y374 C375 | M100-F291 VanDerWaalsContact O-CE1 3.27Å; M100-F291 WeakPolarHBondContact O-CE1 3.47Å; P102-F291 HydrophobicContact CG-CE1 3.83Å; P102-F291 HydrophobicContact CG-CZ 3.89Å; Y283-F291 CarbonylContact C-O 3.31Å; Y283-F291 WeakPolarHBondContact CA-O 3.22Å; Y283-F291 WeakPolarHBondContact CB-O 3.43Å; I284-F291 PolarHBondContact N-O 3.39Å; I284-F291 PolarHBondContact O-N 3.05Å; I286-F291 HydrophobicContact CB-CD2 4.47Å; I286-F291 HydrophobicContact CB-CE2 4.11Å; I286-F291 HydrophobicContact CD1-CD2 3.93Å; I286-F291 HydrophobicContact CD1-CE2 4Å; I286-F291 HydrophobicContact CG1-CD2 4.33Å; I286-F291 HydrophobicContact CG1-CE2 4.38Å; H289-F291 HydrophobicContact CB-CD2 4.45Å; H289-F291 HydrophobicContact CB-CE2 3.58Å; H289-F291 HydrophobicContact CB-CZ 3.91Å; F291-L371 HydrophobicContact CB-CD1 3.84Å; F291-L371 HydrophobicContact CB-CD2 4.4Å; F291-L371 HydrophobicContact CD1-CD2 3.98Å; F291-L371 HydrophobicContact CD2-CD1 4.47Å; F291-L371 HydrophobicContact CE1-CD2 4.5Å; F291-L371 HydrophobicContact CG-CD1 4.12Å; F291-L371 HydrophobicContact CG-CD2 4.14Å; F291-Y374 HydrophobicContact CE1-CD1 4.48Å; F291-C375 WeakPolarHBondContact CZ-SG 3.42Å |
| 292 | S | 79 | Confident | 79.8 | Confident | 13 Ų | 13 | 37.2 Ų | 37.2 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 149 | -179.8 | 40 | 0 | 0 | 0 | 0 | 111.7 | Y99 R367 | Y99-S292 WeakPolarHBondContact CA-OG 3.41Å; Y99-S292 WeakPolarHBondContact CD1-OG 3.48Å; S292-R367 PolarHBondContact O-NH1 2.74Å; S292-R367 PolarHBondContact O-NH2 2.87Å |
| 293 | Q | 81.3 | Confident | 80.6 | Confident | 12 Ų | 12 | 34.3 Ų | 34.3 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -75.7 | 151.9 | 162.9 | -56.8 | -64.2 | 2.2 | 0 | 0 | 109.9 | Q281 S282 P295 Y298 Y364 R367 | Q281-Q293 VanDerWaalsContact O-CG 3.25Å; Q281-Q293 WeakPolarHBondContact O-CG 3.17Å; Q281-Q293 PolarHBondContact O-NE2 3.3Å; S282-Q293 WeakPolarHBondContact O-CG 3.31Å; S282-Q293 PolarHBondContact O-N 3.27Å; Q293-P295 WeakPolarHBondContact O-CD 3.22Å; Q293-Y298 HydrophobicContact CB-CD2 4.43Å; Q293-Y298 HydrophobicContact CG-CD2 4.37Å; Q293-Y364 HydrophobicContact CG-CE1 4.33Å; Q293-R367 VanDerWaalsContact OE1-NH1 3.17Å |
| 294 | N | 84.4 | Confident | 81.5 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.011 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -60.2 | 119.3 | 164.6 | 179.5 | -52.7 | 0 | 0 | 0 | 109.2 | F91 Y99 S296 V297 Y298 D391 | F91-N294 WeakPolarHBondContact CD1-ND2 3.48Å; F91-N294 WeakPolarHBondContact CD2-ND2 3.35Å; F91-N294 WeakPolarHBondContact CE1-ND2 3.37Å; F91-N294 WeakPolarHBondContact CE2-ND2 3.36Å; F91-N294 WeakPolarHBondContact CG-ND2 3.48Å; Y99-N294 HydrophobicContact CD2-CB 4.35Å; Y99-N294 HydrophobicContact CE2-CB 4.37Å; N294-S296 VanDerWaalsContact C-N 3.27Å; N294-S296 PolarHBondContact O-N 2.97Å; N294-S296 WeakPolarHBondContact OD1-CB 3.3Å; N294-S296 PolarHBondContact OD1-N 3.45Å; N294-V297 HydrophobicContact CB-CB 4.23Å; N294-V297 HydrophobicContact CB-CG2 4.07Å; N294-V297 PolarHBondContact O-N 3.01Å; N294-V297 PolarHBondContact OD1-N 3.34Å; N294-V297 VanDerWaalsContact OD1-N 3.13Å; N294-Y298 VanDerWaalsContact O-CB 3.3Å; N294-Y298 WeakPolarHBondContact O-CB 3.37Å; N294-Y298 PolarHBondContact O-N 3.46Å; N294-D391 HydrophobicContact CB-CB 4.22Å; N294-D391 WeakPolarHBondContact CB-OD2 3.46Å |
| 295 | P | 79.7 | Confident | 82 | Confident | 47 Ų | 47 | 30.2 Ų | 30.2 | 31% | 0.305 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -67.6 | -28.5 | -171.7 | 26.1 | -34 | 0 | 0 | 0 | 112.4 | Y99 Q293 C299 | Y99-P295 VanDerWaalsContact OH-CD 3.27Å; Y99-P295 WeakPolarHBondContact OH-CD 3.47Å; Y99-P295 WeakPolarHBondContact OH-CG 3.22Å; Q293-P295 WeakPolarHBondContact O-CD 3.22Å; P295-C299 VanDerWaalsContact O-CB 3.27Å; P295-C299 WeakPolarHBondContact O-CB 3.38Å; P295-C299 PolarHBondContact O-N 2.88Å |
| 296 | S | 81.5 | Confident | 82.1 | Confident | 4 Ų | 4 | 26.5 Ų | 26.5 | 3% | 0.028 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72.4 | -44.7 | 179.1 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | P90 L259 N294 L300 | P90-S296 VanDerWaalsContact CG-OG 3.27Å; P90-S296 WeakPolarHBondContact CG-OG 3.39Å; L259-S296 WeakPolarHBondContact CD1-OG 3.34Å; N294-S296 VanDerWaalsContact C-N 3.27Å; N294-S296 PolarHBondContact O-N 2.97Å; N294-S296 WeakPolarHBondContact OD1-CB 3.3Å; N294-S296 PolarHBondContact OD1-N 3.45Å; S296-L300 WeakPolarHBondContact O-CB 3.33Å; S296-L300 PolarHBondContact O-N 3.22Å |
| 297 | V | 86.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.1 | -43.1 | 173.7 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | F91 N294 C299 L300 H301 Y363 D391 Q394 | F91-V297 HydrophobicContact CE1-CG2 4.36Å; F91-V297 HydrophobicContact CZ-CG2 4.37Å; N294-V297 HydrophobicContact CB-CB 4.23Å; N294-V297 HydrophobicContact CB-CG2 4.07Å; N294-V297 PolarHBondContact O-N 3.01Å; N294-V297 PolarHBondContact OD1-N 3.34Å; N294-V297 VanDerWaalsContact OD1-N 3.13Å; V297-C299 PolarHBondContact O-N 3.45Å; V297-L300 PolarHBondContact O-N 3.26Å; V297-H301 PolarHBondContact O-CD2 3.14Å; V297-H301 PolarHBondContact O-N 3.34Å; V297-Y363 HydrophobicContact CG1-CE1 3.85Å; V297-Y363 HydrophobicContact CG1-CE2 4.09Å; V297-D391 HydrophobicContact CG2-CB 4.16Å; V297-D391 WeakPolarHBondContact CG2-O 3.45Å; V297-Q394 HydrophobicContact CG1-CB 4.15Å; V297-Q394 HydrophobicContact CG1-CG 3.68Å |
| 298 | Y | 82.4 | Confident | 83 | Confident | 51 Ų | 51 | 21.9 Ų | 21.9 | 20% | 0.2 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.5 | -46.6 | 177.3 | -176.7 | -101.4 | 0 | 0 | 0 | 112.6 | F263 A280 Q293 N294 H301 G302 | F263-Y298 HydrophobicContact CE2-CD1 4.08Å; F263-Y298 AromaticContact CE2-CE1 3.6Å; F263-Y298 HydrophobicContact CE2-CE1 3.6Å; F263-Y298 AromaticContact CZ-CE1 3.91Å; F263-Y298 HydrophobicContact CZ-CE1 3.91Å; A280-Y298 HydrophobicContact CB-CD2 3.94Å; A280-Y298 HydrophobicContact CB-CE2 3.59Å; A280-Y298 WeakPolarHBondContact O-CE2 3.29Å; A280-Y298 PolarHBondContact O-OH 2.92Å; Q293-Y298 HydrophobicContact CB-CD2 4.43Å; Q293-Y298 HydrophobicContact CG-CD2 4.37Å; N294-Y298 VanDerWaalsContact O-CB 3.3Å; N294-Y298 WeakPolarHBondContact O-CB 3.37Å; N294-Y298 PolarHBondContact O-N 3.46Å; Y298-H301 WeakPolarHBondContact O-CB 3.16Å; Y298-H301 PolarHBondContact O-N 2.92Å; Y298-G302 PolarHBondContact O-N 2.93Å; Y298-G302 VanDerWaalsContact O-N 3.16Å |
| 299 | C | 81 | Confident | 83.5 | Confident | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.014 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 175.6 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | L259 P295 V297 H301 G302 L303 | L259-C299 HydrophobicContact CD2-CB 4.33Å; P295-C299 VanDerWaalsContact O-CB 3.27Å; P295-C299 WeakPolarHBondContact O-CB 3.38Å; P295-C299 PolarHBondContact O-N 2.88Å; V297-C299 PolarHBondContact O-N 3.45Å; C299-H301 VanDerWaalsContact C-N 3.29Å; C299-H301 PolarHBondContact O-N 3.41Å; C299-G302 PolarHBondContact O-N 3.11Å; C299-G302 VanDerWaalsContact O-N 3.15Å; C299-L303 PolarHBondContact O-N 3.06Å; C299-L303 VanDerWaalsContact O-N 3.1Å |
| 300 | L | 86.2 | Confident | 84 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.7 | -35.9 | 175.2 | -83.8 | 178.8 | 0 | 0 | 0 | 113 | F85 S296 V297 L303 V304 Y395 C398 L402 | F85-L300 HydrophobicContact CB-CD2 4.47Å; F85-L300 HydrophobicContact CD1-CD1 4.06Å; F85-L300 HydrophobicContact CD1-CD2 3.55Å; F85-L300 HydrophobicContact CD1-CG 3.69Å; F85-L300 HydrophobicContact CD2-CD2 3.96Å; F85-L300 HydrophobicContact CE1-CD1 4.35Å; F85-L300 HydrophobicContact CE1-CD2 3.66Å; F85-L300 HydrophobicContact CE1-CG 3.57Å; F85-L300 HydrophobicContact CE2-CD2 4.09Å; F85-L300 HydrophobicContact CG-CD2 3.7Å; F85-L300 HydrophobicContact CG-CG 4.36Å; F85-L300 HydrophobicContact CZ-CD2 3.94Å; F85-L300 HydrophobicContact CZ-CG 4.18Å; S296-L300 WeakPolarHBondContact O-CB 3.33Å; S296-L300 PolarHBondContact O-N 3.22Å; V297-L300 PolarHBondContact O-N 3.26Å; L300-L303 PolarHBondContact O-N 2.71Å; L300-V304 WeakPolarHBondContact O-CB 3.28Å; L300-V304 VanDerWaalsContact O-CG2 3.25Å; L300-V304 WeakPolarHBondContact O-CG2 3.32Å; L300-V304 PolarHBondContact O-N 3.29Å; L300-Y395 HydrophobicContact CD1-CD2 3.34Å; L300-Y395 HydrophobicContact CD1-CE2 3.53Å; L300-Y395 HydrophobicContact CD1-CG 3.93Å; L300-Y395 HydrophobicContact CG-CE2 4.5Å; L300-C398 HydrophobicContact CB-CB 3.83Å; L300-C398 HydrophobicContact CD1-CB 3.99Å; L300-C398 HydrophobicContact CG-CB 4.37Å; L300-L402 HydrophobicContact CD2-CD1 4.19Å |
| 301 | H | 87.8 | Confident | 84.8 | Confident | 4 Ų | 4 | 12.2 Ų | 12.2 | 2% | 0.019 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 174.4 | -86.8 | -129.2 | 0 | 0 | 0 | 112.1 | V297 Y298 C299 N305 M360 Y363 Y364 Q394 C398 | V297-H301 PolarHBondContact O-CD2 3.14Å; V297-H301 PolarHBondContact O-N 3.34Å; Y298-H301 WeakPolarHBondContact O-CB 3.16Å; Y298-H301 PolarHBondContact O-N 2.92Å; C299-H301 VanDerWaalsContact C-N 3.29Å; C299-H301 PolarHBondContact O-N 3.41Å; H301-N305 VanDerWaalsContact O-CB 3.28Å; H301-N305 WeakPolarHBondContact O-CB 3.35Å; H301-N305 PolarHBondContact O-N 3.47Å; H301-M360 HydrophobicContact CB-CE 3.77Å; H301-M360 VanDerWaalsContact O-CE 3.32Å; H301-M360 WeakPolarHBondContact O-CE 3.27Å; H301-Y363 AromaticContact CE1-CD1 3.56Å; H301-Y363 AromaticContact NE2-CD1 3.86Å; H301-Y364 AromaticContact CE1-CE2 3.35Å; H301-Y364 WeakPolarHBondContact CE1-CE2 3.37Å; H301-Y364 AromaticContact CE1-CZ 3.78Å; H301-Y364 AromaticContact ND1-CE2 3.22Å; H301-Y364 WeakPolarHBondContact ND1-CE2 3.46Å; H301-Y364 AromaticContact ND1-CZ 3.54Å; H301-Y364 PolarHBondContact ND1-OH 3.14Å; H301-Y364 VanDerWaalsContact ND1-OH 3.09Å; H301-Q394 PolarHBondContact CE1-NE2 3.08Å; H301-Q394 VanDerWaalsContact CE1-NE2 3.26Å; H301-Q394 VanDerWaalsContact NE2-CG 3.31Å; H301-Q394 WeakPolarHBondContact NE2-CG 3.25Å; H301-Q394 PolarHBondContact NE2-NE2 3.39Å; H301-C398 VanDerWaalsContact CD2-SG 3.59Å |
| 302 | G | 80.9 | Confident | 85.1 | Confident | 9 Ų | 9 | 14.4 Ų | 14.4 | 9% | 0.093 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.2 | -48.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | W266 Y298 C299 N305 W306 | W266-G302 VanDerWaalsContact CH2-CA 3.49Å; W266-G302 WeakPolarHBondContact CZ2-O 3.44Å; W266-G302 PolarHBondContact NE1-O 3.2Å; Y298-G302 PolarHBondContact O-N 2.93Å; Y298-G302 VanDerWaalsContact O-N 3.16Å; C299-G302 PolarHBondContact O-N 3.11Å; C299-G302 VanDerWaalsContact O-N 3.15Å; G302-N305 PolarHBondContact O-N 3.49Å; G302-W306 WeakPolarHBondContact O-CB 3.22Å; G302-W306 PolarHBondContact O-N 3.34Å |
| 303 | L | 84.9 | Confident | 85.4 | Confident | 7 Ų | 7 | 17.8 Ų | 17.8 | 4% | 0.037 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 179.4 | -69.4 | 161.2 | 0 | 0 | 0 | 112.7 | I81 F85 W266 C299 L300 W306 E307 | I81-L303 HydrophobicContact CD1-CD2 4.02Å; I81-L303 HydrophobicContact CG1-CD2 4.26Å; I81-L303 HydrophobicContact CG2-CD1 4.12Å; F85-L303 HydrophobicContact CD2-CD1 4.36Å; F85-L303 HydrophobicContact CE2-CD1 3.31Å; F85-L303 HydrophobicContact CZ-CD1 3.52Å; W266-L303 HydrophobicContact CB-CD2 4.23Å; W266-L303 HydrophobicContact CG-CD2 3.99Å; W266-L303 HydrophobicContact CG-CG 4.38Å; C299-L303 PolarHBondContact O-N 3.06Å; C299-L303 VanDerWaalsContact O-N 3.1Å; L300-L303 PolarHBondContact O-N 2.71Å; L303-W306 PolarHBondContact O-N 3.22Å; L303-E307 PolarHBondContact O-N 3.4Å |
| 304 | V | 90.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63 | -44.8 | 176.1 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | L300 E307 L308 I356 M360 C398 R401 L402 M405 | L300-V304 WeakPolarHBondContact O-CB 3.28Å; L300-V304 VanDerWaalsContact O-CG2 3.25Å; L300-V304 WeakPolarHBondContact O-CG2 3.32Å; L300-V304 PolarHBondContact O-N 3.29Å; V304-E307 PolarHBondContact O-N 3.3Å; V304-L308 VanDerWaalsContact O-CB 3.25Å; V304-L308 WeakPolarHBondContact O-CB 3.5Å; V304-L308 PolarHBondContact O-N 2.91Å; V304-I356 HydrophobicContact CG1-CG2 3.68Å; V304-M360 HydrophobicContact CB-CE 4.38Å; V304-M360 HydrophobicContact CB-SD 4.19Å; V304-M360 HydrophobicContact CG1-CE 4.33Å; V304-M360 HydrophobicContact CG1-SD 3.54Å; V304-M360 VanDerWaalsContact CG1-SD 3.54Å; V304-C398 HydrophobicContact CG2-CB 3.83Å; V304-R401 HydrophobicContact CG1-CB 4.46Å; V304-L402 HydrophobicContact CG2-CD1 4.26Å; V304-L402 HydrophobicContact CG2-CD2 4.25Å; V304-L402 HydrophobicContact CG2-CG 3.89Å; V304-M405 HydrophobicContact CG1-CE 4.31Å |
| 305 | N | 86.1 | Confident | 86.1 | Confident | 5 Ų | 5 | 17.5 Ų | 17.5 | 3% | 0.027 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.8 | -39.2 | 179.7 | -175.3 | 81.4 | 0 | 0 | 0 | 111.8 | H301 G302 L308 M309 M360 | H301-N305 VanDerWaalsContact O-CB 3.28Å; H301-N305 WeakPolarHBondContact O-CB 3.35Å; H301-N305 PolarHBondContact O-N 3.47Å; G302-N305 PolarHBondContact O-N 3.49Å; N305-L308 PolarHBondContact O-N 2.85Å; N305-M309 WeakPolarHBondContact O-CG 3.1Å; N305-M309 PolarHBondContact O-N 3.1Å; N305-M360 HydrophobicContact CB-CE 4.2Å |
| 306 | W | 83.2 | Confident | 86.5 | Confident | 35 Ų | 35 | 18.2 Ų | 18.2 | 13% | 0.133 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.7 | -47.1 | 175.2 | 179.1 | 70.7 | 0 | 0 | 0 | 112.1 | I81 W266 G302 L303 L308 M309 I310 | I81-W306 HydrophobicContact CD1-CZ3 4.36Å; W266-W306 AromaticContact NE1-CG 3.94Å; G302-W306 WeakPolarHBondContact O-CB 3.22Å; G302-W306 PolarHBondContact O-N 3.34Å; L303-W306 PolarHBondContact O-N 3.22Å; W306-L308 VanDerWaalsContact C-N 3.35Å; W306-L308 PolarHBondContact O-N 3.38Å; W306-M309 PolarHBondContact O-N 3.39Å; W306-I310 HydrophobicContact CD2-CD1 4.03Å; W306-I310 HydrophobicContact CG-CD1 4.44Å; W306-I310 HydrophobicContact CZ2-CD1 3.83Å; W306-I310 PolarHBondContact O-N 2.93Å |
| 307 | E | 89.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.9 | -40.5 | 176.3 | -166.8 | 63.4 | -129.5 | 0 | 0 | 111.6 | R74 V78 L303 V304 M309 I310 F311 L402 M405 Y409 | R74-E307 IonicContact CZ-OE1 3.86Å; R74-E307 IonicContact CZ-OE2 2.76Å; R74-E307 IonicContact NE-OE1 3.69Å; R74-E307 PolarHBondContact NE-OE1 2.83Å; R74-E307 VanDerWaalsContact NE-OE1 3.1Å; R74-E307 IonicContact NE-OE2 2.77Å; R74-E307 IonicContact NH2-OE1 2.72Å; R74-E307 PolarHBondContact NH2-OE1 3.02Å; R74-E307 IonicContact NH2-OE2 2.86Å; R74-E307 PolarHBondContact NH2-OE2 3.13Å; V78-E307 HydrophobicContact CG2-CG 3.64Å; V78-E307 WeakPolarHBondContact CG2-OE2 3.44Å; L303-E307 PolarHBondContact O-N 3.4Å; V304-E307 PolarHBondContact O-N 3.3Å; E307-M309 VanDerWaalsContact C-N 3.34Å; E307-M309 PolarHBondContact O-N 3.14Å; E307-I310 PolarHBondContact O-N 3.47Å; E307-F311 VanDerWaalsContact O-CB 3.24Å; E307-F311 WeakPolarHBondContact O-CB 3.29Å; E307-F311 PolarHBondContact O-N 2.65Å; E307-L402 HydrophobicContact CB-CD2 4.26Å; E307-M405 HydrophobicContact CB-CE 3.89Å; E307-M405 HydrophobicContact CB-SD 4.15Å; E307-M405 HydrophobicContact CG-CB 4.37Å; E307-M405 HydrophobicContact CG-CE 3.94Å; E307-M405 HydrophobicContact CG-SD 3.87Å; E307-Y409 VanDerWaalsContact OE1-CE2 3.23Å; E307-Y409 WeakPolarHBondContact OE1-CE2 3.31Å; E307-Y409 PolarHBondContact OE1-OH 3.38Å |
| 308 | L | 90.2 | Very high | 86.8 | Confident | 9 Ų | 9 | 23.6 Ų | 23.6 | 5% | 0.047 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.3 | -43.3 | 179.3 | 179.9 | 62.3 | 0 | 0 | 0 | 112.2 | V304 N305 W306 F311 L312 V353 I356 R357 M405 | V304-L308 VanDerWaalsContact O-CB 3.25Å; V304-L308 WeakPolarHBondContact O-CB 3.5Å; V304-L308 PolarHBondContact O-N 2.91Å; N305-L308 PolarHBondContact O-N 2.85Å; W306-L308 VanDerWaalsContact C-N 3.35Å; W306-L308 PolarHBondContact O-N 3.38Å; L308-F311 PolarHBondContact O-N 3.45Å; L308-L312 HydrophobicContact CD1-CD1 4.2Å; L308-L312 HydrophobicContact CD1-CG 4.28Å; L308-L312 HydrophobicContact CG-CD1 4.2Å; L308-L312 WeakPolarHBondContact O-CB 3.49Å; L308-L312 VanDerWaalsContact O-CG 3.27Å; L308-L312 WeakPolarHBondContact O-CG 3.47Å; L308-L312 PolarHBondContact O-N 3.18Å; L308-V353 HydrophobicContact CD1-CB 3.74Å; L308-V353 HydrophobicContact CD1-CG2 3.81Å; L308-I356 HydrophobicContact CD2-CB 4.26Å; L308-I356 HydrophobicContact CD2-CG2 4.26Å; L308-R357 HydrophobicContact CD2-CB 4.23Å; L308-M405 HydrophobicContact CB-SD 4.41Å |
| 309 | M | 84.8 | Confident | 87.3 | Confident | 32 Ų | 32 | 21.4 Ų | 21.4 | 16% | 0.158 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 176.4 | -66.8 | -163.3 | -49.7 | 0 | 0 | 112 | L272 N276 Y277 N305 W306 E307 L312 E313 | L272-M309 HydrophobicContact CB-CE 4.5Å; L272-M309 HydrophobicContact CD1-CE 4.2Å; N276-M309 HydrophobicContact CB-SD 3.66Å; Y277-M309 HydrophobicContact CD1-CE 4.08Å; Y277-M309 HydrophobicContact CE1-CE 3.38Å; Y277-M309 HydrophobicContact CE1-SD 4.42Å; Y277-M309 HydrophobicContact CE2-CE 4.44Å; N305-M309 WeakPolarHBondContact O-CG 3.1Å; N305-M309 PolarHBondContact O-N 3.1Å; W306-M309 PolarHBondContact O-N 3.39Å; E307-M309 VanDerWaalsContact C-N 3.34Å; E307-M309 PolarHBondContact O-N 3.14Å; M309-L312 PolarHBondContact O-N 2.62Å; M309-E313 PolarHBondContact O-N 3.4Å |
| 310 | I | 87.2 | Confident | 87.5 | Confident | 22 Ų | 22 | 25.3 Ų | 25.3 | 11% | 0.113 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.9 | -38.2 | -178.7 | -64.7 | 174.2 | 0 | 0 | 0 | 110.7 | R74 W306 E307 E313 M314 | R74-I310 HydrophobicContact CG-CG2 4.1Å; W306-I310 HydrophobicContact CD2-CD1 4.03Å; W306-I310 HydrophobicContact CG-CD1 4.44Å; W306-I310 HydrophobicContact CZ2-CD1 3.83Å; W306-I310 PolarHBondContact O-N 2.93Å; E307-I310 PolarHBondContact O-N 3.47Å; I310-E313 PolarHBondContact O-N 3.38Å; I310-M314 HydrophobicContact CG2-CG 4.19Å; I310-M314 VanDerWaalsContact O-CB 3.27Å; I310-M314 WeakPolarHBondContact O-CB 3.5Å; I310-M314 VanDerWaalsContact O-CG 3.31Å; I310-M314 WeakPolarHBondContact O-CG 3.42Å; I310-M314 PolarHBondContact O-N 3.49Å |
| 311 | F | 92.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.4 | -52.6 | 175.1 | -173.3 | -79.8 | 0 | 0 | 0 | 110.8 | E307 L308 E313 M314 F315 A349 V353 M405 H408 Y409 | E307-F311 VanDerWaalsContact O-CB 3.24Å; E307-F311 WeakPolarHBondContact O-CB 3.29Å; E307-F311 PolarHBondContact O-N 2.65Å; L308-F311 PolarHBondContact O-N 3.45Å; F311-E313 VanDerWaalsContact C-N 3.34Å; F311-E313 PolarHBondContact O-N 3.2Å; F311-M314 PolarHBondContact O-N 3.46Å; F311-F315 AromaticContact CD1-CD2 3.9Å; F311-F315 HydrophobicContact CD1-CD2 3.9Å; F311-F315 HydrophobicContact CD1-CE2 4.29Å; F311-F315 HydrophobicContact CD1-CG 4.21Å; F311-F315 HydrophobicContact CD2-CD2 4.16Å; F311-F315 AromaticContact CD2-CE2 3.85Å; F311-F315 HydrophobicContact CD2-CE2 3.85Å; F311-F315 HydrophobicContact CE1-CD1 4.03Å; F311-F315 AromaticContact CE1-CD2 3.75Å; F311-F315 HydrophobicContact CE1-CD2 3.75Å; F311-F315 HydrophobicContact CE1-CE1 4.16Å; F311-F315 AromaticContact CE1-CE2 3.91Å; F311-F315 HydrophobicContact CE1-CE2 3.91Å; F311-F315 AromaticContact CE1-CG 3.84Å; F311-F315 HydrophobicContact CE1-CG 3.84Å; F311-F315 HydrophobicContact CE1-CZ 4.14Å; F311-F315 AromaticContact CE2-CD2 4Å; F311-F315 HydrophobicContact CE2-CD2 4Å; F311-F315 HydrophobicContact CE2-CE1 4.45Å; F311-F315 AromaticContact CE2-CE2 3.39Å; F311-F315 HydrophobicContact CE2-CE2 3.39Å; F311-F315 AromaticContact CE2-CZ 3.69Å; F311-F315 HydrophobicContact CE2-CZ 3.69Å; F311-F315 HydrophobicContact CG-CD2 4.12Å; F311-F315 HydrophobicContact CG-CE2 4.28Å; F311-F315 HydrophobicContact CZ-CD1 4.11Å; F311-F315 AromaticContact CZ-CD2 3.81Å; F311-F315 HydrophobicContact CZ-CD2 3.81Å; F311-F315 AromaticContact CZ-CE1 3.76Å; F311-F315 HydrophobicContact CZ-CE1 3.76Å; F311-F315 AromaticContact CZ-CE2 3.45Å; F311-F315 HydrophobicContact CZ-CE2 3.45Å; F311-F315 VanDerWaalsContact CZ-CE2 3.45Å; F311-F315 HydrophobicContact CZ-CG 4.15Å; F311-F315 AromaticContact CZ-CZ 3.45Å; F311-F315 HydrophobicContact CZ-CZ 3.45Å; F311-F315 VanDerWaalsContact CZ-CZ 3.45Å; F311-F315 WeakPolarHBondContact O-CB 3.42Å; F311-F315 VanDerWaalsContact O-CD2 3.29Å; F311-F315 WeakPolarHBondContact O-CD2 3.25Å; F311-F315 PolarHBondContact O-N 3.08Å; F311-A349 HydrophobicContact CZ-CB 4.25Å; F311-V353 HydrophobicContact CD1-CB 4.37Å; F311-V353 HydrophobicContact CD1-CG1 4.12Å; F311-V353 HydrophobicContact CD1-CG2 3.55Å; F311-V353 HydrophobicContact CE1-CB 4.28Å; F311-V353 HydrophobicContact CE1-CG1 3.73Å; F311-V353 HydrophobicContact CE1-CG2 3.56Å; F311-V353 HydrophobicContact CZ-CG1 3.97Å; F311-M405 HydrophobicContact CB-SD 4.24Å; F311-M405 HydrophobicContact CD2-CB 3.77Å; F311-M405 HydrophobicContact CD2-CG 3.8Å; F311-M405 HydrophobicContact CD2-SD 4.41Å; F311-M405 HydrophobicContact CE2-CB 4.03Å; F311-M405 HydrophobicContact CE2-CG 4.11Å; F311-M405 HydrophobicContact CG-CG 4.25Å; F311-M405 HydrophobicContact CG-SD 4.4Å; F311-H408 HydrophobicContact CE2-CB 3.6Å; F311-H408 HydrophobicContact CZ-CB 3.63Å; F311-Y409 VanDerWaalsContact CA-OH 3.3Å; F311-Y409 WeakPolarHBondContact CA-OH 3.49Å; F311-Y409 HydrophobicContact CD2-CD1 4.49Å; F311-Y409 AromaticContact CD2-CE1 3.91Å; F311-Y409 HydrophobicContact CD2-CE1 3.91Å; F311-Y409 AromaticContact CD2-CE2 3.95Å; F311-Y409 HydrophobicContact CD2-CE2 3.95Å; F311-Y409 AromaticContact CD2-CZ 3.63Å; F311-Y409 HydrophobicContact CE2-CE1 4.47Å; F311-Y409 PolarHBondContact N-OH 2.94Å |
| 312 | L | 88.5 | Confident | 87.6 | Confident | 49 Ų | 49 | 25.9 Ų | 25.9 | 26% | 0.257 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -59.3 | -44.7 | 178.8 | -70.6 | 171.7 | 0 | 0 | 0 | 111.4 | L308 M309 C316 V350 V353 | L308-L312 HydrophobicContact CD1-CD1 4.2Å; L308-L312 HydrophobicContact CD1-CG 4.28Å; L308-L312 HydrophobicContact CG-CD1 4.2Å; L308-L312 WeakPolarHBondContact O-CB 3.49Å; L308-L312 VanDerWaalsContact O-CG 3.27Å; L308-L312 WeakPolarHBondContact O-CG 3.47Å; L308-L312 PolarHBondContact O-N 3.18Å; M309-L312 PolarHBondContact O-N 2.62Å; L312-C316 WeakPolarHBondContact O-CB 3.48Å; L312-C316 PolarHBondContact O-N 3Å; L312-C316 PolarHBondContact O-SG 3.28Å; L312-V350 HydrophobicContact CD2-CG1 3.84Å; L312-V353 HydrophobicContact CD2-CG2 3.88Å; L312-V353 HydrophobicContact CG-CG2 4.48Å |
| 313 | E | 85.8 | Confident | 87.9 | Confident | 83 Ų | 83 | 29.9 Ų | 29.9 | 39% | 0.388 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -62.4 | -48.9 | 177.2 | -174.2 | 179.1 | -178.7 | 0 | 0 | 112.3 | M309 I310 F311 F315 C316 R317 | M309-E313 PolarHBondContact O-N 3.4Å; I310-E313 PolarHBondContact O-N 3.38Å; F311-E313 VanDerWaalsContact C-N 3.34Å; F311-E313 PolarHBondContact O-N 3.2Å; E313-F315 PolarHBondContact O-N 2.78Å; E313-C316 PolarHBondContact O-N 3.43Å; E313-R317 WeakPolarHBondContact O-CG 3.06Å; E313-R317 PolarHBondContact O-N 3.36Å; E313-R317 IonicContact OE1-CZ 2.65Å; E313-R317 VanDerWaalsContact OE1-CZ 3.25Å; E313-R317 IonicContact OE1-NE 3.6Å; E313-R317 PolarHBondContact OE1-NE 2.94Å; E313-R317 VanDerWaalsContact OE1-NE 3.14Å; E313-R317 IonicContact OE1-NH2 3.1Å; E313-R317 PolarHBondContact OE1-NH2 3.38Å |
| 314 | M | 86.1 | Confident | 87.8 | Confident | 9 Ų | 9 | 32 Ų | 32 | 4% | 0.044 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.6 | -37.1 | -177.7 | -76.1 | -57 | -45 | 0 | 0 | 112.6 | Q70 F71 I310 F311 R317 A318 | Q70-M314 HydrophobicContact CB-CE 3.37Å; Q70-M314 HydrophobicContact CB-SD 3.97Å; Q70-M314 HydrophobicContact CG-CE 3.98Å; Q70-M314 HydrophobicContact CG-SD 4.23Å; F71-M314 HydrophobicContact CD1-CE 4.4Å; F71-M314 HydrophobicContact CE1-CB 4.09Å; F71-M314 HydrophobicContact CE1-CE 4.34Å; I310-M314 HydrophobicContact CG2-CG 4.19Å; I310-M314 VanDerWaalsContact O-CB 3.27Å; I310-M314 WeakPolarHBondContact O-CB 3.5Å; I310-M314 VanDerWaalsContact O-CG 3.31Å; I310-M314 WeakPolarHBondContact O-CG 3.42Å; I310-M314 PolarHBondContact O-N 3.49Å; F311-M314 PolarHBondContact O-N 3.46Å; M314-R317 PolarHBondContact O-N 3.42Å; M314-A318 PolarHBondContact O-N 2.92Å |
| 315 | F | 93.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.3 | -39 | 175.3 | -85.4 | -114.6 | 0 | 0 | 0 | 111.9 | F71 F311 E313 A318 I319 L346 A349 V350 H408 Y409 M412 | F71-F315 HydrophobicContact CE1-CD2 4.06Å; F71-F315 AromaticContact CE1-CE2 3.91Å; F71-F315 HydrophobicContact CE1-CE2 3.91Å; F71-F315 HydrophobicContact CZ-CD2 4.3Å; F71-F315 HydrophobicContact CZ-CE2 4.11Å; F71-F315 HydrophobicContact CZ-CZ 4.43Å; F311-F315 AromaticContact CD1-CD2 3.9Å; F311-F315 HydrophobicContact CD1-CD2 3.9Å; F311-F315 HydrophobicContact CD1-CE2 4.29Å; F311-F315 HydrophobicContact CD1-CG 4.21Å; F311-F315 HydrophobicContact CD2-CD2 4.16Å; F311-F315 AromaticContact CD2-CE2 3.85Å; F311-F315 HydrophobicContact CD2-CE2 3.85Å; F311-F315 HydrophobicContact CE1-CD1 4.03Å; F311-F315 AromaticContact CE1-CD2 3.75Å; F311-F315 HydrophobicContact CE1-CD2 3.75Å; F311-F315 HydrophobicContact CE1-CE1 4.16Å; F311-F315 AromaticContact CE1-CE2 3.91Å; F311-F315 HydrophobicContact CE1-CE2 3.91Å; F311-F315 AromaticContact CE1-CG 3.84Å; F311-F315 HydrophobicContact CE1-CG 3.84Å; F311-F315 HydrophobicContact CE1-CZ 4.14Å; F311-F315 AromaticContact CE2-CD2 4Å; F311-F315 HydrophobicContact CE2-CD2 4Å; F311-F315 HydrophobicContact CE2-CE1 4.45Å; F311-F315 AromaticContact CE2-CE2 3.39Å; F311-F315 HydrophobicContact CE2-CE2 3.39Å; F311-F315 AromaticContact CE2-CZ 3.69Å; F311-F315 HydrophobicContact CE2-CZ 3.69Å; F311-F315 HydrophobicContact CG-CD2 4.12Å; F311-F315 HydrophobicContact CG-CE2 4.28Å; F311-F315 HydrophobicContact CZ-CD1 4.11Å; F311-F315 AromaticContact CZ-CD2 3.81Å; F311-F315 HydrophobicContact CZ-CD2 3.81Å; F311-F315 AromaticContact CZ-CE1 3.76Å; F311-F315 HydrophobicContact CZ-CE1 3.76Å; F311-F315 AromaticContact CZ-CE2 3.45Å; F311-F315 HydrophobicContact CZ-CE2 3.45Å; F311-F315 VanDerWaalsContact CZ-CE2 3.45Å; F311-F315 HydrophobicContact CZ-CG 4.15Å; F311-F315 AromaticContact CZ-CZ 3.45Å; F311-F315 HydrophobicContact CZ-CZ 3.45Å; F311-F315 VanDerWaalsContact CZ-CZ 3.45Å; F311-F315 WeakPolarHBondContact O-CB 3.42Å; F311-F315 VanDerWaalsContact O-CD2 3.29Å; F311-F315 WeakPolarHBondContact O-CD2 3.25Å; F311-F315 PolarHBondContact O-N 3.08Å; E313-F315 PolarHBondContact O-N 2.78Å; F315-A318 PolarHBondContact O-N 3.45Å; F315-I319 WeakPolarHBondContact O-CB 3.48Å; F315-I319 VanDerWaalsContact O-CG1 3.24Å; F315-I319 WeakPolarHBondContact O-CG1 3.38Å; F315-I319 PolarHBondContact O-N 2.85Å; F315-L346 HydrophobicContact CD1-CD2 3.77Å; F315-L346 HydrophobicContact CE1-CD2 3.92Å; F315-A349 HydrophobicContact CD1-CB 3.86Å; F315-A349 HydrophobicContact CE1-CB 3.44Å; F315-A349 VanDerWaalsContact CE1-CB 3.44Å; F315-A349 HydrophobicContact CZ-CB 4.39Å; F315-V350 HydrophobicContact CB-CG2 3.61Å; F315-V350 HydrophobicContact CD1-CG2 4.32Å; F315-V350 HydrophobicContact CG-CG2 4.32Å; F315-H408 HydrophobicContact CE1-CB 4.46Å; F315-H408 HydrophobicContact CZ-CB 3.89Å; F315-Y409 HydrophobicContact CD2-CE1 4.37Å; F315-Y409 AromaticContact CE2-CD1 3.75Å; F315-Y409 HydrophobicContact CE2-CD1 3.75Å; F315-Y409 AromaticContact CE2-CE1 3.87Å; F315-Y409 HydrophobicContact CE2-CE1 3.87Å; F315-M412 HydrophobicContact CE1-CB 4.42Å; F315-M412 HydrophobicContact CE1-CG 3.52Å; F315-M412 HydrophobicContact CZ-CB 4.22Å; F315-M412 HydrophobicContact CZ-CG 3.69Å |
| 316 | C | 87.6 | Confident | 87.2 | Confident | 62 Ų | 62 | 34 Ų | 34 | 42% | 0.419 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -58.7 | -47.5 | 170.9 | -75.4 | 0 | 0 | 0 | 0 | 111.7 | L312 E313 A318 I319 D320 | L312-C316 WeakPolarHBondContact O-CB 3.48Å; L312-C316 PolarHBondContact O-N 3Å; L312-C316 PolarHBondContact O-SG 3.28Å; E313-C316 PolarHBondContact O-N 3.43Å; C316-A318 VanDerWaalsContact C-N 3.29Å; C316-A318 PolarHBondContact O-N 3.48Å; C316-I319 PolarHBondContact O-N 2.74Å; C316-I319 VanDerWaalsContact O-N 3.16Å; C316-D320 PolarHBondContact O-N 3.01Å |
| 317 | R | 85.5 | Confident | 86.9 | Confident | 116 Ų | 116 | 38 Ų | 38 | 44% | 0.438 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -57.1 | -40.7 | 175.1 | -70.9 | 170.7 | 177.5 | -139.7 | 5.7 | 112.1 | E313 M314 W321 | E313-R317 WeakPolarHBondContact O-CG 3.06Å; E313-R317 PolarHBondContact O-N 3.36Å; E313-R317 IonicContact OE1-CZ 2.65Å; E313-R317 VanDerWaalsContact OE1-CZ 3.25Å; E313-R317 IonicContact OE1-NE 3.6Å; E313-R317 PolarHBondContact OE1-NE 2.94Å; E313-R317 VanDerWaalsContact OE1-NE 3.14Å; E313-R317 IonicContact OE1-NH2 3.1Å; E313-R317 PolarHBondContact OE1-NH2 3.38Å; M314-R317 PolarHBondContact O-N 3.42Å; R317-W321 WeakPolarHBondContact O-CB 3.3Å; R317-W321 PolarHBondContact O-N 3.45Å |
| 318 | A | 90.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68 | -41.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V67 F71 M314 F315 C316 W321 V322 L346 | V67-A318 HydrophobicContact CG1-CB 3.84Å; F71-A318 HydrophobicContact CE2-CB 4.5Å; F71-A318 HydrophobicContact CZ-CB 3.81Å; M314-A318 PolarHBondContact O-N 2.92Å; F315-A318 PolarHBondContact O-N 3.45Å; C316-A318 VanDerWaalsContact C-N 3.29Å; C316-A318 PolarHBondContact O-N 3.48Å; A318-W321 WeakPolarHBondContact O-CB 3.16Å; A318-W321 PolarHBondContact O-N 3.09Å; A318-V322 WeakPolarHBondContact O-CG2 3.49Å; A318-V322 PolarHBondContact O-N 3.31Å; A318-L346 HydrophobicContact CB-CD1 4.07Å; A318-L346 HydrophobicContact CB-CD2 3.94Å |
| 319 | I | 91.4 | Very high | 85.2 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.5 | -46.3 | 176.1 | -71.2 | 164.1 | 0 | 0 | 0 | 110.5 | F315 C316 W321 V322 R323 L346 V350 | F315-I319 WeakPolarHBondContact O-CB 3.48Å; F315-I319 VanDerWaalsContact O-CG1 3.24Å; F315-I319 WeakPolarHBondContact O-CG1 3.38Å; F315-I319 PolarHBondContact O-N 2.85Å; C316-I319 PolarHBondContact O-N 2.74Å; C316-I319 VanDerWaalsContact O-N 3.16Å; I319-W321 VanDerWaalsContact C-N 3.33Å; I319-W321 PolarHBondContact O-N 3.28Å; I319-V322 PolarHBondContact O-N 3.19Å; I319-R323 HydrophobicContact CG2-CG 4.41Å; I319-R323 WeakPolarHBondContact O-CB 3.49Å; I319-R323 VanDerWaalsContact O-CG 3.31Å; I319-R323 WeakPolarHBondContact O-CG 3.49Å; I319-R323 PolarHBondContact O-N 3.26Å; I319-L346 HydrophobicContact CD1-CB 4.01Å; I319-L346 HydrophobicContact CG1-CB 3.46Å; I319-L346 VanDerWaalsContact CG1-CB 3.46Å; I319-L346 HydrophobicContact CG1-CD1 4.06Å; I319-L346 HydrophobicContact CG1-CG 4.33Å; I319-V350 HydrophobicContact CD1-CG2 4.2Å |
| 320 | D | 86.4 | Confident | 84.2 | Confident | 84 Ų | 84 | 44.1 Ų | 44.1 | 45% | 0.449 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.7 | -33 | 179.5 | -72.5 | -18.9 | 0 | 0 | 0 | 112.6 | C316 R323 S324 | C316-D320 PolarHBondContact O-N 3.01Å; D320-R323 IonicContact OD1-NH1 2.67Å; D320-S324 VanDerWaalsContact O-CB 3.27Å; D320-S324 WeakPolarHBondContact O-CB 3.34Å; D320-S324 PolarHBondContact O-N 2.72Å; D320-S324 PolarHBondContact O-OG 3.31Å |
| 321 | W | 87.7 | Confident | 82.7 | Confident | 15 Ų | 15 | 46.5 Ų | 46.5 | 6% | 0.057 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.6 | -51.7 | 167.7 | -179.5 | 91.8 | 0 | 0 | 0 | 111.3 | Y60 L64 R317 A318 I319 R323 S324 F325 L339 L416 | Y60-W321 AromaticContact CD1-NE1 3.87Å; Y60-W321 PolarHBondContact O-NE1 3.42Å; L64-W321 HydrophobicContact CB-CZ2 3.79Å; L64-W321 HydrophobicContact CD1-CD2 4.14Å; L64-W321 HydrophobicContact CD1-CE3 4.07Å; L64-W321 HydrophobicContact CD1-CH2 3.99Å; L64-W321 HydrophobicContact CD1-CZ2 4.02Å; L64-W321 HydrophobicContact CD1-CZ3 4.01Å; L64-W321 HydrophobicContact CD2-CH2 3.91Å; L64-W321 HydrophobicContact CD2-CZ2 3.86Å; L64-W321 HydrophobicContact CG-CH2 4.36Å; L64-W321 HydrophobicContact CG-CZ2 4.1Å; R317-W321 WeakPolarHBondContact O-CB 3.3Å; R317-W321 PolarHBondContact O-N 3.45Å; A318-W321 WeakPolarHBondContact O-CB 3.16Å; A318-W321 PolarHBondContact O-N 3.09Å; I319-W321 VanDerWaalsContact C-N 3.33Å; I319-W321 PolarHBondContact O-N 3.28Å; W321-R323 VanDerWaalsContact C-N 3.31Å; W321-R323 PolarHBondContact O-N 3.01Å; W321-S324 PolarHBondContact O-N 3.18Å; W321-F325 HydrophobicContact CH2-CB 4.42Å; W321-F325 AromaticContact CH2-CD1 3.73Å; W321-F325 HydrophobicContact CH2-CD1 3.73Å; W321-F325 HydrophobicContact CH2-CE1 4.19Å; W321-F325 HydrophobicContact CH2-CG 4.13Å; W321-F325 HydrophobicContact CZ2-CB 4.31Å; W321-F325 HydrophobicContact CZ2-CD1 4.09Å; W321-F325 HydrophobicContact CZ2-CD2 4.49Å; W321-F325 HydrophobicContact CZ2-CG 4.07Å; W321-F325 HydrophobicContact CZ3-CD1 4.31Å; W321-F325 VanDerWaalsContact O-CB 3.3Å; W321-F325 WeakPolarHBondContact O-CB 3.44Å; W321-F325 PolarHBondContact O-N 2.94Å; W321-L339 HydrophobicContact CZ3-CD2 4.48Å; W321-L416 HydrophobicContact CE3-CD2 4.38Å; W321-L416 HydrophobicContact CZ3-CD2 4.11Å |
| 322 | V | 88 | Confident | 81.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 179.6 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | A318 I319 R326 L339 L342 E343 L346 L416 | A318-V322 WeakPolarHBondContact O-CG2 3.49Å; A318-V322 PolarHBondContact O-N 3.31Å; I319-V322 PolarHBondContact O-N 3.19Å; V322-R326 VanDerWaalsContact O-CB 3.32Å; V322-R326 WeakPolarHBondContact O-CB 3.23Å; V322-R326 PolarHBondContact O-N 3.39Å; V322-L339 HydrophobicContact CG1-CB 4.04Å; V322-L339 HydrophobicContact CG1-CD2 4.18Å; V322-L339 VanDerWaalsContact CG1-O 3.22Å; V322-L339 WeakPolarHBondContact CG1-O 3.24Å; V322-L342 HydrophobicContact CG2-CB 4.45Å; V322-E343 HydrophobicContact CG1-CB 3.94Å; V322-L346 HydrophobicContact CG2-CD1 3.87Å; V322-L416 HydrophobicContact CG2-CD2 3.95Å |
| 323 | R | 87.1 | Confident | 80.2 | Confident | 93 Ų | 93 | 48.3 Ų | 48.3 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.6 | -50.8 | 176.7 | -73.7 | 171.3 | 174.2 | 157.1 | 5.9 | 112 | I319 D320 W321 R326 M327 E343 | I319-R323 HydrophobicContact CG2-CG 4.41Å; I319-R323 WeakPolarHBondContact O-CB 3.49Å; I319-R323 VanDerWaalsContact O-CG 3.31Å; I319-R323 WeakPolarHBondContact O-CG 3.49Å; I319-R323 PolarHBondContact O-N 3.26Å; D320-R323 IonicContact OD1-NH1 2.67Å; W321-R323 VanDerWaalsContact C-N 3.31Å; W321-R323 PolarHBondContact O-N 3.01Å; R323-R326 PolarHBondContact O-N 3.3Å; R323-M327 WeakPolarHBondContact O-CG 3.46Å; R323-M327 PolarHBondContact O-N 3.48Å; R323-E343 IonicContact CZ-OE1 2.72Å; R323-E343 VanDerWaalsContact CZ-OE1 3.28Å; R323-E343 IonicContact NE-OE1 2.85Å; R323-E343 PolarHBondContact NE-OE1 3.34Å; R323-E343 IonicContact NH2-OE1 3.31Å; R323-E343 PolarHBondContact NH2-OE1 3.34Å |
| 324 | S | 82.2 | Confident | 79.4 | Confident | 53 Ų | 53 | 50.2 Ų | 50.2 | 37% | 0.371 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | -179.8 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | Y60 D320 W321 M327 A328 | Y60-S324 PolarHBondContact OH-O 2.96Å; D320-S324 VanDerWaalsContact O-CB 3.27Å; D320-S324 WeakPolarHBondContact O-CB 3.34Å; D320-S324 PolarHBondContact O-N 2.72Å; D320-S324 PolarHBondContact O-OG 3.31Å; W321-S324 PolarHBondContact O-N 3.18Å; S324-M327 PolarHBondContact O-N 3.07Å; S324-A328 PolarHBondContact O-N 3.18Å |
| 325 | F | 82.3 | Confident | 78.7 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 4% | 0.035 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 177.8 | -170.1 | -123.8 | 0 | 0 | 0 | 111.7 | Y60 W321 M327 A328 L329 L339 F423 | Y60-F325 HydrophobicContact CD1-CB 4.09Å; Y60-F325 HydrophobicContact CD1-CD2 4.06Å; Y60-F325 AromaticContact CD2-CD2 3.83Å; Y60-F325 HydrophobicContact CD2-CD2 3.83Å; Y60-F325 HydrophobicContact CD2-CE2 4.42Å; Y60-F325 HydrophobicContact CE1-CB 4.3Å; Y60-F325 HydrophobicContact CE2-CD2 4.48Å; Y60-F325 AromaticContact CG-CD2 3.63Å; Y60-F325 HydrophobicContact CG-CD2 3.63Å; Y60-F325 HydrophobicContact CG-CE2 4.34Å; Y60-F325 HydrophobicContact CG-CG 4.49Å; W321-F325 HydrophobicContact CH2-CB 4.42Å; W321-F325 AromaticContact CH2-CD1 3.73Å; W321-F325 HydrophobicContact CH2-CD1 3.73Å; W321-F325 HydrophobicContact CH2-CE1 4.19Å; W321-F325 HydrophobicContact CH2-CG 4.13Å; W321-F325 HydrophobicContact CZ2-CB 4.31Å; W321-F325 HydrophobicContact CZ2-CD1 4.09Å; W321-F325 HydrophobicContact CZ2-CD2 4.49Å; W321-F325 HydrophobicContact CZ2-CG 4.07Å; W321-F325 HydrophobicContact CZ3-CD1 4.31Å; W321-F325 VanDerWaalsContact O-CB 3.3Å; W321-F325 WeakPolarHBondContact O-CB 3.44Å; W321-F325 PolarHBondContact O-N 2.94Å; F325-M327 VanDerWaalsContact C-N 3.32Å; F325-M327 PolarHBondContact O-N 2.92Å; F325-A328 WeakPolarHBondContact O-CB 3.3Å; F325-A328 PolarHBondContact O-N 3.5Å; F325-A328 VanDerWaalsContact O-N 3.13Å; F325-L329 HydrophobicContact CD1-CD1 4.16Å; F325-L329 HydrophobicContact CE1-CD1 3.79Å; F325-L329 HydrophobicContact CE1-CG 4.45Å; F325-L329 HydrophobicContact CE2-CD2 4.39Å; F325-L329 HydrophobicContact CE2-CG 4.47Å; F325-L329 HydrophobicContact CZ-CD1 4.05Å; F325-L329 HydrophobicContact CZ-CD2 4.32Å; F325-L329 HydrophobicContact CZ-CG 4.35Å; F325-L329 WeakPolarHBondContact O-CG 3.31Å; F325-L329 PolarHBondContact O-N 2.95Å; F325-L339 HydrophobicContact CD1-CD1 3.74Å; F325-L339 HydrophobicContact CD1-CD2 3.93Å; F325-L339 HydrophobicContact CE1-CD1 4.28Å; F325-L339 HydrophobicContact CE1-CD2 4.5Å; F325-F423 HydrophobicContact CE1-CD1 4.37Å; F325-F423 HydrophobicContact CE1-CG 4.48Å; F325-F423 HydrophobicContact CE2-CE1 4.46Å; F325-F423 AromaticContact CZ-CD1 3.84Å; F325-F423 HydrophobicContact CZ-CD1 3.84Å; F325-F423 AromaticContact CZ-CE1 3.63Å; F325-F423 HydrophobicContact CZ-CE1 3.63Å; F325-F423 HydrophobicContact CZ-CE2 4.44Å; F325-F423 HydrophobicContact CZ-CG 4.34Å; F325-F423 AromaticContact CZ-CZ 3.97Å; F325-F423 HydrophobicContact CZ-CZ 3.97Å |
| 326 | R | 80.8 | Confident | 77.7 | Confident | 38 Ų | 38 | 51 Ų | 51 | 14% | 0.143 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.9 | -41.8 | 172.4 | -178.3 | 178.2 | 62.2 | -145.7 | -11.9 | 112.3 | V322 R323 A328 L329 C336 L339 W340 E343 | V322-R326 VanDerWaalsContact O-CB 3.32Å; V322-R326 WeakPolarHBondContact O-CB 3.23Å; V322-R326 PolarHBondContact O-N 3.39Å; R323-R326 PolarHBondContact O-N 3.3Å; R326-A328 VanDerWaalsContact C-N 3.31Å; R326-L329 PolarHBondContact O-N 3.46Å; R326-C336 HydrophobicContact CG-CB 4.41Å; R326-L339 HydrophobicContact CB-CB 4.37Å; R326-L339 HydrophobicContact CB-CD1 3.98Å; R326-W340 VanDerWaalsContact NH1-CD2 3.3Å; R326-W340 VanDerWaalsContact NH1-CE2 3.29Å; R326-E343 IonicContact CZ-OE2 3.9Å; R326-E343 IonicContact NH1-OE2 3.95Å; R326-E343 PolarHBondContact NH1-OE2 3.41Å; R326-E343 IonicContact NH2-OE2 3.14Å; R326-E343 PolarHBondContact NH2-OE2 2.92Å |
| 327 | M | 78.7 | Confident | 77.3 | Confident | 120 Ų | 120 | 48.7 Ų | 48.7 | 59% | 0.591 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -65.7 | -33.5 | 176.3 | -71.8 | -61.7 | -65.8 | 0 | 0 | 112.4 | R323 S324 F325 N330 | R323-M327 WeakPolarHBondContact O-CG 3.46Å; R323-M327 PolarHBondContact O-N 3.48Å; S324-M327 PolarHBondContact O-N 3.07Å; F325-M327 VanDerWaalsContact C-N 3.32Å; F325-M327 PolarHBondContact O-N 2.92Å; M327-N330 WeakPolarHBondContact O-CB 3.33Å |
| 328 | A | 73.4 | Confident | 77.1 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 16% | 0.157 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.4 | -39.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F52 Y60 S324 F325 R326 N330 | F52-A328 HydrophobicContact CE1-CB 4Å; F52-A328 WeakPolarHBondContact CE1-O 3.48Å; F52-A328 HydrophobicContact CZ-CB 4Å; Y60-A328 HydrophobicContact CE2-CB 3.72Å; S324-A328 PolarHBondContact O-N 3.18Å; F325-A328 WeakPolarHBondContact O-CB 3.3Å; F325-A328 PolarHBondContact O-N 3.5Å; F325-A328 VanDerWaalsContact O-N 3.13Å; R326-A328 VanDerWaalsContact C-N 3.31Å; A328-N330 PolarHBondContact O-N 2.93Å |
| 329 | L | 70.4 | Confident | 76.9 | Confident | 18 Ų | 18 | 44.7 Ų | 44.7 | 9% | 0.094 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 19.2 | 179.5 | -63.5 | -176.2 | 0 | 0 | 0 | 115.1 | F325 R326 G331 C332 L339 F423 | F325-L329 HydrophobicContact CD1-CD1 4.16Å; F325-L329 HydrophobicContact CE1-CD1 3.79Å; F325-L329 HydrophobicContact CE1-CG 4.45Å; F325-L329 HydrophobicContact CE2-CD2 4.39Å; F325-L329 HydrophobicContact CE2-CG 4.47Å; F325-L329 HydrophobicContact CZ-CD1 4.05Å; F325-L329 HydrophobicContact CZ-CD2 4.32Å; F325-L329 HydrophobicContact CZ-CG 4.35Å; F325-L329 WeakPolarHBondContact O-CG 3.31Å; F325-L329 PolarHBondContact O-N 2.95Å; R326-L329 PolarHBondContact O-N 3.46Å; L329-G331 PolarHBondContact O-N 3.38Å; L329-C332 PolarHBondContact O-N 3.41Å; L329-L339 HydrophobicContact CD1-CD1 3.81Å; L329-F423 HydrophobicContact CD1-CD2 4.11Å; L329-F423 HydrophobicContact CD1-CE2 3.67Å; L329-F423 HydrophobicContact CD1-CZ 4.27Å; L329-F423 HydrophobicContact CD2-CE2 3.59Å; L329-F423 HydrophobicContact CD2-CZ 3.53Å; L329-F423 HydrophobicContact CG-CE2 4.3Å |
| 330 | N | 63.3 | Low | 76.7 | Confident | 131 Ų | 131 | 48.7 Ų | 48.7 | 70% | 0.701 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | 107.8 | -168.9 | -149.7 | -7.1 | 0 | 0 | 0 | 112.8 | M327 A328 | M327-N330 WeakPolarHBondContact O-CB 3.33Å; A328-N330 PolarHBondContact O-N 2.93Å |
| 331 | G | 55.4 | Low | 76.8 | Confident | 73 Ų | 73 | 46.9 Ų | 46.9 | 75% | 0.753 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.7 | -11.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116 | L329 A333 | L329-G331 PolarHBondContact O-N 3.38Å; G331-A333 PolarHBondContact O-N 3.48Å |
| 332 | C | 63.9 | Low | 76.9 | Confident | 24 Ų | 24 | 46.3 Ų | 46.3 | 16% | 0.162 | 27% | 0.266 | C | S | . | . | trans | -93.3 | 78.3 | 179.6 | -147.5 | 0 | 0 | 0 | 0 | 113.3 | L329 K334 Y335 C336 | L329-C332 PolarHBondContact O-N 3.41Å; C332-K334 PolarHBondContact O-N 2.83Å; C332-Y335 HydrophobicContact CB-CD2 3.97Å; C332-Y335 PolarHBondContact O-N 2.98Å; C332-Y335 WeakPolarHBondContact SG-CD2 3.25Å; C332-Y335 WeakPolarHBondContact SG-CE2 3.36Å; C332-C336 PolarHBondContact O-N 2.88Å; C332-C336 VanDerWaalsContact O-N 3.15Å; C332-C336 PolarHBondContact O-SG 3.47Å; C332-C336 VanDerWaalsContact O-SG 3.38Å | ||
| 333 | A | 63.9 | Low | 77.1 | Confident | 63 Ų | 63 | 47 Ų | 47 | 52% | 0.521 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -50.7 | -35.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | G331 A337 | G331-A333 PolarHBondContact O-N 3.48Å; A333-A337 PolarHBondContact O-N 2.72Å |
| 334 | K | 70 | Confident | 77.5 | Confident | 122 Ų | 122 | 50.3 Ų | 50.3 | 53% | 0.53 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.9 | -53.2 | 179.8 | -172.8 | -174.3 | 174.4 | -168.9 | 0 | 112 | C332 A337 A338 E426 | C332-K334 PolarHBondContact O-N 2.83Å; K334-A337 PolarHBondContact O-N 3.22Å; K334-A338 PolarHBondContact O-N 2.82Å; K334-E426 WeakPolarHBondContact CE-OE2 3.13Å; K334-E426 IonicContact NZ-OE1 2.91Å; K334-E426 PolarHBondContact NZ-OE1 2.8Å; K334-E426 IonicContact NZ-OE2 2.75Å; K334-E426 PolarHBondContact NZ-OE2 2.99Å |
| 335 | Y | 70.3 | Confident | 78 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 9% | 0.09 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.6 | -30.6 | -179.3 | -51.1 | -61.1 | 0 | 0 | 0 | 112.3 | C332 A337 A338 L339 F423 E426 N427 | C332-Y335 HydrophobicContact CB-CD2 3.97Å; C332-Y335 PolarHBondContact O-N 2.98Å; C332-Y335 WeakPolarHBondContact SG-CD2 3.25Å; C332-Y335 WeakPolarHBondContact SG-CE2 3.36Å; Y335-A337 PolarHBondContact O-N 3.47Å; Y335-A338 PolarHBondContact O-N 3.47Å; Y335-L339 WeakPolarHBondContact O-CB 3.49Å; Y335-L339 WeakPolarHBondContact O-CG 3.27Å; Y335-L339 PolarHBondContact O-N 3.48Å; Y335-F423 HydrophobicContact CD1-CB 4.36Å; Y335-F423 AromaticContact CD1-CD2 3.81Å; Y335-F423 HydrophobicContact CD1-CD2 3.81Å; Y335-F423 AromaticContact CD2-CD2 3.59Å; Y335-F423 HydrophobicContact CD2-CD2 3.59Å; Y335-F423 AromaticContact CD2-CE2 3.74Å; Y335-F423 HydrophobicContact CD2-CE2 3.74Å; Y335-F423 HydrophobicContact CE1-CB 4.43Å; Y335-F423 HydrophobicContact CE1-CD2 4.01Å; Y335-F423 AromaticContact CE2-CD2 3.79Å; Y335-F423 HydrophobicContact CE2-CD2 3.79Å; Y335-F423 AromaticContact CE2-CE2 3.93Å; Y335-F423 HydrophobicContact CE2-CE2 3.93Å; Y335-F423 AromaticContact CG-CD2 3.61Å; Y335-F423 HydrophobicContact CG-CD2 3.61Å; Y335-F423 HydrophobicContact CG-CE2 4.19Å; Y335-E426 HydrophobicContact CE1-CB 4.42Å; Y335-E426 VanDerWaalsContact CE1-OE2 3.28Å; Y335-E426 WeakPolarHBondContact CE1-OE2 3.49Å; Y335-E426 WeakPolarHBondContact OH-CB 3.1Å; Y335-E426 PolarHBondContact OH-OE2 2.92Å; Y335-N427 VanDerWaalsContact CE2-ND2 3.33Å; Y335-N427 WeakPolarHBondContact CE2-ND2 3.27Å; Y335-N427 VanDerWaalsContact CZ-ND2 3.33Å; Y335-N427 PolarHBondContact OH-ND2 2.82Å; Y335-N427 VanDerWaalsContact OH-ND2 3.11Å |
| 336 | C | 73.4 | Confident | 78.6 | Confident | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.027 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.8 | -37.2 | 173.1 | -67.5 | 0 | 0 | 0 | 0 | 112 | C21 R326 C332 W340 | C21-C336 HydrophobicContact CB-CB 4.41Å; C21-C336 WeakPolarHBondContact SG-CB 3.2Å; R326-C336 HydrophobicContact CG-CB 4.41Å; C332-C336 PolarHBondContact O-N 2.88Å; C332-C336 VanDerWaalsContact O-N 3.15Å; C332-C336 PolarHBondContact O-SG 3.47Å; C332-C336 VanDerWaalsContact O-SG 3.38Å; C336-W340 WeakPolarHBondContact O-CB 3.43Å; C336-W340 VanDerWaalsContact O-CD1 3.23Å; C336-W340 PolarHBondContact O-N 3.32Å |
| 337 | A | 78.7 | Confident | 79.3 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L13 A333 K334 Y335 W340 A341 | L13-A337 HydrophobicContact CD2-CB 4.23Å; A333-A337 PolarHBondContact O-N 2.72Å; K334-A337 PolarHBondContact O-N 3.22Å; Y335-A337 PolarHBondContact O-N 3.47Å; A337-W340 WeakPolarHBondContact O-CB 3.44Å; A337-W340 PolarHBondContact O-N 3.43Å; A337-A341 PolarHBondContact O-N 3.05Å |
| 338 | A | 81.9 | Confident | 80 | Confident | 21 Ų | 21 | 51 Ų | 51 | 17% | 0.174 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K334 Y335 W340 A341 L342 E419 | K334-A338 PolarHBondContact O-N 2.82Å; Y335-A338 PolarHBondContact O-N 3.47Å; A338-W340 VanDerWaalsContact C-N 3.33Å; A338-W340 PolarHBondContact O-N 3.42Å; A338-A341 WeakPolarHBondContact O-CB 3.33Å; A338-A341 PolarHBondContact O-N 3.23Å; A338-A341 VanDerWaalsContact O-N 3.1Å; A338-L342 PolarHBondContact O-N 2.99Å; A338-E419 WeakPolarHBondContact CB-OE2 3.31Å |
| 339 | L | 85.5 | Confident | 81 | Confident | 11 Ų | 11 | 50.2 Ų | 50.2 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.3 | -35.2 | 175.3 | -67.9 | 171.5 | 0 | 0 | 0 | 112.3 | W321 V322 F325 R326 L329 Y335 L342 E343 | W321-L339 HydrophobicContact CZ3-CD2 4.48Å; V322-L339 HydrophobicContact CG1-CB 4.04Å; V322-L339 HydrophobicContact CG1-CD2 4.18Å; V322-L339 VanDerWaalsContact CG1-O 3.22Å; V322-L339 WeakPolarHBondContact CG1-O 3.24Å; F325-L339 HydrophobicContact CD1-CD1 3.74Å; F325-L339 HydrophobicContact CD1-CD2 3.93Å; F325-L339 HydrophobicContact CE1-CD1 4.28Å; F325-L339 HydrophobicContact CE1-CD2 4.5Å; R326-L339 HydrophobicContact CB-CB 4.37Å; R326-L339 HydrophobicContact CB-CD1 3.98Å; L329-L339 HydrophobicContact CD1-CD1 3.81Å; Y335-L339 WeakPolarHBondContact O-CB 3.49Å; Y335-L339 WeakPolarHBondContact O-CG 3.27Å; Y335-L339 PolarHBondContact O-N 3.48Å; L339-L342 HydrophobicContact CD2-CD1 4.09Å; L339-L342 PolarHBondContact O-N 2.95Å; L339-E343 WeakPolarHBondContact O-CB 3.15Å; L339-E343 PolarHBondContact O-N 3.42Å |
| 340 | W | 86.9 | Confident | 82.1 | Confident | 90 Ų | 90 | 50.5 Ų | 50.5 | 34% | 0.341 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 170 | -99.9 | 104.1 | 0 | 0 | 0 | 112.6 | R326 C336 A337 A338 K344 | R326-W340 VanDerWaalsContact NH1-CD2 3.3Å; R326-W340 VanDerWaalsContact NH1-CE2 3.29Å; C336-W340 WeakPolarHBondContact O-CB 3.43Å; C336-W340 VanDerWaalsContact O-CD1 3.23Å; C336-W340 PolarHBondContact O-N 3.32Å; A337-W340 WeakPolarHBondContact O-CB 3.44Å; A337-W340 PolarHBondContact O-N 3.43Å; A338-W340 VanDerWaalsContact C-N 3.33Å; A338-W340 PolarHBondContact O-N 3.42Å; W340-K344 WeakPolarHBondContact O-CB 3.35Å; W340-K344 PolarHBondContact O-N 3.47Å |
| 341 | A | 88 | Confident | 83.5 | Confident | 46 Ų | 46 | 50.1 Ų | 50.1 | 38% | 0.38 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | A337 A338 K344 R345 | A337-A341 PolarHBondContact O-N 3.05Å; A338-A341 WeakPolarHBondContact O-CB 3.33Å; A338-A341 PolarHBondContact O-N 3.23Å; A338-A341 VanDerWaalsContact O-N 3.1Å; A341-K344 PolarHBondContact O-N 2.8Å; A341-R345 WeakPolarHBondContact O-CG 3.45Å; A341-R345 PolarHBondContact O-N 3.39Å; A341-R345 VanDerWaalsContact O-N 3.07Å |
| 342 | L | 90.9 | Very high | 85.2 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63 | -49.9 | 172.2 | -76.7 | 170.1 | 0 | 0 | 0 | 112.3 | V322 A338 L339 K344 R345 L346 L416 E419 | V322-L342 HydrophobicContact CG2-CB 4.45Å; A338-L342 PolarHBondContact O-N 2.99Å; L339-L342 HydrophobicContact CD2-CD1 4.09Å; L339-L342 PolarHBondContact O-N 2.95Å; L342-K344 PolarHBondContact O-N 2.93Å; L342-R345 PolarHBondContact O-N 2.96Å; L342-R345 VanDerWaalsContact O-N 3.09Å; L342-L346 PolarHBondContact O-N 3.42Å; L342-L416 HydrophobicContact CD1-CD2 4.13Å; L342-L416 HydrophobicContact CD2-CD2 4.32Å; L342-E419 HydrophobicContact CD1-CB 3.72Å; L342-E419 HydrophobicContact CD1-CG 3.78Å; L342-E419 HydrophobicContact CD2-CG 4.16Å; L342-E419 HydrophobicContact CG-CG 4.08Å |
| 343 | E | 93.2 | Very high | 86.5 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.1 | -45.2 | 175.1 | 177.5 | 174.4 | -169.3 | 0 | 0 | 110.2 | V322 R323 R326 L339 R345 L346 N347 | V322-E343 HydrophobicContact CG1-CB 3.94Å; R323-E343 IonicContact CZ-OE1 2.72Å; R323-E343 VanDerWaalsContact CZ-OE1 3.28Å; R323-E343 IonicContact NE-OE1 2.85Å; R323-E343 PolarHBondContact NE-OE1 3.34Å; R323-E343 IonicContact NH2-OE1 3.31Å; R323-E343 PolarHBondContact NH2-OE1 3.34Å; R326-E343 IonicContact CZ-OE2 3.9Å; R326-E343 IonicContact NH1-OE2 3.95Å; R326-E343 PolarHBondContact NH1-OE2 3.41Å; R326-E343 IonicContact NH2-OE2 3.14Å; R326-E343 PolarHBondContact NH2-OE2 2.92Å; L339-E343 WeakPolarHBondContact O-CB 3.15Å; L339-E343 PolarHBondContact O-N 3.42Å; E343-R345 PolarHBondContact O-N 3.43Å; E343-L346 PolarHBondContact O-N 3.01Å; E343-N347 VanDerWaalsContact CG-ND2 3.27Å; E343-N347 WeakPolarHBondContact CG-ND2 3.27Å; E343-N347 PolarHBondContact O-N 3.28Å; E343-N347 PolarHBondContact O-ND2 3.13Å |
| 344 | K | 93.8 | Very high | 87.4 | Confident | 161 Ų | 161 | 52.4 Ų | 52.4 | 70% | 0.7 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.8 | -39.6 | 178.5 | -171.3 | -179.7 | 178.4 | -174.3 | 0 | 112.9 | W340 A341 L342 S348 | W340-K344 WeakPolarHBondContact O-CB 3.35Å; W340-K344 PolarHBondContact O-N 3.47Å; A341-K344 PolarHBondContact O-N 2.8Å; L342-K344 PolarHBondContact O-N 2.93Å; K344-S348 WeakPolarHBondContact O-CB 3.46Å; K344-S348 PolarHBondContact O-N 3.31Å |
| 345 | R | 93.6 | Very high | 88.2 | Confident | 117 Ų | 117 | 48 Ų | 48 | 44% | 0.442 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66 | -44.8 | 175.8 | -70.8 | -178 | -167.5 | 165.4 | 9.6 | 111.8 | A341 L342 E343 S348 A349 M412 S415 | A341-R345 WeakPolarHBondContact O-CG 3.45Å; A341-R345 PolarHBondContact O-N 3.39Å; A341-R345 VanDerWaalsContact O-N 3.07Å; L342-R345 PolarHBondContact O-N 2.96Å; L342-R345 VanDerWaalsContact O-N 3.09Å; E343-R345 PolarHBondContact O-N 3.43Å; R345-S348 PolarHBondContact O-N 2.97Å; R345-A349 PolarHBondContact O-N 2.88Å; R345-M412 HydrophobicContact CB-CE 3.9Å; R345-M412 HydrophobicContact CB-SD 3.94Å; R345-S415 PolarHBondContact NH1-OG 3.38Å |
| 346 | L | 94.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 178.4 | -71.3 | 164 | 0 | 0 | 0 | 111.9 | F71 F315 A318 I319 V322 L342 E343 S348 A349 V350 M412 | F71-L346 HydrophobicContact CZ-CD2 4.48Å; F315-L346 HydrophobicContact CD1-CD2 3.77Å; F315-L346 HydrophobicContact CE1-CD2 3.92Å; A318-L346 HydrophobicContact CB-CD1 4.07Å; A318-L346 HydrophobicContact CB-CD2 3.94Å; I319-L346 HydrophobicContact CD1-CB 4.01Å; I319-L346 HydrophobicContact CG1-CB 3.46Å; I319-L346 VanDerWaalsContact CG1-CB 3.46Å; I319-L346 HydrophobicContact CG1-CD1 4.06Å; I319-L346 HydrophobicContact CG1-CG 4.33Å; V322-L346 HydrophobicContact CG2-CD1 3.87Å; L342-L346 PolarHBondContact O-N 3.42Å; E343-L346 PolarHBondContact O-N 3.01Å; L346-S348 VanDerWaalsContact C-N 3.35Å; L346-S348 PolarHBondContact O-N 3.22Å; L346-A349 PolarHBondContact O-N 3.05Å; L346-V350 PolarHBondContact O-N 3.49Å; L346-V350 VanDerWaalsContact O-N 3.13Å; L346-M412 HydrophobicContact CD2-CB 4.15Å; L346-M412 HydrophobicContact CD2-CG 3.73Å; L346-M412 HydrophobicContact CD2-SD 3.74Å; L346-M412 HydrophobicContact CG-SD 3.99Å |
| 347 | N | 94.4 | Very high | 89.7 | Confident | 49 Ų | 49 | 51.7 Ų | 51.7 | 26% | 0.262 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 175.1 | -72.9 | -95.6 | 0 | 0 | 0 | 111.1 | E343 A349 V350 D351 | E343-N347 VanDerWaalsContact CG-ND2 3.27Å; E343-N347 WeakPolarHBondContact CG-ND2 3.27Å; E343-N347 PolarHBondContact O-N 3.28Å; E343-N347 PolarHBondContact O-ND2 3.13Å; N347-A349 VanDerWaalsContact C-N 3.26Å; N347-A349 PolarHBondContact O-N 3.14Å; N347-V350 WeakPolarHBondContact O-CB 3.35Å; N347-V350 PolarHBondContact O-N 3Å; N347-V350 VanDerWaalsContact O-N 3.14Å; N347-D351 VanDerWaalsContact O-CG 3.28Å; N347-D351 PolarHBondContact O-N 3.42Å |
| 348 | S | 94.7 | Very high | 90.1 | Very high | 68 Ų | 68 | 54.8 Ų | 54.8 | 48% | 0.476 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.5 | -30.8 | 177.1 | -171 | 0 | 0 | 0 | 0 | 113.5 | K344 R345 L346 E352 | K344-S348 WeakPolarHBondContact O-CB 3.46Å; K344-S348 PolarHBondContact O-N 3.31Å; R345-S348 PolarHBondContact O-N 2.97Å; L346-S348 VanDerWaalsContact C-N 3.35Å; L346-S348 PolarHBondContact O-N 3.22Å; S348-E352 WeakPolarHBondContact O-CB 3.31Å; S348-E352 PolarHBondContact O-N 3.07Å |
| 349 | A | 95 | Very high | 90.5 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -74.9 | -36.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F311 F315 R345 L346 N347 E352 V353 | F311-A349 HydrophobicContact CZ-CB 4.25Å; F315-A349 HydrophobicContact CD1-CB 3.86Å; F315-A349 HydrophobicContact CE1-CB 3.44Å; F315-A349 VanDerWaalsContact CE1-CB 3.44Å; F315-A349 HydrophobicContact CZ-CB 4.39Å; R345-A349 PolarHBondContact O-N 2.88Å; L346-A349 PolarHBondContact O-N 3.05Å; N347-A349 VanDerWaalsContact C-N 3.26Å; N347-A349 PolarHBondContact O-N 3.14Å; A349-E352 PolarHBondContact O-N 3.24Å; A349-V353 PolarHBondContact O-N 3.25Å |
| 350 | V | 93.3 | Very high | 90.7 | Very high | 25 Ų | 25 | 57.4 Ų | 57.4 | 15% | 0.152 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -49.5 | 170.2 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | L312 F315 I319 L346 N347 E352 V353 D354 | L312-V350 HydrophobicContact CD2-CG1 3.84Å; F315-V350 HydrophobicContact CB-CG2 3.61Å; F315-V350 HydrophobicContact CD1-CG2 4.32Å; F315-V350 HydrophobicContact CG-CG2 4.32Å; I319-V350 HydrophobicContact CD1-CG2 4.2Å; L346-V350 PolarHBondContact O-N 3.49Å; L346-V350 VanDerWaalsContact O-N 3.13Å; N347-V350 WeakPolarHBondContact O-CB 3.35Å; N347-V350 PolarHBondContact O-N 3Å; N347-V350 VanDerWaalsContact O-N 3.14Å; V350-E352 PolarHBondContact O-N 3.02Å; V350-V353 WeakPolarHBondContact O-CG2 3.38Å; V350-V353 PolarHBondContact O-N 2.84Å; V350-D354 WeakPolarHBondContact O-CB 3.43Å; V350-D354 PolarHBondContact O-N 3Å |
| 351 | D | 90.9 | Very high | 90.7 | Very high | 122 Ų | 122 | 55.8 Ų | 55.8 | 65% | 0.652 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.2 | -33 | 178.1 | -69 | -28.4 | 0 | 0 | 0 | 112.6 | N347 | N347-D351 VanDerWaalsContact O-CG 3.28Å; N347-D351 PolarHBondContact O-N 3.42Å |
| 352 | E | 92 | Very high | 90.9 | Very high | 101 Ų | 101 | 58.4 Ų | 58.4 | 47% | 0.472 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -72.8 | -39.1 | 178.4 | -173.2 | 177.9 | 173.2 | 0 | 0 | 112.5 | S348 A349 V350 H408 | S348-E352 WeakPolarHBondContact O-CB 3.31Å; S348-E352 PolarHBondContact O-N 3.07Å; A349-E352 PolarHBondContact O-N 3.24Å; V350-E352 PolarHBondContact O-N 3.02Å; E352-H408 IonicContact OE2-CD2 3.69Å; E352-H408 IonicContact OE2-CE1 2.75Å; E352-H408 PolarHBondContact OE2-CE1 3.45Å; E352-H408 VanDerWaalsContact OE2-CE1 3.31Å; E352-H408 IonicContact OE2-NE2 3.24Å; E352-H408 PolarHBondContact OE2-NE2 2.77Å |
| 353 | V | 90.6 | Very high | 91 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -85.5 | -23.5 | -177.9 | -58.2 | 0 | 0 | 0 | 0 | 113.7 | L308 F311 L312 A349 V350 G355 I356 M405 | L308-V353 HydrophobicContact CD1-CB 3.74Å; L308-V353 HydrophobicContact CD1-CG2 3.81Å; F311-V353 HydrophobicContact CD1-CB 4.37Å; F311-V353 HydrophobicContact CD1-CG1 4.12Å; F311-V353 HydrophobicContact CD1-CG2 3.55Å; F311-V353 HydrophobicContact CE1-CB 4.28Å; F311-V353 HydrophobicContact CE1-CG1 3.73Å; F311-V353 HydrophobicContact CE1-CG2 3.56Å; F311-V353 HydrophobicContact CZ-CG1 3.97Å; L312-V353 HydrophobicContact CD2-CG2 3.88Å; L312-V353 HydrophobicContact CG-CG2 4.48Å; A349-V353 PolarHBondContact O-N 3.25Å; V350-V353 WeakPolarHBondContact O-CG2 3.38Å; V350-V353 PolarHBondContact O-N 2.84Å; V353-G355 PolarHBondContact O-N 3.29Å; V353-I356 HydrophobicContact CB-CD1 3.86Å; V353-I356 HydrophobicContact CG1-CD1 4.09Å; V353-I356 WeakPolarHBondContact O-CB 3.27Å; V353-I356 VanDerWaalsContact O-CG1 3.29Å; V353-I356 WeakPolarHBondContact O-CG1 3.43Å; V353-I356 PolarHBondContact O-N 2.79Å; V353-M405 HydrophobicContact CG1-CG 3.97Å |
| 354 | D | 84.4 | Confident | 90.9 | Very high | 108 Ų | 108 | 58.8 Ų | 58.8 | 58% | 0.578 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -54.8 | -37.7 | -177.6 | -170.9 | 56.3 | 0 | 0 | 0 | 112.5 | V350 I356 | V350-D354 WeakPolarHBondContact O-CB 3.43Å; V350-D354 PolarHBondContact O-N 3Å; D354-I356 VanDerWaalsContact C-N 3.26Å; D354-I356 PolarHBondContact O-N 2.91Å |
| 355 | G | 85.7 | Confident | 90.7 | Very high | 30 Ų | 30 | 58.2 Ų | 58.2 | 31% | 0.309 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -12.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | V353 R357 C358 Q359 | V353-G355 PolarHBondContact O-N 3.29Å; G355-R357 PolarHBondContact O-N 2.83Å; G355-C358 PolarHBondContact O-N 3.48Å; G355-Q359 WeakPolarHBondContact O-CG 3.33Å; G355-Q359 PolarHBondContact O-N 3.47Å |
| 356 | I | 90.5 | Very high | 90.7 | Very high | 7 Ų | 7 | 55.7 Ų | 55.7 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -42.8 | -174 | -72.1 | 173.3 | 0 | 0 | 0 | 111.7 | V304 L308 V353 D354 C358 Q359 M360 R401 | V304-I356 HydrophobicContact CG1-CG2 3.68Å; L308-I356 HydrophobicContact CD2-CB 4.26Å; L308-I356 HydrophobicContact CD2-CG2 4.26Å; V353-I356 HydrophobicContact CB-CD1 3.86Å; V353-I356 HydrophobicContact CG1-CD1 4.09Å; V353-I356 WeakPolarHBondContact O-CB 3.27Å; V353-I356 VanDerWaalsContact O-CG1 3.29Å; V353-I356 WeakPolarHBondContact O-CG1 3.43Å; V353-I356 PolarHBondContact O-N 2.79Å; D354-I356 VanDerWaalsContact C-N 3.26Å; D354-I356 PolarHBondContact O-N 2.91Å; I356-C358 PolarHBondContact O-N 3.16Å; I356-Q359 WeakPolarHBondContact O-CB 3.36Å; I356-Q359 PolarHBondContact O-N 3.23Å; I356-M360 HydrophobicContact CG2-CG 4.42Å; I356-M360 HydrophobicContact CG2-SD 3.71Å; I356-M360 WeakPolarHBondContact O-CG 3.35Å; I356-M360 PolarHBondContact O-N 3.07Å; I356-R401 HydrophobicContact CD1-CB 4.09Å; I356-R401 HydrophobicContact CD1-CG 4.05Å; I356-R401 HydrophobicContact CG1-CG 4.08Å; I356-R401 HydrophobicContact CG2-CG 4.35Å |
| 357 | R | 84.2 | Confident | 90.5 | Very high | 97 Ų | 97 | 55.7 Ų | 55.7 | 37% | 0.366 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | -179.5 | 179.4 | 176 | 171.6 | 151.8 | 2.4 | 111.6 | N276 L308 G355 Q359 M360 E361 | N276-R357 PolarHBondContact O-NH1 3.16Å; L308-R357 HydrophobicContact CD2-CB 4.23Å; G355-R357 PolarHBondContact O-N 2.83Å; R357-Q359 VanDerWaalsContact C-N 3.29Å; R357-Q359 PolarHBondContact O-N 3.48Å; R357-M360 WeakPolarHBondContact O-CB 3.17Å; R357-M360 PolarHBondContact O-N 2.78Å; R357-M360 VanDerWaalsContact O-N 3.11Å; R357-E361 WeakPolarHBondContact CG-OE1 3.36Å; R357-E361 IonicContact CZ-OE1 3.52Å; R357-E361 IonicContact NE-OE1 3.83Å; R357-E361 PolarHBondContact NE-OE1 3.43Å; R357-E361 IonicContact NH2-OE1 3.47Å; R357-E361 WeakPolarHBondContact O-CG 3.29Å; R357-E361 PolarHBondContact O-N 3.38Å |
| 358 | C | 87.1 | Confident | 90.3 | Very high | 76 Ų | 76 | 54.8 Ų | 54.8 | 51% | 0.514 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.5 | -38.2 | 177.6 | -65.7 | 0 | 0 | 0 | 0 | 112.5 | G355 I356 E361 E362 | G355-C358 PolarHBondContact O-N 3.48Å; I356-C358 PolarHBondContact O-N 3.16Å; C358-E361 PolarHBondContact O-N 3.05Å; C358-E362 WeakPolarHBondContact O-CB 3.27Å; C358-E362 PolarHBondContact O-N 3.32Å |
| 359 | Q | 91 | Very high | 90.2 | Very high | 86 Ų | 86 | 57.1 Ų | 57.1 | 40% | 0.402 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.9 | -37.3 | 175.4 | -61.9 | 169 | 7.7 | 0 | 0 | 112.2 | G355 I356 R357 E362 Y363 R401 | G355-Q359 WeakPolarHBondContact O-CG 3.33Å; G355-Q359 PolarHBondContact O-N 3.47Å; I356-Q359 WeakPolarHBondContact O-CB 3.36Å; I356-Q359 PolarHBondContact O-N 3.23Å; R357-Q359 VanDerWaalsContact C-N 3.29Å; R357-Q359 PolarHBondContact O-N 3.48Å; Q359-E362 WeakPolarHBondContact O-CB 3.19Å; Q359-E362 PolarHBondContact O-N 3.48Å; Q359-Y363 PolarHBondContact O-N 3.43Å; Q359-Y363 VanDerWaalsContact O-N 3.16Å; Q359-R401 VanDerWaalsContact OE1-NE 3.11Å |
| 360 | M | 89.7 | Confident | 90 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 174.1 | -70.3 | 167 | 60.8 | 0 | 0 | 111.6 | H301 V304 N305 I356 R357 E362 Y363 Y364 | H301-M360 HydrophobicContact CB-CE 3.77Å; H301-M360 VanDerWaalsContact O-CE 3.32Å; H301-M360 WeakPolarHBondContact O-CE 3.27Å; V304-M360 HydrophobicContact CB-CE 4.38Å; V304-M360 HydrophobicContact CB-SD 4.19Å; V304-M360 HydrophobicContact CG1-CE 4.33Å; V304-M360 HydrophobicContact CG1-SD 3.54Å; V304-M360 VanDerWaalsContact CG1-SD 3.54Å; N305-M360 HydrophobicContact CB-CE 4.2Å; I356-M360 HydrophobicContact CG2-CG 4.42Å; I356-M360 HydrophobicContact CG2-SD 3.71Å; I356-M360 WeakPolarHBondContact O-CG 3.35Å; I356-M360 PolarHBondContact O-N 3.07Å; R357-M360 WeakPolarHBondContact O-CB 3.17Å; R357-M360 PolarHBondContact O-N 2.78Å; R357-M360 VanDerWaalsContact O-N 3.11Å; M360-E362 VanDerWaalsContact C-N 3.34Å; M360-Y363 PolarHBondContact O-N 2.64Å; M360-Y364 WeakPolarHBondContact O-CD2 3.34Å; M360-Y364 WeakPolarHBondContact O-CE2 3.46Å |
| 361 | E | 86.9 | Confident | 89.8 | Confident | 56 Ų | 56 | 57.4 Ų | 57.4 | 26% | 0.262 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.8 | -28 | 173.8 | -70.8 | 172.5 | -173.2 | 0 | 0 | 112.8 | F278 R357 C358 R365 | F278-E361 HydrophobicContact CD2-CG 3.73Å; F278-E361 HydrophobicContact CE2-CG 3.6Å; F278-E361 HydrophobicContact CZ-CG 4.4Å; R357-E361 WeakPolarHBondContact CG-OE1 3.36Å; R357-E361 IonicContact CZ-OE1 3.52Å; R357-E361 IonicContact NE-OE1 3.83Å; R357-E361 PolarHBondContact NE-OE1 3.43Å; R357-E361 IonicContact NH2-OE1 3.47Å; R357-E361 WeakPolarHBondContact O-CG 3.29Å; R357-E361 PolarHBondContact O-N 3.38Å; C358-E361 PolarHBondContact O-N 3.05Å; E361-R365 PolarHBondContact O-N 2.96Å; E361-R365 PolarHBondContact O-NE 3.17Å |
| 362 | E | 91.6 | Very high | 89.8 | Confident | 101 Ų | 101 | 56.6 Ų | 56.6 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.8 | -42 | 172.4 | -173.2 | 170.6 | -174 | 0 | 0 | 112.3 | C358 Q359 M360 Y364 R365 N366 | C358-E362 WeakPolarHBondContact O-CB 3.27Å; C358-E362 PolarHBondContact O-N 3.32Å; Q359-E362 WeakPolarHBondContact O-CB 3.19Å; Q359-E362 PolarHBondContact O-N 3.48Å; M360-E362 VanDerWaalsContact C-N 3.34Å; E362-Y364 PolarHBondContact O-N 2.89Å; E362-R365 PolarHBondContact O-N 3.35Å; E362-R365 VanDerWaalsContact O-N 3.16Å; E362-N366 VanDerWaalsContact O-CG 3.31Å; E362-N366 PolarHBondContact O-N 3.19Å |
| 363 | Y | 93.6 | Very high | 89.7 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -52.8 | -49.6 | 173.7 | 157.3 | -96.5 | 0 | 0 | 0 | 112.4 | V297 H301 Q359 M360 R365 N366 R367 L390 D391 Q394 | V297-Y363 HydrophobicContact CG1-CE1 3.85Å; V297-Y363 HydrophobicContact CG1-CE2 4.09Å; H301-Y363 AromaticContact CE1-CD1 3.56Å; H301-Y363 AromaticContact NE2-CD1 3.86Å; Q359-Y363 PolarHBondContact O-N 3.43Å; Q359-Y363 VanDerWaalsContact O-N 3.16Å; M360-Y363 PolarHBondContact O-N 2.64Å; Y363-R365 VanDerWaalsContact C-N 3.32Å; Y363-R365 PolarHBondContact O-N 3.48Å; Y363-N366 PolarHBondContact O-N 3.01Å; Y363-R367 WeakPolarHBondContact O-CB 3.48Å; Y363-R367 PolarHBondContact O-N 3.27Å; Y363-R367 WeakPolarHBondContact OH-CD 3.33Å; Y363-R367 PolarHBondContact OH-NE 2.93Å; Y363-L390 HydrophobicContact CD2-CD1 4.15Å; Y363-L390 HydrophobicContact CD2-CD2 4.31Å; Y363-L390 HydrophobicContact CD2-CG 3.87Å; Y363-L390 HydrophobicContact CE2-CG 4.1Å; Y363-D391 WeakPolarHBondContact CE2-OD1 3.48Å; Y363-D391 PolarHBondContact OH-OD1 3.2Å; Y363-D391 VanDerWaalsContact OH-OD1 3.13Å; Y363-Q394 HydrophobicContact CD1-CG 4.22Å; Y363-Q394 HydrophobicContact CD2-CB 3.55Å; Y363-Q394 HydrophobicContact CD2-CG 3.58Å; Y363-Q394 HydrophobicContact CE2-CB 3.87Å; Y363-Q394 HydrophobicContact CE2-CG 4.05Å; Y363-Q394 HydrophobicContact CG-CB 4.17Å; Y363-Q394 HydrophobicContact CG-CG 3.67Å |
| 364 | Y | 90.2 | Very high | 89.5 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 9% | 0.09 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65 | -35 | -180 | -67.7 | -77.3 | 0 | 0 | 0 | 112.9 | F278 A280 Q293 H301 M360 E362 T368 | F278-Y364 AromaticContact CE1-CD2 3.87Å; F278-Y364 HydrophobicContact CE1-CD2 3.87Å; F278-Y364 AromaticContact CE1-CE2 3.32Å; F278-Y364 HydrophobicContact CE1-CE2 3.32Å; F278-Y364 AromaticContact CZ-CD2 3.42Å; F278-Y364 HydrophobicContact CZ-CD2 3.42Å; F278-Y364 VanDerWaalsContact CZ-CD2 3.42Å; F278-Y364 AromaticContact CZ-CE2 3.4Å; F278-Y364 HydrophobicContact CZ-CE2 3.4Å; F278-Y364 HydrophobicContact CZ-CG 4.36Å; A280-Y364 HydrophobicContact CB-CE1 3.77Å; A280-Y364 HydrophobicContact CB-CE2 4.02Å; A280-Y364 VanDerWaalsContact CB-CZ 3.44Å; A280-Y364 WeakPolarHBondContact CB-OH 3.43Å; Q293-Y364 HydrophobicContact CG-CE1 4.33Å; H301-Y364 AromaticContact CE1-CE2 3.35Å; H301-Y364 WeakPolarHBondContact CE1-CE2 3.37Å; H301-Y364 AromaticContact CE1-CZ 3.78Å; H301-Y364 AromaticContact ND1-CE2 3.22Å; H301-Y364 WeakPolarHBondContact ND1-CE2 3.46Å; H301-Y364 AromaticContact ND1-CZ 3.54Å; H301-Y364 PolarHBondContact ND1-OH 3.14Å; H301-Y364 VanDerWaalsContact ND1-OH 3.09Å; M360-Y364 WeakPolarHBondContact O-CD2 3.34Å; M360-Y364 WeakPolarHBondContact O-CE2 3.46Å; E362-Y364 PolarHBondContact O-N 2.89Å; Y364-T368 VanDerWaalsContact O-CB 3.22Å; Y364-T368 WeakPolarHBondContact O-CB 3.2Å; Y364-T368 PolarHBondContact O-N 3.16Å; Y364-T368 PolarHBondContact O-OG1 2.98Å |
| 365 | R | 90 | Very high | 89.5 | Confident | 150 Ų | 150 | 54 Ų | 54 | 57% | 0.566 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65 | -46.2 | 174.8 | -75.2 | 177.3 | -74.5 | 179.8 | 0.7 | 111 | E361 E362 Y363 T368 Q369 | E361-R365 PolarHBondContact O-N 2.96Å; E361-R365 PolarHBondContact O-NE 3.17Å; E362-R365 PolarHBondContact O-N 3.35Å; E362-R365 VanDerWaalsContact O-N 3.16Å; Y363-R365 VanDerWaalsContact C-N 3.32Å; Y363-R365 PolarHBondContact O-N 3.48Å; R365-T368 PolarHBondContact O-N 3.37Å; R365-Q369 WeakPolarHBondContact O-CB 3.49Å; R365-Q369 PolarHBondContact O-N 3.24Å |
| 366 | N | 93.2 | Very high | 89.6 | Confident | 64 Ų | 64 | 60.9 Ų | 60.9 | 34% | 0.342 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 178.4 | -66.7 | -10.9 | 0 | 0 | 0 | 111.3 | E362 Y363 Q369 L370 L390 | E362-N366 VanDerWaalsContact O-CG 3.31Å; E362-N366 PolarHBondContact O-N 3.19Å; Y363-N366 PolarHBondContact O-N 3.01Å; N366-Q369 WeakPolarHBondContact O-CB 3.48Å; N366-Q369 PolarHBondContact O-N 3.49Å; N366-Q369 VanDerWaalsContact O-N 3.15Å; N366-L370 PolarHBondContact O-N 3.33Å; N366-L390 HydrophobicContact CB-CD1 4.28Å; N366-L390 HydrophobicContact CB-CD2 3.87Å |
| 367 | R | 91.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 177.7 | -163.1 | 173 | -167.7 | -84.7 | -5.5 | 111.7 | I284 S292 Q293 Y363 Q369 L370 L371 L390 D391 | I284-R367 HydrophobicContact CD1-CG 4.36Å; S292-R367 PolarHBondContact O-NH1 2.74Å; S292-R367 PolarHBondContact O-NH2 2.87Å; Q293-R367 VanDerWaalsContact OE1-NH1 3.17Å; Y363-R367 WeakPolarHBondContact O-CB 3.48Å; Y363-R367 PolarHBondContact O-N 3.27Å; Y363-R367 WeakPolarHBondContact OH-CD 3.33Å; Y363-R367 PolarHBondContact OH-NE 2.93Å; R367-Q369 VanDerWaalsContact C-N 3.27Å; R367-Q369 PolarHBondContact O-N 3.4Å; R367-L370 PolarHBondContact O-N 3.15Å; R367-L371 HydrophobicContact CG-CD1 4.5Å; R367-L371 WeakPolarHBondContact O-CG 3.32Å; R367-L371 PolarHBondContact O-N 3.22Å; R367-L390 HydrophobicContact CB-CD2 3.7Å; R367-L390 HydrophobicContact CG-CD2 4.3Å; R367-L390 VanDerWaalsContact N-CD2 3.34Å; R367-D391 VanDerWaalsContact CD-OD1 3.3Å; R367-D391 WeakPolarHBondContact CD-OD1 3.24Å; R367-D391 IonicContact CZ-OD1 3.76Å; R367-D391 IonicContact CZ-OD2 3.14Å; R367-D391 IonicContact NE-OD1 2.8Å; R367-D391 PolarHBondContact NE-OD1 3.05Å; R367-D391 IonicContact NE-OD2 3.58Å; R367-D391 PolarHBondContact NE-OD2 3.4Å; R367-D391 IonicContact NH2-OD2 2.67Å; R367-D391 PolarHBondContact NH2-OD2 3.24Å |
| 368 | T | 89.8 | Confident | 89.2 | Confident | 31 Ų | 31 | 62.4 Ų | 62.4 | 19% | 0.19 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.8 | -37.1 | 173.5 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | I284 Y364 R365 K372 | I284-T368 HydrophobicContact CG2-CG2 4.02Å; Y364-T368 VanDerWaalsContact O-CB 3.22Å; Y364-T368 WeakPolarHBondContact O-CB 3.2Å; Y364-T368 PolarHBondContact O-N 3.16Å; Y364-T368 PolarHBondContact O-OG1 2.98Å; R365-T368 PolarHBondContact O-N 3.37Å; T368-K372 HydrophobicContact CG2-CD 4.11Å; T368-K372 WeakPolarHBondContact O-CB 3.48Å; T368-K372 VanDerWaalsContact O-CG 3.25Å; T368-K372 WeakPolarHBondContact O-CG 3.43Å; T368-K372 PolarHBondContact O-N 3.3Å |
| 369 | Q | 92.1 | Very high | 88.8 | Confident | 116 Ų | 116 | 65.9 Ų | 65.9 | 54% | 0.542 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.7 | -42.3 | 177.2 | -179.2 | 172 | -24.6 | 0 | 0 | 112.2 | R365 N366 R367 K372 Q373 | R365-Q369 WeakPolarHBondContact O-CB 3.49Å; R365-Q369 PolarHBondContact O-N 3.24Å; N366-Q369 WeakPolarHBondContact O-CB 3.48Å; N366-Q369 PolarHBondContact O-N 3.49Å; N366-Q369 VanDerWaalsContact O-N 3.15Å; R367-Q369 VanDerWaalsContact C-N 3.27Å; R367-Q369 PolarHBondContact O-N 3.4Å; Q369-K372 PolarHBondContact O-N 3.09Å; Q369-Q373 WeakPolarHBondContact O-CG 3.17Å; Q369-Q373 PolarHBondContact O-N 3.04Å; Q369-Q373 VanDerWaalsContact O-N 3.08Å |
| 370 | L | 92.2 | Very high | 88.5 | Confident | 32 Ų | 32 | 64.7 Ų | 64.7 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.4 | -47 | 174.6 | -70.4 | 173.2 | 0 | 0 | 0 | 111.5 | N366 R367 K372 Q373 Y374 A386 V387 L390 | N366-L370 PolarHBondContact O-N 3.33Å; R367-L370 PolarHBondContact O-N 3.15Å; L370-K372 VanDerWaalsContact C-N 3.32Å; L370-K372 PolarHBondContact O-N 3.44Å; L370-Q373 WeakPolarHBondContact O-CA 3.41Å; L370-Q373 WeakPolarHBondContact O-CB 3.47Å; L370-Q373 PolarHBondContact O-N 3.5Å; L370-Y374 PolarHBondContact O-N 3.36Å; L370-A386 HydrophobicContact CD1-CB 4.11Å; L370-A386 HydrophobicContact CD2-CB 3.93Å; L370-V387 HydrophobicContact CB-CG2 3.71Å; L370-V387 HydrophobicContact CD1-CG2 3.94Å; L370-V387 HydrophobicContact CG-CG2 4.47Å; L370-L390 HydrophobicContact CD1-CB 4.33Å; L370-L390 HydrophobicContact CD1-CD2 3.85Å |
| 371 | L | 89 | Confident | 88.3 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61 | -39.3 | 175.7 | -67.2 | 172 | 0 | 0 | 0 | 112.1 | M100 I284 I286 F291 R367 Q373 Y374 C375 | M100-L371 HydrophobicContact CE-CD2 4.43Å; M100-L371 HydrophobicContact CG-CD2 3.7Å; M100-L371 HydrophobicContact SD-CD2 4.49Å; I284-L371 HydrophobicContact CB-CD1 4.27Å; I284-L371 HydrophobicContact CD1-CD1 3.61Å; I284-L371 HydrophobicContact CG1-CD1 4.44Å; I284-L371 HydrophobicContact CG2-CD1 4.44Å; I286-L371 HydrophobicContact CD1-CB 3.35Å; I286-L371 HydrophobicContact CD1-CD1 4.33Å; I286-L371 HydrophobicContact CD1-CG 4.49Å; F291-L371 HydrophobicContact CB-CD1 3.84Å; F291-L371 HydrophobicContact CB-CD2 4.4Å; F291-L371 HydrophobicContact CD1-CD2 3.98Å; F291-L371 HydrophobicContact CD2-CD1 4.47Å; F291-L371 HydrophobicContact CE1-CD2 4.5Å; F291-L371 HydrophobicContact CG-CD1 4.12Å; F291-L371 HydrophobicContact CG-CD2 4.14Å; R367-L371 HydrophobicContact CG-CD1 4.5Å; R367-L371 WeakPolarHBondContact O-CG 3.32Å; R367-L371 PolarHBondContact O-N 3.22Å; L371-Q373 VanDerWaalsContact C-N 3.25Å; L371-Q373 PolarHBondContact O-N 2.97Å; L371-Y374 WeakPolarHBondContact O-CB 3.49Å; L371-Y374 PolarHBondContact O-N 2.67Å; L371-Y374 VanDerWaalsContact O-N 3.14Å; L371-C375 PolarHBondContact O-N 3.42Å; L371-C375 PolarHBondContact O-SG 2.89Å |
| 372 | K | 90 | Very high | 88.4 | Confident | 105 Ų | 105 | 72.7 Ų | 72.7 | 46% | 0.457 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.1 | -26.5 | 173.4 | -79.5 | 174.1 | -179.1 | 174.7 | 0 | 113.7 | I286 T368 Q369 L370 K376 | I286-K372 HydrophobicContact CD1-CG 3.92Å; I286-K372 HydrophobicContact CG1-CG 4.2Å; I286-K372 HydrophobicContact CG2-CG 3.77Å; T368-K372 HydrophobicContact CG2-CD 4.11Å; T368-K372 WeakPolarHBondContact O-CB 3.48Å; T368-K372 VanDerWaalsContact O-CG 3.25Å; T368-K372 WeakPolarHBondContact O-CG 3.43Å; T368-K372 PolarHBondContact O-N 3.3Å; Q369-K372 PolarHBondContact O-N 3.09Å; L370-K372 VanDerWaalsContact C-N 3.32Å; L370-K372 PolarHBondContact O-N 3.44Å; K372-K376 WeakPolarHBondContact O-CG 3.38Å |
| 373 | Q | 90.3 | Very high | 88.3 | Confident | 84 Ų | 84 | 68.8 Ų | 68.8 | 39% | 0.393 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -78 | -41.9 | 170.8 | -69.6 | 172.9 | -8.6 | 0 | 0 | 110.6 | Q369 L370 L371 C375 K376 C377 L383 | Q369-Q373 WeakPolarHBondContact O-CG 3.17Å; Q369-Q373 PolarHBondContact O-N 3.04Å; Q369-Q373 VanDerWaalsContact O-N 3.08Å; L370-Q373 WeakPolarHBondContact O-CA 3.41Å; L370-Q373 WeakPolarHBondContact O-CB 3.47Å; L370-Q373 PolarHBondContact O-N 3.5Å; L371-Q373 VanDerWaalsContact C-N 3.25Å; L371-Q373 PolarHBondContact O-N 2.97Å; Q373-C375 PolarHBondContact O-N 3.01Å; Q373-K376 WeakPolarHBondContact O-CB 3.27Å; Q373-K376 PolarHBondContact O-N 2.93Å; Q373-C377 PolarHBondContact O-N 3.1Å; Q373-L383 HydrophobicContact CB-CD1 4.24Å; Q373-L383 HydrophobicContact CB-CD2 4.12Å |
| 374 | Y | 86.9 | Confident | 87.9 | Confident | 24 Ų | 24 | 69.2 Ų | 69.2 | 9% | 0.094 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.9 | -46 | 177.7 | -179.5 | -110.5 | 0 | 0 | 0 | 112.4 | M100 F291 L370 L371 K376 C377 V378 L383 V384 | M100-Y374 HydrophobicContact CB-CD1 4.36Å; M100-Y374 HydrophobicContact CB-CE1 4.02Å; M100-Y374 HydrophobicContact CE-CD1 3.59Å; M100-Y374 HydrophobicContact CE-CD2 3.37Å; M100-Y374 HydrophobicContact CE-CE1 4.05Å; M100-Y374 HydrophobicContact CE-CE2 3.85Å; M100-Y374 HydrophobicContact CE-CG 3.21Å; M100-Y374 VanDerWaalsContact O-CE1 3.22Å; M100-Y374 WeakPolarHBondContact O-CE1 3.33Å; F291-Y374 HydrophobicContact CE1-CD1 4.48Å; L370-Y374 PolarHBondContact O-N 3.36Å; L371-Y374 WeakPolarHBondContact O-CB 3.49Å; L371-Y374 PolarHBondContact O-N 2.67Å; L371-Y374 VanDerWaalsContact O-N 3.14Å; Y374-K376 PolarHBondContact O-N 3.02Å; Y374-C377 CarbonylContact O-C 3.38Å; Y374-C377 VanDerWaalsContact O-C 3.31Å; Y374-C377 PolarHBondContact O-N 2.87Å; Y374-V378 HydrophobicContact CD1-CG1 4.28Å; Y374-V378 HydrophobicContact CD2-CG1 4.47Å; Y374-V378 HydrophobicContact CE1-CG1 4.01Å; Y374-V378 HydrophobicContact CE2-CB 4.17Å; Y374-V378 HydrophobicContact CE2-CG1 4.21Å; Y374-V378 WeakPolarHBondContact O-CA 3.24Å; Y374-V378 WeakPolarHBondContact O-CG1 3.41Å; Y374-V378 PolarHBondContact O-N 3.41Å; Y374-L383 HydrophobicContact CD2-CB 4.29Å; Y374-L383 HydrophobicContact CD2-CD1 4.49Å; Y374-V384 HydrophobicContact CE2-CG2 4.21Å |
| 375 | C | 84.8 | Confident | 87.9 | Confident | 47 Ų | 47 | 71.3 Ų | 71.3 | 32% | 0.318 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -25.4 | 174.3 | -66.3 | 0 | 0 | 0 | 0 | 114.2 | F291 L371 Q373 | F291-C375 WeakPolarHBondContact CZ-SG 3.42Å; L371-C375 PolarHBondContact O-N 3.42Å; L371-C375 PolarHBondContact O-SG 2.89Å; Q373-C375 PolarHBondContact O-N 3.01Å |
| 376 | K | 86.9 | Confident | 88.1 | Confident | 175 Ų | 175 | 65.8 Ų | 65.8 | 76% | 0.761 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -27.7 | 177.6 | -62.2 | 175.9 | -177.4 | -176.3 | 0 | 112.7 | K372 Q373 Y374 | K372-K376 WeakPolarHBondContact O-CG 3.38Å; Q373-K376 WeakPolarHBondContact O-CB 3.27Å; Q373-K376 PolarHBondContact O-N 2.93Å; Y374-K376 PolarHBondContact O-N 3.02Å |
| 377 | C | 85.4 | Confident | 88 | Confident | 44 Ų | 44 | 62.8 Ų | 62.8 | 30% | 0.297 | 33% | 0.332 | S | S | . | . | trans | -138.7 | 49.5 | -167.8 | -60.6 | 0 | 0 | 0 | 0 | 112.2 | Q373 Y374 H379 I380 L383 | Q373-C377 PolarHBondContact O-N 3.1Å; Y374-C377 CarbonylContact O-C 3.38Å; Y374-C377 VanDerWaalsContact O-C 3.31Å; Y374-C377 PolarHBondContact O-N 2.87Å; C377-H379 PolarHBondContact O-N 2.76Å; C377-I380 HydrophobicContact CB-CD1 3.62Å; C377-I380 HydrophobicContact CB-CG1 3.98Å; C377-I380 PolarHBondContact O-N 3.31Å; C377-L383 HydrophobicContact CB-CD1 4.28Å | ||
| 378 | V | 80.8 | Confident | 88.1 | Confident | 91 Ų | 91 | 64.9 Ų | 64.9 | 55% | 0.552 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -13.5 | -175.4 | -71.9 | 0 | 0 | 0 | 0 | 116 | Y374 | Y374-V378 HydrophobicContact CD1-CG1 4.28Å; Y374-V378 HydrophobicContact CD2-CG1 4.47Å; Y374-V378 HydrophobicContact CE1-CG1 4.01Å; Y374-V378 HydrophobicContact CE2-CB 4.17Å; Y374-V378 HydrophobicContact CE2-CG1 4.21Å; Y374-V378 WeakPolarHBondContact O-CA 3.24Å; Y374-V378 WeakPolarHBondContact O-CG1 3.41Å; Y374-V378 PolarHBondContact O-N 3.41Å |
| 379 | H | 79.6 | Confident | 88.3 | Confident | 149 Ų | 149 | 68.1 Ų | 68.1 | 69% | 0.69 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -5.7 | 176.3 | 57.6 | -90.8 | 0 | 0 | 0 | 113.9 | C377 V381 | C377-H379 PolarHBondContact O-N 2.76Å; H379-V381 PolarHBondContact O-N 2.94Å |
| 380 | I | 84 | Confident | 88.5 | Confident | 61 Ų | 61 | 64 Ų | 64 | 31% | 0.313 | 34% | 0.335 | S | S | . | . | trans | -91.1 | 96.2 | -179.9 | -56.9 | -177.9 | 0 | 0 | 0 | 109.3 | C377 D382 L383 | C377-I380 HydrophobicContact CB-CD1 3.62Å; C377-I380 HydrophobicContact CB-CG1 3.98Å; C377-I380 PolarHBondContact O-N 3.31Å; I380-D382 HydrophobicContact CG2-CB 3.99Å; I380-D382 PolarHBondContact O-N 2.81Å; I380-L383 HydrophobicContact CB-CD1 4.02Å; I380-L383 HydrophobicContact CB-CG 4.17Å; I380-L383 HydrophobicContact CG2-CD1 4.35Å; I380-L383 HydrophobicContact CG2-CG 4Å; I380-L383 WeakPolarHBondContact O-CB 3.5Å; I380-L383 PolarHBondContact O-N 2.93Å; I380-L383 VanDerWaalsContact O-N 3.09Å | ||
| 381 | V | 85 | Confident | 88.6 | Confident | 101 Ų | 101 | 62.6 Ų | 62.6 | 61% | 0.612 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30.4 | 178.5 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | H379 L383 V384 C385 | H379-V381 PolarHBondContact O-N 2.94Å; V381-L383 PolarHBondContact O-N 3.28Å; V381-V384 WeakPolarHBondContact O-CA 3.42Å; V381-V384 WeakPolarHBondContact O-CB 3.5Å; V381-V384 PolarHBondContact O-N 3Å; V381-C385 PolarHBondContact O-N 2.91Å; V381-C385 VanDerWaalsContact O-N 3.16Å |
| 382 | D | 89 | Confident | 88.8 | Confident | 124 Ų | 124 | 62.7 Ų | 62.7 | 66% | 0.663 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -57.5 | -24.6 | 176.6 | -60.3 | -28.9 | 0 | 0 | 0 | 113 | I380 A386 | I380-D382 HydrophobicContact CG2-CB 3.99Å; I380-D382 PolarHBondContact O-N 2.81Å; D382-A386 VanDerWaalsContact O-CB 3.29Å; D382-A386 WeakPolarHBondContact O-CB 3.33Å; D382-A386 PolarHBondContact O-N 2.89Å |
| 383 | L | 89 | Confident | 89.1 | Confident | 20 Ų | 20 | 62 Ų | 62 | 11% | 0.105 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -72 | -32.7 | 174.6 | -64.8 | 173.7 | 0 | 0 | 0 | 112.2 | M100 Q373 Y374 C377 I380 V381 A386 V387 | M100-L383 HydrophobicContact CE-CB 4.49Å; Q373-L383 HydrophobicContact CB-CD1 4.24Å; Q373-L383 HydrophobicContact CB-CD2 4.12Å; Y374-L383 HydrophobicContact CD2-CB 4.29Å; Y374-L383 HydrophobicContact CD2-CD1 4.49Å; C377-L383 HydrophobicContact CB-CD1 4.28Å; I380-L383 HydrophobicContact CB-CD1 4.02Å; I380-L383 HydrophobicContact CB-CG 4.17Å; I380-L383 HydrophobicContact CG2-CD1 4.35Å; I380-L383 HydrophobicContact CG2-CG 4Å; I380-L383 WeakPolarHBondContact O-CB 3.5Å; I380-L383 PolarHBondContact O-N 2.93Å; I380-L383 VanDerWaalsContact O-N 3.09Å; V381-L383 PolarHBondContact O-N 3.28Å; L383-A386 PolarHBondContact O-N 3.08Å; L383-V387 WeakPolarHBondContact O-CG2 3.49Å; L383-V387 PolarHBondContact O-N 3.37Å |
| 384 | V | 86.6 | Confident | 89.3 | Confident | 13 Ų | 13 | 58.7 Ų | 58.7 | 8% | 0.079 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.1 | -47 | 172.6 | -177.1 | 0 | 0 | 0 | 0 | 109.9 | A96 D97 M100 Y374 V381 A386 V387 Y388 | A96-V384 HydrophobicContact CB-CG1 4.27Å; D97-V384 HydrophobicContact CB-CG1 3.79Å; M100-V384 HydrophobicContact CE-CG2 3.92Å; M100-V384 HydrophobicContact SD-CB 4.19Å; M100-V384 HydrophobicContact SD-CG1 4.29Å; M100-V384 HydrophobicContact SD-CG2 4.04Å; Y374-V384 HydrophobicContact CE2-CG2 4.21Å; V381-V384 WeakPolarHBondContact O-CA 3.42Å; V381-V384 WeakPolarHBondContact O-CB 3.5Å; V381-V384 PolarHBondContact O-N 3Å; V384-A386 VanDerWaalsContact C-N 3.26Å; V384-A386 PolarHBondContact O-N 3.35Å; V384-V387 PolarHBondContact O-N 3.5Å; V384-Y388 PolarHBondContact O-N 3Å |
| 385 | C | 89.8 | Confident | 89.6 | Confident | 67 Ų | 67 | 57.6 Ų | 57.6 | 45% | 0.453 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.1 | -37 | 173.6 | -59.8 | 0 | 0 | 0 | 0 | 112.4 | V381 Q389 | V381-C385 PolarHBondContact O-N 2.91Å; V381-C385 VanDerWaalsContact O-N 3.16Å; C385-Q389 WeakPolarHBondContact O-CB 3.44Å; C385-Q389 PolarHBondContact O-N 3.27Å |
| 386 | A | 93.3 | Very high | 90 | Very high | 34 Ų | 34 | 59.1 Ų | 59.1 | 28% | 0.281 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.7 | -38.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L370 D382 L383 V384 L390 | L370-A386 HydrophobicContact CD1-CB 4.11Å; L370-A386 HydrophobicContact CD2-CB 3.93Å; D382-A386 VanDerWaalsContact O-CB 3.29Å; D382-A386 WeakPolarHBondContact O-CB 3.33Å; D382-A386 PolarHBondContact O-N 2.89Å; L383-A386 PolarHBondContact O-N 3.08Å; V384-A386 VanDerWaalsContact C-N 3.26Å; V384-A386 PolarHBondContact O-N 3.35Å; A386-L390 WeakPolarHBondContact O-CB 3.42Å; A386-L390 PolarHBondContact O-N 2.76Å |
| 387 | V | 91.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.9 | -44 | 173.9 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | M100 L370 L383 V384 Q389 L390 D391 | M100-V387 HydrophobicContact CE-CG2 4.17Å; M100-V387 HydrophobicContact CG-CG1 4.32Å; M100-V387 HydrophobicContact SD-CB 3.54Å; M100-V387 VanDerWaalsContact SD-CB 3.54Å; M100-V387 HydrophobicContact SD-CG1 3.94Å; M100-V387 HydrophobicContact SD-CG2 3.55Å; M100-V387 VanDerWaalsContact SD-CG2 3.55Å; L370-V387 HydrophobicContact CB-CG2 3.71Å; L370-V387 HydrophobicContact CD1-CG2 3.94Å; L370-V387 HydrophobicContact CG-CG2 4.47Å; L383-V387 WeakPolarHBondContact O-CG2 3.49Å; L383-V387 PolarHBondContact O-N 3.37Å; V384-V387 PolarHBondContact O-N 3.5Å; V387-Q389 PolarHBondContact O-N 3.07Å; V387-L390 PolarHBondContact O-N 3.15Å; V387-D391 WeakPolarHBondContact O-CB 3.27Å; V387-D391 VanDerWaalsContact O-CG 3.29Å; V387-D391 PolarHBondContact O-N 3.17Å |
| 388 | Y | 92.8 | Very high | 90.7 | Very high | 45 Ų | 45 | 50 Ų | 50 | 18% | 0.176 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -54.2 | -50.5 | 172.6 | 171 | -103.2 | 0 | 0 | 0 | 111.7 | M89 F91 D92 P93 A96 V384 L390 D391 A392 | M89-Y388 WeakPolarHBondContact CE-OH 3.49Å; F91-Y388 HydrophobicContact CD2-CD2 4.24Å; F91-Y388 AromaticContact CD2-CE2 3.98Å; F91-Y388 HydrophobicContact CD2-CE2 3.98Å; F91-Y388 HydrophobicContact CE2-CD2 4.31Å; F91-Y388 HydrophobicContact CE2-CE2 4.1Å; D92-Y388 WeakPolarHBondContact O-CD2 3.47Å; P93-Y388 HydrophobicContact CB-CD2 4.34Å; P93-Y388 HydrophobicContact CB-CG 4.28Å; P93-Y388 HydrophobicContact CG-CD1 4.09Å; P93-Y388 HydrophobicContact CG-CD2 4.15Å; P93-Y388 HydrophobicContact CG-CE1 3.96Å; P93-Y388 HydrophobicContact CG-CE2 4.03Å; P93-Y388 HydrophobicContact CG-CG 4.18Å; A96-Y388 HydrophobicContact CB-CD2 4.41Å; A96-Y388 HydrophobicContact CB-CG 4.49Å; V384-Y388 PolarHBondContact O-N 3Å; Y388-L390 VanDerWaalsContact C-N 3.33Å; Y388-L390 PolarHBondContact O-N 3.23Å; Y388-D391 PolarHBondContact O-N 3.45Å; Y388-A392 VanDerWaalsContact O-CB 3.23Å; Y388-A392 WeakPolarHBondContact O-CB 3.22Å; Y388-A392 PolarHBondContact O-N 3.26Å |
| 389 | Q | 95.3 | Very high | 91.3 | Very high | 98 Ų | 98 | 46 Ų | 46 | 46% | 0.458 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.8 | -37.3 | -178.8 | -170.7 | 63.7 | 51.6 | 0 | 0 | 112 | C385 V387 A392 D393 | C385-Q389 WeakPolarHBondContact O-CB 3.44Å; C385-Q389 PolarHBondContact O-N 3.27Å; V387-Q389 PolarHBondContact O-N 3.07Å; Q389-A392 WeakPolarHBondContact O-CB 3.31Å; Q389-A392 PolarHBondContact O-N 3.42Å; Q389-D393 PolarHBondContact NE2-OD1 3.4Å; Q389-D393 WeakPolarHBondContact O-CB 3.49Å; Q389-D393 PolarHBondContact O-N 2.72Å |
| 390 | L | 95.7 | Very high | 92 | Very high | 31 Ų | 31 | 44.9 Ų | 44.9 | 16% | 0.162 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.6 | -42.9 | 176 | 179.6 | 64.5 | 0 | 0 | 0 | 112.1 | Y363 N366 R367 L370 A386 V387 Y388 Q394 | Y363-L390 HydrophobicContact CD2-CD1 4.15Å; Y363-L390 HydrophobicContact CD2-CD2 4.31Å; Y363-L390 HydrophobicContact CD2-CG 3.87Å; Y363-L390 HydrophobicContact CE2-CG 4.1Å; N366-L390 HydrophobicContact CB-CD1 4.28Å; N366-L390 HydrophobicContact CB-CD2 3.87Å; R367-L390 HydrophobicContact CB-CD2 3.7Å; R367-L390 HydrophobicContact CG-CD2 4.3Å; R367-L390 VanDerWaalsContact N-CD2 3.34Å; L370-L390 HydrophobicContact CD1-CB 4.33Å; L370-L390 HydrophobicContact CD1-CD2 3.85Å; A386-L390 WeakPolarHBondContact O-CB 3.42Å; A386-L390 PolarHBondContact O-N 2.76Å; V387-L390 PolarHBondContact O-N 3.15Å; Y388-L390 VanDerWaalsContact C-N 3.33Å; Y388-L390 PolarHBondContact O-N 3.23Å; L390-Q394 WeakPolarHBondContact O-CB 3.08Å; L390-Q394 PolarHBondContact O-N 3.09Å; L390-Q394 VanDerWaalsContact O-N 3.08Å |
| 391 | D | 93.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.011 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.9 | -39.2 | 177.3 | -67.4 | -2.1 | 0 | 0 | 0 | 110.2 | F91 N294 V297 Y363 R367 V387 Y388 Y395 | F91-D391 HydrophobicContact CE2-CB 4.23Å; F91-D391 HydrophobicContact CZ-CB 4.31Å; N294-D391 HydrophobicContact CB-CB 4.22Å; N294-D391 WeakPolarHBondContact CB-OD2 3.46Å; V297-D391 HydrophobicContact CG2-CB 4.16Å; V297-D391 WeakPolarHBondContact CG2-O 3.45Å; Y363-D391 WeakPolarHBondContact CE2-OD1 3.48Å; Y363-D391 PolarHBondContact OH-OD1 3.2Å; Y363-D391 VanDerWaalsContact OH-OD1 3.13Å; R367-D391 VanDerWaalsContact CD-OD1 3.3Å; R367-D391 WeakPolarHBondContact CD-OD1 3.24Å; R367-D391 IonicContact CZ-OD1 3.76Å; R367-D391 IonicContact CZ-OD2 3.14Å; R367-D391 IonicContact NE-OD1 2.8Å; R367-D391 PolarHBondContact NE-OD1 3.05Å; R367-D391 IonicContact NE-OD2 3.58Å; R367-D391 PolarHBondContact NE-OD2 3.4Å; R367-D391 IonicContact NH2-OD2 2.67Å; R367-D391 PolarHBondContact NH2-OD2 3.24Å; V387-D391 WeakPolarHBondContact O-CB 3.27Å; V387-D391 VanDerWaalsContact O-CG 3.29Å; V387-D391 PolarHBondContact O-N 3.17Å; Y388-D391 PolarHBondContact O-N 3.45Å; D391-Y395 WeakPolarHBondContact O-CB 3.32Å; D391-Y395 PolarHBondContact O-N 2.8Å |
| 392 | A | 93.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 38 Ų | 38 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -53.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | M89 F91 Y388 Q389 Q394 Y395 H396 | M89-A392 HydrophobicContact CE-CB 4Å; M89-A392 WeakPolarHBondContact SD-CA 3.4Å; M89-A392 HydrophobicContact SD-CB 3.22Å; M89-A392 WeakPolarHBondContact SD-CB 3.43Å; F91-A392 HydrophobicContact CE2-CB 4.48Å; Y388-A392 VanDerWaalsContact O-CB 3.23Å; Y388-A392 WeakPolarHBondContact O-CB 3.22Å; Y388-A392 PolarHBondContact O-N 3.26Å; Q389-A392 WeakPolarHBondContact O-CB 3.31Å; Q389-A392 PolarHBondContact O-N 3.42Å; A392-Q394 VanDerWaalsContact C-N 3.26Å; A392-Q394 PolarHBondContact O-N 3.45Å; A392-Y395 WeakPolarHBondContact O-CB 3.3Å; A392-Y395 PolarHBondContact O-N 3.19Å; A392-H396 PolarHBondContact O-CD2 3.11Å; A392-H396 VanDerWaalsContact O-CD2 3.25Å; A392-H396 PolarHBondContact O-N 3.47Å; A392-H396 VanDerWaalsContact O-N 3.12Å |
| 393 | D | 95.4 | Very high | 93.2 | Very high | 89 Ų | 89 | 36.4 Ų | 36.4 | 48% | 0.476 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.9 | -39.9 | 179.2 | -72.1 | -15 | 0 | 0 | 0 | 110.7 | Q389 H396 A397 | Q389-D393 PolarHBondContact NE2-OD1 3.4Å; Q389-D393 WeakPolarHBondContact O-CB 3.49Å; Q389-D393 PolarHBondContact O-N 2.72Å; D393-H396 PolarHBondContact O-N 2.82Å; D393-A397 VanDerWaalsContact O-CB 3.29Å; D393-A397 WeakPolarHBondContact O-CB 3.2Å; D393-A397 PolarHBondContact O-N 2.94Å |
| 394 | Q | 94.7 | Very high | 93.4 | Very high | 15 Ų | 15 | 36.9 Ų | 36.9 | 7% | 0.07 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.6 | -36.4 | 179.2 | -173.1 | 67.2 | -11.4 | 0 | 0 | 113.1 | V297 H301 Y363 L390 A392 A397 C398 R401 | V297-Q394 HydrophobicContact CG1-CB 4.15Å; V297-Q394 HydrophobicContact CG1-CG 3.68Å; H301-Q394 PolarHBondContact CE1-NE2 3.08Å; H301-Q394 VanDerWaalsContact CE1-NE2 3.26Å; H301-Q394 VanDerWaalsContact NE2-CG 3.31Å; H301-Q394 WeakPolarHBondContact NE2-CG 3.25Å; H301-Q394 PolarHBondContact NE2-NE2 3.39Å; Y363-Q394 HydrophobicContact CD1-CG 4.22Å; Y363-Q394 HydrophobicContact CD2-CB 3.55Å; Y363-Q394 HydrophobicContact CD2-CG 3.58Å; Y363-Q394 HydrophobicContact CE2-CB 3.87Å; Y363-Q394 HydrophobicContact CE2-CG 4.05Å; Y363-Q394 HydrophobicContact CG-CB 4.17Å; Y363-Q394 HydrophobicContact CG-CG 3.67Å; L390-Q394 WeakPolarHBondContact O-CB 3.08Å; L390-Q394 PolarHBondContact O-N 3.09Å; L390-Q394 VanDerWaalsContact O-N 3.08Å; A392-Q394 VanDerWaalsContact C-N 3.26Å; A392-Q394 PolarHBondContact O-N 3.45Å; Q394-A397 PolarHBondContact O-N 2.64Å; Q394-C398 PolarHBondContact O-N 2.88Å; Q394-R401 VanDerWaalsContact CD-NH1 3.31Å |
| 395 | Y | 93.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.4 | -51.7 | 171 | 178.3 | -89.9 | 0 | 0 | 0 | 110.4 | F85 P86 M89 P90 F91 L300 D391 A392 A397 C398 C399 | F85-Y395 HydrophobicContact CD1-CE2 4.04Å; P86-Y395 WeakPolarHBondContact CD-OH 3.5Å; P86-Y395 WeakPolarHBondContact O-CE1 3.49Å; P86-Y395 PolarHBondContact O-OH 3.05Å; M89-Y395 HydrophobicContact CG-CD1 3.82Å; M89-Y395 HydrophobicContact CG-CE1 4.24Å; M89-Y395 HydrophobicContact CG-CG 4.4Å; P90-Y395 HydrophobicContact CG-CE2 4.01Å; F91-Y395 AromaticContact CE1-CD2 3.93Å; F91-Y395 HydrophobicContact CE1-CD2 3.93Å; F91-Y395 HydrophobicContact CE1-CG 4.13Å; F91-Y395 HydrophobicContact CZ-CG 4.47Å; L300-Y395 HydrophobicContact CD1-CD2 3.34Å; L300-Y395 HydrophobicContact CD1-CE2 3.53Å; L300-Y395 HydrophobicContact CD1-CG 3.93Å; L300-Y395 HydrophobicContact CG-CE2 4.5Å; D391-Y395 WeakPolarHBondContact O-CB 3.32Å; D391-Y395 PolarHBondContact O-N 2.8Å; A392-Y395 WeakPolarHBondContact O-CB 3.3Å; A392-Y395 PolarHBondContact O-N 3.19Å; Y395-A397 PolarHBondContact O-N 2.86Å; Y395-C398 PolarHBondContact O-N 3.28Å; Y395-C399 PolarHBondContact O-N 3.35Å; Y395-C399 VanDerWaalsContact O-N 3.16Å |
| 396 | H | 94 | Very high | 94.2 | Very high | 80 Ų | 80 | 36.2 Ų | 36.2 | 37% | 0.37 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.6 | -40 | 176.9 | -67.6 | -50.4 | 0 | 0 | 0 | 112.8 | T87 A392 D393 C398 C399 F400 | T87-H396 PolarHBondContact O-CE1 3.35Å; A392-H396 PolarHBondContact O-CD2 3.11Å; A392-H396 VanDerWaalsContact O-CD2 3.25Å; A392-H396 PolarHBondContact O-N 3.47Å; A392-H396 VanDerWaalsContact O-N 3.12Å; D393-H396 PolarHBondContact O-N 2.82Å; H396-C398 PolarHBondContact O-N 2.9Å; H396-C399 PolarHBondContact O-N 2.82Å; H396-F400 WeakPolarHBondContact O-CB 3.27Å; H396-F400 PolarHBondContact O-N 2.92Å |
| 397 | A | 95 | Very high | 94.3 | Very high | 26 Ų | 26 | 38.5 Ų | 38.5 | 22% | 0.215 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.9 | -38.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | D393 Q394 Y395 F400 R401 | D393-A397 VanDerWaalsContact O-CB 3.29Å; D393-A397 WeakPolarHBondContact O-CB 3.2Å; D393-A397 PolarHBondContact O-N 2.94Å; Q394-A397 PolarHBondContact O-N 2.64Å; Y395-A397 PolarHBondContact O-N 2.86Å; A397-F400 PolarHBondContact O-N 3.21Å; A397-R401 WeakPolarHBondContact O-CB 3.35Å; A397-R401 VanDerWaalsContact O-CD 3.32Å; A397-R401 WeakPolarHBondContact O-CD 3.33Å; A397-R401 WeakPolarHBondContact O-CG 3.48Å; A397-R401 PolarHBondContact O-N 3.34Å |
| 398 | C | 92.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.4 | -45.7 | 173.7 | -77.6 | 0 | 0 | 0 | 0 | 112.7 | L300 H301 V304 Q394 Y395 H396 F400 R401 L402 | L300-C398 HydrophobicContact CB-CB 3.83Å; L300-C398 HydrophobicContact CD1-CB 3.99Å; L300-C398 HydrophobicContact CG-CB 4.37Å; H301-C398 VanDerWaalsContact CD2-SG 3.59Å; V304-C398 HydrophobicContact CG2-CB 3.83Å; Q394-C398 PolarHBondContact O-N 2.88Å; Y395-C398 PolarHBondContact O-N 3.28Å; H396-C398 PolarHBondContact O-N 2.9Å; C398-F400 VanDerWaalsContact C-N 3.26Å; C398-F400 PolarHBondContact O-N 2.95Å; C398-R401 PolarHBondContact O-N 2.74Å; C398-L402 PolarHBondContact O-N 2.91Å |
| 399 | C | 92.8 | Very high | 94.7 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 5% | 0.047 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.4 | -35.8 | 173.1 | -69.3 | 0 | 0 | 0 | 0 | 112.4 | L82 Y395 H396 R403 | L82-C399 HydrophobicContact CD2-CB 4.34Å; L82-C399 WeakPolarHBondContact CD2-O 3.49Å; Y395-C399 PolarHBondContact O-N 3.35Å; Y395-C399 VanDerWaalsContact O-N 3.16Å; H396-C399 PolarHBondContact O-N 2.82Å; C399-R403 VanDerWaalsContact O-CG 3.32Å; C399-R403 WeakPolarHBondContact O-CG 3.48Å; C399-R403 PolarHBondContact O-N 3.29Å |
| 400 | F | 94.1 | Very high | 94.7 | Very high | 127 Ų | 127 | 35.6 Ų | 35.6 | 56% | 0.557 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -69 | -43 | 175.3 | -175.5 | -110.3 | 0 | 0 | 0 | 112.9 | H396 A397 C398 L402 R403 I404 | H396-F400 WeakPolarHBondContact O-CB 3.27Å; H396-F400 PolarHBondContact O-N 2.92Å; A397-F400 PolarHBondContact O-N 3.21Å; C398-F400 VanDerWaalsContact C-N 3.26Å; C398-F400 PolarHBondContact O-N 2.95Å; F400-L402 PolarHBondContact O-N 2.85Å; F400-R403 WeakPolarHBondContact O-CB 3.28Å; F400-R403 PolarHBondContact O-N 2.91Å; F400-R403 VanDerWaalsContact O-N 3.13Å; F400-I404 HydrophobicContact CD1-CD1 3.82Å; F400-I404 HydrophobicContact CE1-CD1 3.44Å; F400-I404 VanDerWaalsContact CE1-CD1 3.44Å; F400-I404 HydrophobicContact CE1-CG1 4.26Å; F400-I404 HydrophobicContact CZ-CD1 3.96Å; F400-I404 HydrophobicContact CZ-CG1 4.36Å; F400-I404 PolarHBondContact O-N 3.46Å |
| 401 | R | 94.8 | Very high | 94.7 | Very high | 17 Ų | 17 | 38.2 Ų | 38.2 | 6% | 0.064 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.7 | -42.7 | 175.2 | -71.2 | 158.2 | -177.4 | 136.5 | 6.1 | 112.2 | V304 I356 Q359 Q394 A397 C398 I404 M405 | V304-R401 HydrophobicContact CG1-CB 4.46Å; I356-R401 HydrophobicContact CD1-CB 4.09Å; I356-R401 HydrophobicContact CD1-CG 4.05Å; I356-R401 HydrophobicContact CG1-CG 4.08Å; I356-R401 HydrophobicContact CG2-CG 4.35Å; Q359-R401 VanDerWaalsContact OE1-NE 3.11Å; Q394-R401 VanDerWaalsContact CD-NH1 3.31Å; A397-R401 WeakPolarHBondContact O-CB 3.35Å; A397-R401 VanDerWaalsContact O-CD 3.32Å; A397-R401 WeakPolarHBondContact O-CD 3.33Å; A397-R401 WeakPolarHBondContact O-CG 3.48Å; A397-R401 PolarHBondContact O-N 3.34Å; C398-R401 PolarHBondContact O-N 2.74Å; R401-I404 PolarHBondContact O-N 3.29Å; R401-M405 PolarHBondContact O-N 2.67Å |
| 402 | L | 93.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.6 | -45.2 | 172.4 | -73.2 | 167.7 | 0 | 0 | 0 | 111.4 | V78 I81 L82 L300 V304 E307 C398 F400 I404 M405 R406 | V78-L402 HydrophobicContact CG1-CB 3.91Å; V78-L402 HydrophobicContact CG1-CD2 4.12Å; V78-L402 VanDerWaalsContact CG1-O 3.29Å; V78-L402 WeakPolarHBondContact CG1-O 3.23Å; I81-L402 HydrophobicContact CG2-CD1 3.84Å; L82-L402 HydrophobicContact CD1-CB 4.29Å; L82-L402 HydrophobicContact CD2-CB 3.88Å; L82-L402 HydrophobicContact CD2-CD1 4.27Å; L82-L402 HydrophobicContact CG-CB 4.14Å; L300-L402 HydrophobicContact CD2-CD1 4.19Å; V304-L402 HydrophobicContact CG2-CD1 4.26Å; V304-L402 HydrophobicContact CG2-CD2 4.25Å; V304-L402 HydrophobicContact CG2-CG 3.89Å; E307-L402 HydrophobicContact CB-CD2 4.26Å; C398-L402 PolarHBondContact O-N 2.91Å; F400-L402 PolarHBondContact O-N 2.85Å; L402-I404 VanDerWaalsContact C-N 3.33Å; L402-I404 PolarHBondContact O-N 3.17Å; L402-M405 HydrophobicContact CD2-CE 4.06Å; L402-M405 PolarHBondContact O-N 2.75Å; L402-R406 WeakPolarHBondContact O-CB 3.38Å; L402-R406 PolarHBondContact O-N 3.45Å |
| 403 | R | 94.6 | Very high | 94.7 | Very high | 91 Ų | 91 | 39 Ų | 39 | 34% | 0.343 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.7 | -38.5 | 176 | -70.6 | 167 | -176.2 | 167.4 | 1.6 | 112.5 | L82 C399 F400 N407 | L82-R403 HydrophobicContact CD1-CB 4.45Å; L82-R403 HydrophobicContact CD1-CG 3.55Å; L82-R403 HydrophobicContact CD2-CG 4.03Å; L82-R403 HydrophobicContact CG-CG 4.46Å; C399-R403 VanDerWaalsContact O-CG 3.32Å; C399-R403 WeakPolarHBondContact O-CG 3.48Å; C399-R403 PolarHBondContact O-N 3.29Å; F400-R403 WeakPolarHBondContact O-CB 3.28Å; F400-R403 PolarHBondContact O-N 2.91Å; F400-R403 VanDerWaalsContact O-N 3.13Å; R403-N407 WeakPolarHBondContact O-CB 3Å; R403-N407 PolarHBondContact O-N 3.25Å; R403-N407 PolarHBondContact O-ND2 3.15Å; R403-N407 PolarHBondContact O-OD1 3.41Å |
| 404 | I | 94.3 | Very high | 94.5 | Very high | 30 Ų | 30 | 40.1 Ų | 40.1 | 15% | 0.154 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.9 | -53.3 | 173.6 | -72.2 | 168.9 | 0 | 0 | 0 | 110.6 | F400 R401 L402 R406 N407 H408 | F400-I404 HydrophobicContact CD1-CD1 3.82Å; F400-I404 HydrophobicContact CE1-CD1 3.44Å; F400-I404 VanDerWaalsContact CE1-CD1 3.44Å; F400-I404 HydrophobicContact CE1-CG1 4.26Å; F400-I404 HydrophobicContact CZ-CD1 3.96Å; F400-I404 HydrophobicContact CZ-CG1 4.36Å; F400-I404 PolarHBondContact O-N 3.46Å; R401-I404 PolarHBondContact O-N 3.29Å; L402-I404 VanDerWaalsContact C-N 3.33Å; L402-I404 PolarHBondContact O-N 3.17Å; I404-R406 VanDerWaalsContact C-N 3.35Å; I404-R406 PolarHBondContact O-N 3.47Å; I404-N407 PolarHBondContact O-N 3.29Å; I404-N407 VanDerWaalsContact O-N 3.14Å; I404-H408 PolarHBondContact O-N 3.39Å |
| 405 | M | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.8 | -44.8 | -179.6 | -71.2 | -175.3 | -74 | 0 | 0 | 111.9 | V304 E307 L308 F311 V353 R401 L402 N407 H408 Y409 | V304-M405 HydrophobicContact CG1-CE 4.31Å; E307-M405 HydrophobicContact CB-CE 3.89Å; E307-M405 HydrophobicContact CB-SD 4.15Å; E307-M405 HydrophobicContact CG-CB 4.37Å; E307-M405 HydrophobicContact CG-CE 3.94Å; E307-M405 HydrophobicContact CG-SD 3.87Å; L308-M405 HydrophobicContact CB-SD 4.41Å; F311-M405 HydrophobicContact CB-SD 4.24Å; F311-M405 HydrophobicContact CD2-CB 3.77Å; F311-M405 HydrophobicContact CD2-CG 3.8Å; F311-M405 HydrophobicContact CD2-SD 4.41Å; F311-M405 HydrophobicContact CE2-CB 4.03Å; F311-M405 HydrophobicContact CE2-CG 4.11Å; F311-M405 HydrophobicContact CG-CG 4.25Å; F311-M405 HydrophobicContact CG-SD 4.4Å; V353-M405 HydrophobicContact CG1-CG 3.97Å; R401-M405 PolarHBondContact O-N 2.67Å; L402-M405 HydrophobicContact CD2-CE 4.06Å; L402-M405 PolarHBondContact O-N 2.75Å; M405-N407 PolarHBondContact O-N 3.42Å; M405-H408 PolarHBondContact O-N 3.49Å; M405-Y409 WeakPolarHBondContact O-CD2 3.32Å; M405-Y409 PolarHBondContact O-N 2.96Å; M405-Y409 VanDerWaalsContact O-N 3.09Å |
| 406 | R | 95.9 | Very high | 94.2 | Very high | 65 Ų | 65 | 39.9 Ų | 39.9 | 25% | 0.245 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.5 | -49.6 | 172.8 | -173 | -161 | 63.8 | -178 | -2.3 | 112.5 | A75 V78 N79 L402 I404 H408 Y409 V410 | A75-R406 HydrophobicContact CB-CG 4.36Å; V78-R406 HydrophobicContact CB-CB 4.09Å; V78-R406 HydrophobicContact CB-CG 4.42Å; V78-R406 HydrophobicContact CG1-CB 3.76Å; V78-R406 HydrophobicContact CG1-CG 4.46Å; N79-R406 WeakPolarHBondContact OD1-CD 3.38Å; N79-R406 PolarHBondContact OD1-NH1 2.88Å; L402-R406 WeakPolarHBondContact O-CB 3.38Å; L402-R406 PolarHBondContact O-N 3.45Å; I404-R406 VanDerWaalsContact C-N 3.35Å; I404-R406 PolarHBondContact O-N 3.47Å; R406-H408 VanDerWaalsContact C-N 3.3Å; R406-H408 PolarHBondContact O-N 3.39Å; R406-Y409 PolarHBondContact O-N 3.5Å; R406-V410 PolarHBondContact O-N 3Å |
| 407 | N | 95.9 | Very high | 93.8 | Very high | 82 Ų | 82 | 37.1 Ų | 37.1 | 44% | 0.439 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.9 | -37.5 | -177.7 | -68.5 | -6.3 | 0 | 0 | 0 | 111.5 | R403 I404 M405 V410 L411 | R403-N407 WeakPolarHBondContact O-CB 3Å; R403-N407 PolarHBondContact O-N 3.25Å; R403-N407 PolarHBondContact O-ND2 3.15Å; R403-N407 PolarHBondContact O-OD1 3.41Å; I404-N407 PolarHBondContact O-N 3.29Å; I404-N407 VanDerWaalsContact O-N 3.14Å; M405-N407 PolarHBondContact O-N 3.42Å; N407-V410 PolarHBondContact O-N 3.45Å; N407-L411 VanDerWaalsContact O-CB 3.27Å; N407-L411 WeakPolarHBondContact O-CB 3.35Å; N407-L411 PolarHBondContact O-N 3.03Å |
| 408 | H | 96.6 | Very high | 93.4 | Very high | 26 Ų | 26 | 39.4 Ų | 39.4 | 12% | 0.12 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 175.5 | -85.2 | -46.9 | 0 | 0 | 0 | 112.9 | F311 F315 E352 I404 M405 R406 V410 L411 M412 | F311-H408 HydrophobicContact CE2-CB 3.6Å; F311-H408 HydrophobicContact CZ-CB 3.63Å; F315-H408 HydrophobicContact CE1-CB 4.46Å; F315-H408 HydrophobicContact CZ-CB 3.89Å; E352-H408 IonicContact OE2-CD2 3.69Å; E352-H408 IonicContact OE2-CE1 2.75Å; E352-H408 PolarHBondContact OE2-CE1 3.45Å; E352-H408 VanDerWaalsContact OE2-CE1 3.31Å; E352-H408 IonicContact OE2-NE2 3.24Å; E352-H408 PolarHBondContact OE2-NE2 2.77Å; I404-H408 PolarHBondContact O-N 3.39Å; M405-H408 PolarHBondContact O-N 3.49Å; R406-H408 VanDerWaalsContact C-N 3.3Å; R406-H408 PolarHBondContact O-N 3.39Å; H408-V410 PolarHBondContact O-N 3.2Å; H408-L411 PolarHBondContact O-N 2.91Å; H408-M412 WeakPolarHBondContact O-CB 3.43Å; H408-M412 VanDerWaalsContact O-CG 3.31Å; H408-M412 WeakPolarHBondContact O-CG 3.22Å; H408-M412 PolarHBondContact O-N 3.13Å |
| 409 | Y | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.2 | -49 | 173.3 | -71 | -55.3 | 0 | 0 | 0 | 111.8 | F71 R74 V78 E307 F311 F315 M405 R406 H413 | F71-Y409 HydrophobicContact CB-CD1 4.34Å; F71-Y409 AromaticContact CD1-CD1 3.61Å; F71-Y409 HydrophobicContact CD1-CD1 3.61Å; F71-Y409 HydrophobicContact CD1-CE1 4.12Å; F71-Y409 HydrophobicContact CE1-CD1 4.16Å; F71-Y409 HydrophobicContact CE1-CE1 4.47Å; F71-Y409 HydrophobicContact CG-CD1 4.16Å; F71-Y409 WeakPolarHBondContact O-CB 3.36Å; R74-Y409 HydrophobicContact CB-CD1 4.14Å; R74-Y409 HydrophobicContact CB-CD2 3.74Å; R74-Y409 HydrophobicContact CB-CE1 3.81Å; R74-Y409 HydrophobicContact CB-CE2 3.39Å; R74-Y409 HydrophobicContact CB-CG 4.11Å; R74-Y409 HydrophobicContact CG-CE1 4.08Å; R74-Y409 HydrophobicContact CG-CE2 4.27Å; V78-Y409 HydrophobicContact CG2-CE2 4.36Å; E307-Y409 VanDerWaalsContact OE1-CE2 3.23Å; E307-Y409 WeakPolarHBondContact OE1-CE2 3.31Å; E307-Y409 PolarHBondContact OE1-OH 3.38Å; F311-Y409 VanDerWaalsContact CA-OH 3.3Å; F311-Y409 WeakPolarHBondContact CA-OH 3.49Å; F311-Y409 HydrophobicContact CD2-CD1 4.49Å; F311-Y409 AromaticContact CD2-CE1 3.91Å; F311-Y409 HydrophobicContact CD2-CE1 3.91Å; F311-Y409 AromaticContact CD2-CE2 3.95Å; F311-Y409 HydrophobicContact CD2-CE2 3.95Å; F311-Y409 AromaticContact CD2-CZ 3.63Å; F311-Y409 HydrophobicContact CE2-CE1 4.47Å; F311-Y409 PolarHBondContact N-OH 2.94Å; F315-Y409 HydrophobicContact CD2-CE1 4.37Å; F315-Y409 AromaticContact CE2-CD1 3.75Å; F315-Y409 HydrophobicContact CE2-CD1 3.75Å; F315-Y409 AromaticContact CE2-CE1 3.87Å; F315-Y409 HydrophobicContact CE2-CE1 3.87Å; M405-Y409 WeakPolarHBondContact O-CD2 3.32Å; M405-Y409 PolarHBondContact O-N 2.96Å; M405-Y409 VanDerWaalsContact O-N 3.09Å; R406-Y409 PolarHBondContact O-N 3.5Å; Y409-H413 VanDerWaalsContact O-CB 3.3Å; Y409-H413 WeakPolarHBondContact O-CB 3.03Å; Y409-H413 PolarHBondContact O-N 3.38Å |
| 410 | V | 95.3 | Very high | 92.4 | Very high | 57 Ų | 57 | 42.4 Ų | 42.4 | 35% | 0.345 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63 | -49 | 178.9 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | A75 R406 N407 H408 M412 H413 E414 | A75-V410 HydrophobicContact CB-CG2 3.82Å; R406-V410 PolarHBondContact O-N 3Å; N407-V410 PolarHBondContact O-N 3.45Å; H408-V410 PolarHBondContact O-N 3.2Å; V410-M412 VanDerWaalsContact C-N 3.33Å; V410-M412 PolarHBondContact O-N 3.39Å; V410-H413 WeakPolarHBondContact O-CB 3.44Å; V410-H413 PolarHBondContact O-N 3.36Å; V410-E414 WeakPolarHBondContact O-CG 3.16Å; V410-E414 PolarHBondContact O-N 3.38Å |
| 411 | L | 94.8 | Very high | 91.8 | Very high | 85 Ų | 85 | 40.9 Ų | 40.9 | 45% | 0.445 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64 | -36.9 | -177.6 | -175.5 | 67.2 | 0 | 0 | 0 | 112.6 | N407 H408 S415 | N407-L411 VanDerWaalsContact O-CB 3.27Å; N407-L411 WeakPolarHBondContact O-CB 3.35Å; N407-L411 PolarHBondContact O-N 3.03Å; H408-L411 PolarHBondContact O-N 2.91Å; L411-S415 VanDerWaalsContact O-CB 3.25Å; L411-S415 WeakPolarHBondContact O-CB 3.34Å; L411-S415 PolarHBondContact O-N 3.35Å; L411-S415 PolarHBondContact O-OG 3.01Å |
| 412 | M | 93.8 | Very high | 91.1 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.02 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -77.5 | -34.1 | 177.4 | -68.2 | -55.6 | 104.7 | 0 | 0 | 112.3 | F71 F315 R345 L346 H408 V410 S415 L416 | F71-M412 HydrophobicContact CD2-CB 4.06Å; F71-M412 HydrophobicContact CE2-CB 3.55Å; F71-M412 HydrophobicContact CZ-CB 4.27Å; F315-M412 HydrophobicContact CE1-CB 4.42Å; F315-M412 HydrophobicContact CE1-CG 3.52Å; F315-M412 HydrophobicContact CZ-CB 4.22Å; F315-M412 HydrophobicContact CZ-CG 3.69Å; R345-M412 HydrophobicContact CB-CE 3.9Å; R345-M412 HydrophobicContact CB-SD 3.94Å; L346-M412 HydrophobicContact CD2-CB 4.15Å; L346-M412 HydrophobicContact CD2-CG 3.73Å; L346-M412 HydrophobicContact CD2-SD 3.74Å; L346-M412 HydrophobicContact CG-SD 3.99Å; H408-M412 WeakPolarHBondContact O-CB 3.43Å; H408-M412 VanDerWaalsContact O-CG 3.31Å; H408-M412 WeakPolarHBondContact O-CG 3.22Å; H408-M412 PolarHBondContact O-N 3.13Å; V410-M412 VanDerWaalsContact C-N 3.33Å; V410-M412 PolarHBondContact O-N 3.39Å; M412-S415 PolarHBondContact O-N 3Å; M412-L416 WeakPolarHBondContact O-CB 3.42Å; M412-L416 WeakPolarHBondContact O-CG 3.37Å; M412-L416 PolarHBondContact O-N 3.14Å |
| 413 | H | 94 | Very high | 90.3 | Very high | 16 Ų | 16 | 43 Ų | 43 | 7% | 0.074 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.8 | -55.8 | 169.1 | 173.4 | -92.9 | 0 | 0 | 0 | 110.7 | L68 F71 L72 Y409 V410 S415 L416 L417 | L68-H413 WeakPolarHBondContact CD2-O 3.34Å; L68-H413 PolarHBondContact O-CD2 3.27Å; F71-H413 HydrophobicContact CB-CB 4.15Å; F71-H413 HydrophobicContact CD2-CB 4.28Å; L72-H413 HydrophobicContact CD2-CB 4.48Å; Y409-H413 VanDerWaalsContact O-CB 3.3Å; Y409-H413 WeakPolarHBondContact O-CB 3.03Å; Y409-H413 PolarHBondContact O-N 3.38Å; V410-H413 WeakPolarHBondContact O-CB 3.44Å; V410-H413 PolarHBondContact O-N 3.36Å; H413-S415 VanDerWaalsContact C-N 3.35Å; H413-S415 PolarHBondContact O-N 3.04Å; H413-L416 PolarHBondContact O-N 3.09Å; H413-L417 WeakPolarHBondContact O-CB 3.28Å; H413-L417 PolarHBondContact O-N 3.34Å |
| 414 | E | 92.4 | Very high | 89.5 | Confident | 114 Ų | 114 | 39.2 Ų | 39.2 | 53% | 0.533 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.2 | -43.8 | 178.2 | -70.4 | -177.9 | 171.8 | 0 | 0 | 112.5 | V410 C418 | V410-E414 WeakPolarHBondContact O-CG 3.16Å; V410-E414 PolarHBondContact O-N 3.38Å; E414-C418 WeakPolarHBondContact O-CB 3.16Å; E414-C418 PolarHBondContact O-N 3.19Å |
| 415 | S | 91.3 | Very high | 88.8 | Confident | 10 Ų | 10 | 47.9 Ų | 47.9 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63 | -48.5 | -179.5 | -65.5 | 0 | 0 | 0 | 0 | 111.9 | R345 L411 M412 H413 E419 | R345-S415 PolarHBondContact NH1-OG 3.38Å; L411-S415 VanDerWaalsContact O-CB 3.25Å; L411-S415 WeakPolarHBondContact O-CB 3.34Å; L411-S415 PolarHBondContact O-N 3.35Å; L411-S415 PolarHBondContact O-OG 3.01Å; M412-S415 PolarHBondContact O-N 3Å; H413-S415 VanDerWaalsContact C-N 3.35Å; H413-S415 PolarHBondContact O-N 3.04Å; S415-E419 WeakPolarHBondContact O-CG 3.44Å; S415-E419 PolarHBondContact O-N 3.08Å |
| 416 | L | 88.9 | Confident | 87.9 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 179.4 | -75.4 | 173.1 | 0 | 0 | 0 | 112 | L64 V67 L68 F71 W321 V322 L342 M412 H413 T420 | L64-L416 HydrophobicContact CD1-CB 4.21Å; L64-L416 HydrophobicContact CD1-CD1 4.22Å; L64-L416 HydrophobicContact CD1-CD2 4.46Å; V67-L416 HydrophobicContact CG1-CD1 4.28Å; L68-L416 HydrophobicContact CD2-CB 3.81Å; L68-L416 HydrophobicContact CD2-CD1 4.46Å; F71-L416 HydrophobicContact CE2-CD1 3.77Å; W321-L416 HydrophobicContact CE3-CD2 4.38Å; W321-L416 HydrophobicContact CZ3-CD2 4.11Å; V322-L416 HydrophobicContact CG2-CD2 3.95Å; L342-L416 HydrophobicContact CD1-CD2 4.13Å; L342-L416 HydrophobicContact CD2-CD2 4.32Å; M412-L416 WeakPolarHBondContact O-CB 3.42Å; M412-L416 WeakPolarHBondContact O-CG 3.37Å; M412-L416 PolarHBondContact O-N 3.14Å; H413-L416 PolarHBondContact O-N 3.09Å; L416-T420 VanDerWaalsContact O-CB 3.27Å; L416-T420 WeakPolarHBondContact O-CB 2.77Å; L416-T420 PolarHBondContact O-N 2.93Å; L416-T420 PolarHBondContact O-OG1 2.9Å |
| 417 | L | 87.4 | Confident | 86.6 | Confident | 22 Ų | 22 | 50.5 Ų | 50.5 | 12% | 0.115 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 178.7 | -177.2 | 61 | 0 | 0 | 0 | 111.9 | L68 H413 K421 F435 | L68-L417 HydrophobicContact CD1-CD1 4.11Å; L68-L417 HydrophobicContact CD2-CB 4.35Å; H413-L417 WeakPolarHBondContact O-CB 3.28Å; H413-L417 PolarHBondContact O-N 3.34Å; L417-K421 HydrophobicContact CD1-CD 3.97Å; L417-K421 VanDerWaalsContact CD1-CE 3.46Å; L417-K421 HydrophobicContact CD1-CG 4.35Å; L417-K421 HydrophobicContact CG-CD 4.09Å; L417-K421 WeakPolarHBondContact O-CB 3.3Å; L417-K421 WeakPolarHBondContact O-CG 3.3Å; L417-K421 PolarHBondContact O-N 2.86Å; L417-F435 HydrophobicContact CD1-CB 3.67Å; L417-F435 HydrophobicContact CD1-CD1 3.67Å; L417-F435 HydrophobicContact CD1-CG 3.73Å |
| 418 | C | 86.8 | Confident | 85.4 | Confident | 74 Ų | 74 | 52.8 Ų | 52.8 | 50% | 0.5 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.8 | -48.8 | -178.4 | -174 | 0 | 0 | 0 | 0 | 112.4 | E414 T420 K421 T422 | E414-C418 WeakPolarHBondContact O-CB 3.16Å; E414-C418 PolarHBondContact O-N 3.19Å; C418-T420 VanDerWaalsContact C-N 3.34Å; C418-T420 PolarHBondContact O-N 2.79Å; C418-K421 PolarHBondContact O-N 3.37Å; C418-T422 WeakPolarHBondContact O-CB 3.49Å; C418-T422 PolarHBondContact O-N 3.12Å; C418-T422 PolarHBondContact O-OG1 2.84Å |
| 419 | E | 82.3 | Confident | 83.9 | Confident | 64 Ų | 64 | 52.9 Ų | 52.9 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67 | -35.7 | 179.4 | -64.8 | -67 | 167.8 | 0 | 0 | 111.4 | A338 L342 S415 T422 F423 | A338-E419 WeakPolarHBondContact CB-OE2 3.31Å; L342-E419 HydrophobicContact CD1-CB 3.72Å; L342-E419 HydrophobicContact CD1-CG 3.78Å; L342-E419 HydrophobicContact CD2-CG 4.16Å; L342-E419 HydrophobicContact CG-CG 4.08Å; S415-E419 WeakPolarHBondContact O-CG 3.44Å; S415-E419 PolarHBondContact O-N 3.08Å; E419-T422 WeakPolarHBondContact O-CB 3.46Å; E419-T422 PolarHBondContact O-N 3.1Å; E419-F423 PolarHBondContact O-N 3Å |
| 420 | T | 80.6 | Confident | 82.3 | Confident | 6 Ų | 6 | 62.4 Ų | 62.4 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.9 | -46.3 | 176.2 | -55 | 0 | 0 | 0 | 0 | 111.9 | L64 L416 C418 T422 F423 L424 F435 | L64-T420 HydrophobicContact CD2-CG2 3.58Å; L64-T420 WeakPolarHBondContact CD2-OG1 3.27Å; L416-T420 VanDerWaalsContact O-CB 3.27Å; L416-T420 WeakPolarHBondContact O-CB 2.77Å; L416-T420 PolarHBondContact O-N 2.93Å; L416-T420 PolarHBondContact O-OG1 2.9Å; C418-T420 VanDerWaalsContact C-N 3.34Å; C418-T420 PolarHBondContact O-N 2.79Å; T420-T422 PolarHBondContact O-N 2.96Å; T420-F423 PolarHBondContact O-N 3.03Å; T420-F423 VanDerWaalsContact O-N 3.15Å; T420-L424 HydrophobicContact CG2-CD1 3.99Å; T420-L424 HydrophobicContact CG2-CG 4.27Å; T420-L424 VanDerWaalsContact O-CG 3.31Å; T420-L424 WeakPolarHBondContact O-CG 3.36Å; T420-L424 PolarHBondContact O-N 2.96Å; T420-F435 HydrophobicContact CG2-CE1 4.24Å; T420-F435 HydrophobicContact CG2-CZ 3.84Å |
| 421 | K | 82 | Confident | 80.6 | Confident | 95 Ų | 95 | 61.9 Ų | 61.9 | 41% | 0.413 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58 | -35.6 | 173.8 | -78.1 | 175 | 174.5 | 165.6 | 0 | 111.5 | L417 C418 R425 F435 | L417-K421 HydrophobicContact CD1-CD 3.97Å; L417-K421 VanDerWaalsContact CD1-CE 3.46Å; L417-K421 HydrophobicContact CD1-CG 4.35Å; L417-K421 HydrophobicContact CG-CD 4.09Å; L417-K421 WeakPolarHBondContact O-CB 3.3Å; L417-K421 WeakPolarHBondContact O-CG 3.3Å; L417-K421 PolarHBondContact O-N 2.86Å; C418-K421 PolarHBondContact O-N 3.37Å; K421-R425 WeakPolarHBondContact O-CB 3.38Å; K421-R425 PolarHBondContact O-N 3.44Å; K421-F435 HydrophobicContact CG-CD2 4.32Å |
| 422 | T | 80 | Confident | 78.5 | Confident | 55 Ų | 55 | 65.3 Ų | 65.3 | 34% | 0.337 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.7 | -48.5 | 174 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | C418 E419 T420 L424 R425 E426 | C418-T422 WeakPolarHBondContact O-CB 3.49Å; C418-T422 PolarHBondContact O-N 3.12Å; C418-T422 PolarHBondContact O-OG1 2.84Å; E419-T422 WeakPolarHBondContact O-CB 3.46Å; E419-T422 PolarHBondContact O-N 3.1Å; T420-T422 PolarHBondContact O-N 2.96Å; T422-L424 PolarHBondContact O-N 2.98Å; T422-R425 PolarHBondContact O-N 3.26Å; T422-E426 WeakPolarHBondContact O-CB 3.49Å; T422-E426 WeakPolarHBondContact O-CG 3.34Å; T422-E426 PolarHBondContact O-N 3.45Å; T422-E426 VanDerWaalsContact O-N 3.09Å |
| 423 | F | 78 | Confident | 76.7 | Confident | 6 Ų | 6 | 71 Ų | 71 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57 | -47.4 | 176.2 | 170.7 | -95.4 | 0 | 0 | 0 | 112.7 | F325 L329 Y335 E419 T420 E426 N427 I429 | F325-F423 HydrophobicContact CE1-CD1 4.37Å; F325-F423 HydrophobicContact CE1-CG 4.48Å; F325-F423 HydrophobicContact CE2-CE1 4.46Å; F325-F423 AromaticContact CZ-CD1 3.84Å; F325-F423 HydrophobicContact CZ-CD1 3.84Å; F325-F423 AromaticContact CZ-CE1 3.63Å; F325-F423 HydrophobicContact CZ-CE1 3.63Å; F325-F423 HydrophobicContact CZ-CE2 4.44Å; F325-F423 HydrophobicContact CZ-CG 4.34Å; F325-F423 AromaticContact CZ-CZ 3.97Å; F325-F423 HydrophobicContact CZ-CZ 3.97Å; L329-F423 HydrophobicContact CD1-CD2 4.11Å; L329-F423 HydrophobicContact CD1-CE2 3.67Å; L329-F423 HydrophobicContact CD1-CZ 4.27Å; L329-F423 HydrophobicContact CD2-CE2 3.59Å; L329-F423 HydrophobicContact CD2-CZ 3.53Å; L329-F423 HydrophobicContact CG-CE2 4.3Å; Y335-F423 HydrophobicContact CD1-CB 4.36Å; Y335-F423 AromaticContact CD1-CD2 3.81Å; Y335-F423 HydrophobicContact CD1-CD2 3.81Å; Y335-F423 AromaticContact CD2-CD2 3.59Å; Y335-F423 HydrophobicContact CD2-CD2 3.59Å; Y335-F423 AromaticContact CD2-CE2 3.74Å; Y335-F423 HydrophobicContact CD2-CE2 3.74Å; Y335-F423 HydrophobicContact CE1-CB 4.43Å; Y335-F423 HydrophobicContact CE1-CD2 4.01Å; Y335-F423 AromaticContact CE2-CD2 3.79Å; Y335-F423 HydrophobicContact CE2-CD2 3.79Å; Y335-F423 AromaticContact CE2-CE2 3.93Å; Y335-F423 HydrophobicContact CE2-CE2 3.93Å; Y335-F423 AromaticContact CG-CD2 3.61Å; Y335-F423 HydrophobicContact CG-CD2 3.61Å; Y335-F423 HydrophobicContact CG-CE2 4.19Å; E419-F423 PolarHBondContact O-N 3Å; T420-F423 PolarHBondContact O-N 3.03Å; T420-F423 VanDerWaalsContact O-N 3.15Å; F423-E426 PolarHBondContact O-N 2.99Å; F423-N427 WeakPolarHBondContact CD2-ND2 3.43Å; F423-N427 WeakPolarHBondContact CE2-ND2 3.49Å; F423-N427 PolarHBondContact O-N 2.88Å; F423-N427 PolarHBondContact O-ND2 2.93Å; F423-I429 HydrophobicContact CD1-CD1 4.24Å; F423-I429 HydrophobicContact CE1-CD1 3.44Å; F423-I429 VanDerWaalsContact CE1-CD1 3.44Å; F423-I429 HydrophobicContact CZ-CD1 3.95Å |
| 424 | L | 77.1 | Confident | 74.9 | Confident | 12 Ų | 12 | 75.8 Ų | 75.8 | 6% | 0.063 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.4 | -46.5 | -177.3 | -66.3 | 170.7 | 0 | 0 | 0 | 111.7 | I61 T420 T422 E426 N427 D428 I429 V431 F435 | I61-L424 HydrophobicContact CD1-CD2 3.91Å; T420-L424 HydrophobicContact CG2-CD1 3.99Å; T420-L424 HydrophobicContact CG2-CG 4.27Å; T420-L424 VanDerWaalsContact O-CG 3.31Å; T420-L424 WeakPolarHBondContact O-CG 3.36Å; T420-L424 PolarHBondContact O-N 2.96Å; T422-L424 PolarHBondContact O-N 2.98Å; L424-E426 VanDerWaalsContact C-N 3.33Å; L424-E426 PolarHBondContact O-N 3Å; L424-N427 PolarHBondContact O-N 2.99Å; L424-D428 PolarHBondContact O-N 3.24Å; L424-I429 HydrophobicContact CB-CB 4.46Å; L424-I429 HydrophobicContact CD2-CB 3.72Å; L424-I429 HydrophobicContact CD2-CD1 3.97Å; L424-I429 HydrophobicContact CD2-CG1 4.48Å; L424-I429 HydrophobicContact CD2-CG2 3.65Å; L424-I429 PolarHBondContact O-N 3.09Å; L424-V431 HydrophobicContact CD1-CG2 3.7Å; L424-V431 HydrophobicContact CD2-CG2 4.05Å; L424-V431 HydrophobicContact CG-CG2 4.48Å; L424-F435 HydrophobicContact CD1-CE2 3.41Å; L424-F435 VanDerWaalsContact CD1-CE2 3.41Å; L424-F435 HydrophobicContact CD1-CZ 3.57Å |
| 425 | R | 79.7 | Confident | 73.3 | Confident | 211 Ų | 211 | 71.9 Ų | 71.9 | 80% | 0.796 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.3 | -42.2 | 176.9 | -177.9 | -177.4 | -69.2 | -172.9 | -2.1 | 112.1 | K421 T422 N427 | K421-R425 WeakPolarHBondContact O-CB 3.38Å; K421-R425 PolarHBondContact O-N 3.44Å; T422-R425 PolarHBondContact O-N 3.26Å; R425-N427 VanDerWaalsContact C-N 3.28Å; R425-N427 PolarHBondContact O-N 2.86Å |
| 426 | E | 76.8 | Confident | 71.5 | Confident | 87 Ų | 87 | 75.3 Ų | 75.3 | 41% | 0.407 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -1.8 | -177.7 | -68.1 | -172.2 | 169.3 | 0 | 0 | 114.4 | K334 Y335 T422 F423 L424 | K334-E426 WeakPolarHBondContact CE-OE2 3.13Å; K334-E426 IonicContact NZ-OE1 2.91Å; K334-E426 PolarHBondContact NZ-OE1 2.8Å; K334-E426 IonicContact NZ-OE2 2.75Å; K334-E426 PolarHBondContact NZ-OE2 2.99Å; Y335-E426 HydrophobicContact CE1-CB 4.42Å; Y335-E426 VanDerWaalsContact CE1-OE2 3.28Å; Y335-E426 WeakPolarHBondContact CE1-OE2 3.49Å; Y335-E426 WeakPolarHBondContact OH-CB 3.1Å; Y335-E426 PolarHBondContact OH-OE2 2.92Å; T422-E426 WeakPolarHBondContact O-CB 3.49Å; T422-E426 WeakPolarHBondContact O-CG 3.34Å; T422-E426 PolarHBondContact O-N 3.45Å; T422-E426 VanDerWaalsContact O-N 3.09Å; F423-E426 PolarHBondContact O-N 2.99Å; L424-E426 VanDerWaalsContact C-N 3.33Å; L424-E426 PolarHBondContact O-N 3Å |
| 427 | N | 68.2 | Low | 70.6 | Confident | 33 Ų | 33 | 79.1 Ų | 79.1 | 18% | 0.176 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 11.9 | 174.2 | -67.1 | -96.5 | 0 | 0 | 0 | 113 | R49 Y335 F423 L424 R425 I429 | R49-N427 PolarHBondContact NH2-OD1 2.87Å; Y335-N427 VanDerWaalsContact CE2-ND2 3.33Å; Y335-N427 WeakPolarHBondContact CE2-ND2 3.27Å; Y335-N427 VanDerWaalsContact CZ-ND2 3.33Å; Y335-N427 PolarHBondContact OH-ND2 2.82Å; Y335-N427 VanDerWaalsContact OH-ND2 3.11Å; F423-N427 WeakPolarHBondContact CD2-ND2 3.43Å; F423-N427 WeakPolarHBondContact CE2-ND2 3.49Å; F423-N427 PolarHBondContact O-N 2.88Å; F423-N427 PolarHBondContact O-ND2 2.93Å; L424-N427 PolarHBondContact O-N 2.99Å; R425-N427 VanDerWaalsContact C-N 3.28Å; R425-N427 PolarHBondContact O-N 2.86Å; N427-I429 HydrophobicContact CB-CD1 3.66Å; N427-I429 HydrophobicContact CB-CG1 3.84Å; N427-I429 PolarHBondContact O-N 2.71Å |
| 428 | D | 71.1 | Confident | 69.8 | Low | 130 Ų | 130 | 82.1 Ų | 82.1 | 70% | 0.695 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 34.7 | -176.4 | -62.9 | -49.1 | 0 | 0 | 0 | 114.2 | L424 | L424-D428 PolarHBondContact O-N 3.24Š|
| 429 | I | 65 | Low | 68.8 | Low | 28 Ų | 28 | 82.5 Ų | 82.5 | 14% | 0.144 | 41% | 0.406 | C | S | . | . | trans | -91.8 | 108 | -179.7 | -53.3 | 162.6 | 0 | 0 | 0 | 108.8 | V53 F423 L424 N427 | V53-I429 HydrophobicContact CG1-CD1 3.28Å; V53-I429 HydrophobicContact CG1-CG1 3.78Å; F423-I429 HydrophobicContact CD1-CD1 4.24Å; F423-I429 HydrophobicContact CE1-CD1 3.44Å; F423-I429 VanDerWaalsContact CE1-CD1 3.44Å; F423-I429 HydrophobicContact CZ-CD1 3.95Å; L424-I429 HydrophobicContact CB-CB 4.46Å; L424-I429 HydrophobicContact CD2-CB 3.72Å; L424-I429 HydrophobicContact CD2-CD1 3.97Å; L424-I429 HydrophobicContact CD2-CG1 4.48Å; L424-I429 HydrophobicContact CD2-CG2 3.65Å; L424-I429 PolarHBondContact O-N 3.09Å; N427-I429 HydrophobicContact CB-CD1 3.66Å; N427-I429 HydrophobicContact CB-CG1 3.84Å; N427-I429 PolarHBondContact O-N 2.71Å | ||
| 430 | Y | 63.4 | Low | 68 | Low | 201 Ų | 201 | 83.6 Ų | 83.6 | 79% | 0.788 | 41% | 0.412 | S | S | * | . | trans | -91.1 | 120.6 | 172.3 | -69.1 | -92.9 | 0 | 0 | 0 | 109.5 | ||||
| 431 | V | 59.3 | Low | 67.2 | Low | 46 Ų | 46 | 88.4 Ų | 88.4 | 28% | 0.279 | 44% | 0.436 | S | S | . | . | trans | -96.1 | 129.1 | 175.6 | -166 | 0 | 0 | 0 | 0 | 107.4 | I61 L424 E433 | I61-V431 HydrophobicContact CD1-CG1 4.27Å; I61-V431 HydrophobicContact CD1-CG2 3.61Å; I61-V431 HydrophobicContact CG2-CG1 4.02Å; L424-V431 HydrophobicContact CD1-CG2 3.7Å; L424-V431 HydrophobicContact CD2-CG2 4.05Å; L424-V431 HydrophobicContact CG-CG2 4.48Å; V431-E433 VanDerWaalsContact C-N 3.28Å; V431-E433 PolarHBondContact O-N 3Å | ||
| 432 | N | 50.8 | Low | 66.3 | Low | 156 Ų | 156 | 88 Ų | 88 | 83% | 0.834 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -72.3 | -23.1 | -178.5 | -68.2 | -41.1 | 0 | 0 | 0 | 113 | ||
| 433 | E | 56.5 | Low | 65.3 | Low | 123 Ų | 123 | 90.4 Ų | 90.4 | 58% | 0.575 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -89.7 | 130.2 | 172.6 | -68.5 | -176.4 | 167.6 | 0 | 0 | 110.9 | V431 | V431-E433 VanDerWaalsContact C-N 3.28Å; V431-E433 PolarHBondContact O-N 3Å |
| 434 | P | 55.4 | Low | 64.3 | Low | 118 Ų | 118 | 96.8 Ų | 96.8 | 77% | 0.766 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 137.4 | 170 | 29.3 | -32.8 | 0 | 0 | 0 | 110 | ||
| 435 | F | 57.9 | Low | 63.2 | Low | 32 Ų | 32 | 103.9 Ų | 103.9 | 14% | 0.14 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 144.2 | 162.5 | -71.2 | -85.3 | 0 | 0 | 0 | 109.8 | I61 L64 N65 L68 L417 T420 K421 L424 | I61-F435 HydrophobicContact CG2-CE1 4.12Å; I61-F435 HydrophobicContact CG2-CZ 3.9Å; L64-F435 HydrophobicContact CD2-CE1 4.17Å; N65-F435 WeakPolarHBondContact OD1-CD1 3.4Å; N65-F435 VanDerWaalsContact OD1-CE1 3.24Å; N65-F435 WeakPolarHBondContact OD1-CE1 3.02Å; L68-F435 HydrophobicContact CD1-CD1 4.04Å; L68-F435 HydrophobicContact CD1-CE1 4.39Å; L417-F435 HydrophobicContact CD1-CB 3.67Å; L417-F435 HydrophobicContact CD1-CD1 3.67Å; L417-F435 HydrophobicContact CD1-CG 3.73Å; T420-F435 HydrophobicContact CG2-CE1 4.24Å; T420-F435 HydrophobicContact CG2-CZ 3.84Å; K421-F435 HydrophobicContact CG-CD2 4.32Å; L424-F435 HydrophobicContact CD1-CE2 3.41Å; L424-F435 VanDerWaalsContact CD1-CE2 3.41Å; L424-F435 HydrophobicContact CD1-CZ 3.57Å |
| 436 | P | 54.6 | Low | 61.7 | Low | 82 Ų | 82 | 94.2 Ų | 94.2 | 53% | 0.532 | 49% | 0.485 | S | S | . | . | trans | -63 | 0 | 170.3 | 30.3 | -35.7 | 0 | 0 | 0 | 112.8 | Q69 | Q69-P436 HydrophobicContact CG-CG 4.35Š|
Retrieved 436 of 436 residues in 1003.6 ms
(Link to these results)