| 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 | 50.8 | Low | 55.6 | Low | 215 Ų | 215 | 168.6 Ų | 168.6 | 100% | 1.059 | 79% | 0.787 | S | S | * | * | 0 | -37.1 | 0 | -127.9 | 176.8 | -86.3 | 0 | 0 | 114.5 | S3 M4 | M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.49Å; M1-M4 PolarHBondContact O-N 3.1Å | |||
| 2 | K | 52.4 | Low | 55.1 | Low | 193 Ų | 193 | 165.5 Ų | 165.5 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | H | α-helix | trans | -65.5 | -20.2 | 179 | -73.5 | -175.9 | 180 | -177 | 0 | 116.5 | ||
| 3 | S | 59.7 | Low | 54.6 | Low | 89 Ų | 89 | 160.2 Ų | 160.2 | 62% | 0.622 | 79% | 0.792 | S | S | * | * | H | α-helix | trans | -81.7 | -22.1 | 179.5 | 53.9 | 0 | 0 | 0 | 0 | 114 | M1 | M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.49Å |
| 4 | M | 58.7 | Low | 54 | Low | 157 Ų | 157 | 160.6 Ų | 160.6 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | H | α-helix | trans | -78.9 | -33.4 | 179.4 | -160.6 | 175.2 | -82.4 | 0 | 0 | 111.1 | M1 R6 | M1-M4 PolarHBondContact O-N 3.1Å; M4-R6 VanDerWaalsContact C-N 3.33Å; M4-R6 PolarHBondContact O-N 3.33Å |
| 5 | F | 58.4 | Low | 54.2 | Low | 161 Ų | 161 | 158 Ų | 158 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | H | α-helix | trans | -71 | -26 | 179.6 | -146.8 | -98.8 | 0 | 0 | 0 | 113.6 | R7 | F5-R7 VanDerWaalsContact C-N 3.31Å; F5-R7 PolarHBondContact O-N 2.89Å |
| 6 | R | 57.1 | Low | 54.5 | Low | 207 Ų | 207 | 155.3 Ų | 155.3 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -17.5 | -177.6 | -148.1 | 180 | -73.6 | -126.9 | 3.4 | 113.4 | M4 | M4-R6 VanDerWaalsContact C-N 3.33Å; M4-R6 PolarHBondContact O-N 3.33Å |
| 7 | R | 56.1 | Low | 55 | Low | 214 Ų | 214 | 153.2 Ų | 153.2 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -15.6 | 178.2 | -88.4 | -170.9 | -100.9 | -158.1 | -4.3 | 114.4 | F5 | F5-R7 VanDerWaalsContact C-N 3.31Å; F5-R7 PolarHBondContact O-N 2.89Å |
| 8 | L | 54.9 | Low | 55.3 | Low | 155 Ų | 155 | 147 Ų | 147 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -84.4 | -15.3 | -178.4 | -136.7 | 87.9 | 0 | 0 | 0 | 113.8 | ||
| 9 | I | 58.8 | Low | 55.6 | Low | 132 Ų | 132 | 144.5 Ų | 144.5 | 68% | 0.677 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -91.1 | -8 | -174.1 | -65.3 | 170.6 | 0 | 0 | 0 | 112.7 | ||
| 10 | S | 51 | Low | 56.1 | Low | 101 Ų | 101 | 145.2 Ų | 145.2 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | -104.6 | 70.4 | 176 | -69.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 11 | R | 54.1 | Low | 56.6 | Low | 231 Ų | 231 | 145.5 Ų | 145.5 | 87% | 0.872 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -128.3 | 121.7 | 148 | -78.5 | -163.3 | 173.8 | -134.2 | -0 | 109.2 | A13 | R11-A13 PolarHBondContact O-N 3.4Š|
| 12 | P | 49.2 | Very low | 57.3 | Low | 131 Ų | 131 | 140.6 Ų | 140.6 | 85% | 0.851 | 71% | 0.709 | S | S | * | * | trans | -68.5 | 117.9 | -169.5 | 27.1 | -33.3 | 0 | 0 | 0 | 110.7 | M14 | P12-M14 PolarHBondContact O-N 2.96Š| ||
| 13 | A | 49.2 | Very low | 58.2 | Low | 96 Ų | 96 | 139.4 Ų | 139.4 | 79% | 0.793 | 70% | 0.699 | S | S | * | * | trans | -79.9 | 90.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | R11 | R11-A13 PolarHBondContact O-N 3.4Š| ||
| 14 | M | 45.3 | Very low | 58.7 | Low | 166 Ų | 166 | 140.9 Ų | 140.9 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | trans | -163.1 | 125.3 | 163.3 | -115.5 | 176.3 | -147.7 | 0 | 0 | 113.1 | P12 | P12-M14 PolarHBondContact O-N 2.96Š| ||
| 15 | T | 57.8 | Low | 59.2 | Low | 122 Ų | 122 | 139.2 Ų | 139.2 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 104.4 | -6.5 | 143.5 | 72.2 | 0 | 0 | 0 | 0 | 123.2 | V17 | T15-V17 PolarHBondContact O-N 3.5Š|
| 16 | N | 58.1 | Low | 59.8 | Low | 115 Ų | 115 | 138.1 Ų | 138.1 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -82.2 | -8.4 | -175 | -139 | -20.2 | 0 | 0 | 0 | 116.2 | ||
| 17 | V | 63.3 | Low | 60.3 | Low | 120 Ų | 120 | 131 Ų | 131 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -77.3 | -33.9 | -180 | -169 | 0 | 0 | 0 | 0 | 111.9 | T15 F21 | T15-V17 PolarHBondContact O-N 3.5Å; V17-F21 PolarHBondContact O-N 3.36Å |
| 18 | G | 61.5 | Low | 61 | Low | 41 Ų | 41 | 128 Ų | 128 | 42% | 0.423 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -68.7 | -37.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F21 L22 | G18-F21 PolarHBondContact O-N 3.44Å; G18-L22 PolarHBondContact O-N 3.49Å |
| 19 | H | 61.2 | Low | 61.5 | Low | 100 Ų | 100 | 123.9 Ų | 123.9 | 46% | 0.463 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -69.3 | -34.8 | -179.4 | -175.9 | -114.4 | 0 | 0 | 0 | 112.5 | R23 | H19-R23 VanDerWaalsContact CE1-CD 3.5Å; H19-R23 WeakPolarHBondContact CE1-CD 3.07Å; H19-R23 PolarHBondContact CE1-NE 3.01Å; H19-R23 VanDerWaalsContact CE1-NE 3.33Å; H19-R23 WeakPolarHBondContact O-CB 3.08Å; H19-R23 WeakPolarHBondContact O-CG 3.29Å; H19-R23 PolarHBondContact O-N 3.18Å |
| 20 | W | 64.4 | Low | 62 | Low | 158 Ų | 158 | 122.9 Ų | 122.9 | 60% | 0.598 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.8 | -40.8 | 172.7 | -86.9 | 90.9 | 0 | 0 | 0 | 112 | R23 F24 | W20-R23 PolarHBondContact O-N 3.19Å; W20-F24 AromaticContact CE3-CD2 3.94Å; W20-F24 HydrophobicContact CE3-CD2 3.94Å; W20-F24 AromaticContact CE3-CE2 3.45Å; W20-F24 HydrophobicContact CE3-CE2 3.45Å; W20-F24 VanDerWaalsContact CE3-CE2 3.45Å; W20-F24 HydrophobicContact CE3-CZ 4.42Å; W20-F24 AromaticContact CZ3-CE2 3.73Å; W20-F24 HydrophobicContact CZ3-CE2 3.73Å; W20-F24 HydrophobicContact CZ3-CZ 4.28Å; W20-F24 WeakPolarHBondContact O-CB 3.43Å; W20-F24 WeakPolarHBondContact O-CD2 3.43Å; W20-F24 PolarHBondContact O-N 3.12Å |
| 21 | F | 66 | Low | 62.6 | Low | 151 Ų | 151 | 124 Ų | 124 | 66% | 0.662 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.8 | -45.4 | 177.9 | -126.9 | -91.9 | 0 | 0 | 0 | 112.2 | V17 G18 F24 H25 | V17-F21 PolarHBondContact O-N 3.36Å; G18-F21 PolarHBondContact O-N 3.44Å; F21-F24 PolarHBondContact O-N 3.43Å; F21-H25 PolarHBondContact O-N 3.01Å |
| 22 | L | 66.6 | Low | 63.1 | Low | 112 Ų | 112 | 116.1 Ų | 116.1 | 59% | 0.586 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.2 | -42.9 | 176.9 | -83.2 | 152.3 | 0 | 0 | 0 | 112.1 | G18 H25 F26 | G18-L22 PolarHBondContact O-N 3.49Å; L22-H25 PolarHBondContact O-N 3.29Å; L22-F26 WeakPolarHBondContact O-CB 3.49Å; L22-F26 PolarHBondContact O-N 3.42Å |
| 23 | R | 71.1 | Confident | 63.9 | Low | 168 Ų | 168 | 116.5 Ų | 116.5 | 63% | 0.634 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64 | -40.9 | 175.9 | -82.8 | -175.7 | 151.8 | -164 | -7 | 112.6 | H19 W20 F26 A27 | H19-R23 VanDerWaalsContact CE1-CD 3.5Å; H19-R23 WeakPolarHBondContact CE1-CD 3.07Å; H19-R23 PolarHBondContact CE1-NE 3.01Å; H19-R23 VanDerWaalsContact CE1-NE 3.33Å; H19-R23 WeakPolarHBondContact O-CB 3.08Å; H19-R23 WeakPolarHBondContact O-CG 3.29Å; H19-R23 PolarHBondContact O-N 3.18Å; W20-R23 PolarHBondContact O-N 3.19Å; R23-F26 PolarHBondContact O-N 3.4Å; R23-A27 WeakPolarHBondContact O-CB 3.09Å; R23-A27 PolarHBondContact O-N 2.98Å |
| 24 | F | 70.9 | Confident | 64.6 | Low | 120 Ų | 120 | 121.9 Ų | 121.9 | 53% | 0.526 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65 | -40.8 | 175.9 | -95.4 | -68.5 | 0 | 0 | 0 | 112.1 | W20 F21 K28 | W20-F24 AromaticContact CE3-CD2 3.94Å; W20-F24 HydrophobicContact CE3-CD2 3.94Å; W20-F24 AromaticContact CE3-CE2 3.45Å; W20-F24 HydrophobicContact CE3-CE2 3.45Å; W20-F24 VanDerWaalsContact CE3-CE2 3.45Å; W20-F24 HydrophobicContact CE3-CZ 4.42Å; W20-F24 AromaticContact CZ3-CE2 3.73Å; W20-F24 HydrophobicContact CZ3-CE2 3.73Å; W20-F24 HydrophobicContact CZ3-CZ 4.28Å; W20-F24 WeakPolarHBondContact O-CB 3.43Å; W20-F24 WeakPolarHBondContact O-CD2 3.43Å; W20-F24 PolarHBondContact O-N 3.12Å; F21-F24 PolarHBondContact O-N 3.43Å; F24-K28 WeakPolarHBondContact O-CG 3.24Å; F24-K28 PolarHBondContact O-N 3.33Å; F24-K28 VanDerWaalsContact O-N 3.13Å |
| 25 | H | 69.3 | Low | 65.7 | Low | 123 Ų | 123 | 117.9 Ų | 117.9 | 57% | 0.569 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.7 | -43.1 | 177.1 | -127.7 | -84.9 | 0 | 0 | 0 | 111.9 | F21 L22 K28 T29 | F21-H25 PolarHBondContact O-N 3.01Å; L22-H25 PolarHBondContact O-N 3.29Å; H25-K28 PolarHBondContact O-N 3.47Å; H25-T29 PolarHBondContact O-N 3.3Å; H25-T29 PolarHBondContact O-OG1 3.12Å; H25-T29 VanDerWaalsContact O-OG1 3.11Å |
| 26 | F | 69.1 | Low | 66.1 | Low | 137 Ų | 137 | 116.3 Ų | 116.3 | 60% | 0.601 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.2 | -40 | 177.2 | -109.8 | -89.6 | 0 | 0 | 0 | 113 | L22 R23 K28 T29 L30 | L22-F26 WeakPolarHBondContact O-CB 3.49Å; L22-F26 PolarHBondContact O-N 3.42Å; R23-F26 PolarHBondContact O-N 3.4Å; F26-K28 VanDerWaalsContact C-N 3.31Å; F26-K28 PolarHBondContact O-N 3.01Å; F26-T29 WeakPolarHBondContact CA-OG1 3.48Å; F26-T29 PolarHBondContact O-N 3.01Å; F26-T29 PolarHBondContact O-OG1 3.33Å; F26-L30 HydrophobicContact CD1-CD1 4.46Å; F26-L30 WeakPolarHBondContact O-CB 3.49Å; F26-L30 PolarHBondContact O-N 3.41Å |
| 27 | A | 68.8 | Low | 66.7 | Low | 58 Ų | 58 | 120.3 Ų | 120.3 | 48% | 0.479 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.3 | -40.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | R23 L31 | R23-A27 WeakPolarHBondContact O-CB 3.09Å; R23-A27 PolarHBondContact O-N 2.98Å; A27-L31 WeakPolarHBondContact O-CB 3.43Å; A27-L31 PolarHBondContact O-N 2.95Å |
| 28 | K | 69.8 | Low | 67 | Low | 152 Ų | 152 | 121.9 Ų | 121.9 | 66% | 0.661 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.9 | -41.6 | 175.7 | -77.6 | -179.3 | 175.3 | 176.4 | 0 | 112.7 | F24 H25 F26 C32 | F24-K28 WeakPolarHBondContact O-CG 3.24Å; F24-K28 PolarHBondContact O-N 3.33Å; F24-K28 VanDerWaalsContact O-N 3.13Å; H25-K28 PolarHBondContact O-N 3.47Å; F26-K28 VanDerWaalsContact C-N 3.31Å; F26-K28 PolarHBondContact O-N 3.01Å; K28-C32 VanDerWaalsContact O-CB 3.31Å; K28-C32 WeakPolarHBondContact O-CB 3.39Å; K28-C32 PolarHBondContact O-N 2.97Å |
| 29 | T | 67.1 | Low | 67.1 | Low | 67 Ų | 67 | 124.3 Ų | 124.3 | 41% | 0.411 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.4 | -39.4 | 178.4 | 44.6 | 0 | 0 | 0 | 0 | 112.5 | H25 F26 C32 M33 | H25-T29 PolarHBondContact O-N 3.3Å; H25-T29 PolarHBondContact O-OG1 3.12Å; H25-T29 VanDerWaalsContact O-OG1 3.11Å; F26-T29 WeakPolarHBondContact CA-OG1 3.48Å; F26-T29 PolarHBondContact O-N 3.01Å; F26-T29 PolarHBondContact O-OG1 3.33Å; T29-C32 PolarHBondContact O-N 2.71Å; T29-M33 PolarHBondContact O-N 2.9Å |
| 30 | L | 68.1 | Low | 67.2 | Low | 111 Ų | 111 | 129.6 Ų | 129.6 | 58% | 0.581 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.6 | -40.6 | 176.1 | -79 | 166 | 0 | 0 | 0 | 112.6 | F26 C32 M33 R34 | F26-L30 HydrophobicContact CD1-CD1 4.46Å; F26-L30 WeakPolarHBondContact O-CB 3.49Å; F26-L30 PolarHBondContact O-N 3.41Å; L30-C32 VanDerWaalsContact C-N 3.31Å; L30-C32 PolarHBondContact O-N 3.02Å; L30-M33 PolarHBondContact O-N 3.28Å; L30-R34 PolarHBondContact O-N 2.94Å; L30-R34 VanDerWaalsContact O-N 3.13Å |
| 31 | L | 64.4 | Low | 67.5 | Low | 125 Ų | 125 | 128 Ų | 128 | 65% | 0.654 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63 | -41 | 175.6 | -153.2 | 91.2 | 0 | 0 | 0 | 110.8 | A27 R34 T35 | A27-L31 WeakPolarHBondContact O-CB 3.43Å; A27-L31 PolarHBondContact O-N 2.95Å; L31-R34 PolarHBondContact O-N 3.37Å; L31-T35 WeakPolarHBondContact O-CG2 3.46Å; L31-T35 PolarHBondContact O-N 2.87Å; L31-T35 VanDerWaalsContact O-N 3.09Å; L31-T35 PolarHBondContact O-OG1 2.98Å |
| 32 | C | 64.2 | Low | 67.6 | Low | 65 Ų | 65 | 123.7 Ų | 123.7 | 44% | 0.439 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.7 | -46.4 | 176.6 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | K28 T29 L30 R34 T35 L36 | K28-C32 VanDerWaalsContact O-CB 3.31Å; K28-C32 WeakPolarHBondContact O-CB 3.39Å; K28-C32 PolarHBondContact O-N 2.97Å; T29-C32 PolarHBondContact O-N 2.71Å; L30-C32 VanDerWaalsContact C-N 3.31Å; L30-C32 PolarHBondContact O-N 3.02Å; C32-R34 VanDerWaalsContact C-N 3.28Å; C32-R34 PolarHBondContact O-N 3.28Å; C32-T35 PolarHBondContact O-N 3.46Å; C32-T35 PolarHBondContact O-OG1 3.31Å; C32-L36 WeakPolarHBondContact O-CB 3.38Å; C32-L36 VanDerWaalsContact O-CG 3.23Å; C32-L36 WeakPolarHBondContact O-CG 3.4Å; C32-L36 PolarHBondContact O-N 3.48Å |
| 33 | M | 66.3 | Low | 67.6 | Low | 139 Ų | 139 | 120.6 Ų | 120.6 | 69% | 0.685 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63 | -35.6 | 178 | -74.1 | -169.3 | 175.9 | 0 | 0 | 112.6 | T29 L30 R37 | T29-M33 PolarHBondContact O-N 2.9Å; L30-M33 PolarHBondContact O-N 3.28Å; M33-R37 PolarHBondContact O-N 3.26Å |
| 34 | R | 64.4 | Low | 67.6 | Low | 210 Ų | 210 | 122.3 Ų | 122.3 | 79% | 0.792 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -72.1 | -38.1 | -179.8 | -173.4 | 169.1 | 158.8 | -180 | -7 | 112.5 | L30 L31 C32 | L30-R34 PolarHBondContact O-N 2.94Å; L30-R34 VanDerWaalsContact O-N 3.13Å; L31-R34 PolarHBondContact O-N 3.37Å; C32-R34 VanDerWaalsContact C-N 3.28Å; C32-R34 PolarHBondContact O-N 3.28Å |
| 35 | T | 68 | Low | 67.6 | Low | 82 Ų | 82 | 124.6 Ų | 124.6 | 50% | 0.503 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70.5 | -38.5 | 175.3 | 54.4 | 0 | 0 | 0 | 0 | 112 | L31 C32 R37 F38 M39 | L31-T35 WeakPolarHBondContact O-CG2 3.46Å; L31-T35 PolarHBondContact O-N 2.87Å; L31-T35 VanDerWaalsContact O-N 3.09Å; L31-T35 PolarHBondContact O-OG1 2.98Å; C32-T35 PolarHBondContact O-N 3.46Å; C32-T35 PolarHBondContact O-OG1 3.31Å; T35-R37 VanDerWaalsContact C-N 3.31Å; T35-R37 PolarHBondContact O-N 3.15Å; T35-F38 PolarHBondContact O-N 3.16Å; T35-M39 WeakPolarHBondContact O-CB 3.44Å; T35-M39 PolarHBondContact O-N 3.08Å |
| 36 | L | 65.7 | Low | 68.1 | Low | 89 Ų | 89 | 128.7 Ų | 128.7 | 47% | 0.466 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.2 | -37.1 | 177.8 | -72 | 172.9 | 0 | 0 | 0 | 112.9 | C32 M39 R40 | C32-L36 WeakPolarHBondContact O-CB 3.38Å; C32-L36 VanDerWaalsContact O-CG 3.23Å; C32-L36 WeakPolarHBondContact O-CG 3.4Å; C32-L36 PolarHBondContact O-N 3.48Å; L36-M39 PolarHBondContact O-N 3.36Å; L36-R40 WeakPolarHBondContact O-CB 3.36Å; L36-R40 PolarHBondContact O-N 3.48Å |
| 37 | R | 70.4 | Confident | 68.8 | Low | 198 Ų | 198 | 127.4 Ų | 127.4 | 75% | 0.747 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66 | -41.6 | 176.4 | -172.6 | -177.1 | -77.2 | -180 | -4 | 111.8 | M33 T35 V41 | M33-R37 PolarHBondContact O-N 3.26Å; T35-R37 VanDerWaalsContact C-N 3.31Å; T35-R37 PolarHBondContact O-N 3.15Å; R37-V41 WeakPolarHBondContact O-CG2 3.34Å; R37-V41 PolarHBondContact O-N 3.06Å |
| 38 | F | 69.2 | Low | 69.4 | Low | 154 Ų | 154 | 128.5 Ų | 128.5 | 68% | 0.675 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.9 | -43.2 | 176.6 | -178.6 | -98 | 0 | 0 | 0 | 111.4 | T35 R40 V41 S42 | T35-F38 PolarHBondContact O-N 3.16Å; F38-R40 VanDerWaalsContact C-N 3.32Å; F38-R40 PolarHBondContact O-N 3.41Å; F38-V41 PolarHBondContact O-N 3.18Å; F38-S42 WeakPolarHBondContact CE1-OG 3.47Å; F38-S42 WeakPolarHBondContact O-CB 3.34Å; F38-S42 PolarHBondContact O-N 3.42Å; F38-S42 PolarHBondContact O-OG 2.97Å |
| 39 | M | 63.3 | Low | 70.2 | Confident | 91 Ų | 91 | 129.4 Ų | 129.4 | 45% | 0.448 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -60.3 | -42.1 | 179.2 | -150.4 | 168.9 | -167.3 | 0 | 0 | 111.3 | T35 L36 V41 I43 | T35-M39 WeakPolarHBondContact O-CB 3.44Å; T35-M39 PolarHBondContact O-N 3.08Å; L36-M39 PolarHBondContact O-N 3.36Å; M39-V41 PolarHBondContact O-N 3.37Å; M39-I43 HydrophobicContact CB-CD1 4.21Å; M39-I43 HydrophobicContact CE-CD1 3.9Å; M39-I43 HydrophobicContact CG-CD1 3.21Å; M39-I43 WeakPolarHBondContact O-CB 3.34Å; M39-I43 WeakPolarHBondContact O-CD1 3.35Å; M39-I43 PolarHBondContact O-N 3.25Å; M39-I43 HydrophobicContact SD-CD1 4.44Å |
| 40 | R | 64.7 | Low | 71.2 | Confident | 212 Ų | 212 | 129.8 Ų | 129.8 | 80% | 0.8 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.6 | -31.8 | -179.8 | -165.5 | -177.1 | -60.7 | 175.3 | -0.2 | 114.3 | L36 F38 | L36-R40 WeakPolarHBondContact O-CB 3.36Å; L36-R40 PolarHBondContact O-N 3.48Å; F38-R40 VanDerWaalsContact C-N 3.32Å; F38-R40 PolarHBondContact O-N 3.41Å |
| 41 | V | 70.4 | Confident | 72.1 | Confident | 125 Ų | 125 | 129.5 Ų | 129.5 | 76% | 0.758 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -95 | -29.1 | -174.5 | 179.5 | 0 | 0 | 0 | 0 | 112.4 | R37 F38 M39 | R37-V41 WeakPolarHBondContact O-CG2 3.34Å; R37-V41 PolarHBondContact O-N 3.06Å; F38-V41 PolarHBondContact O-N 3.18Å; M39-V41 PolarHBondContact O-N 3.37Å |
| 42 | S | 68.6 | Low | 73.3 | Confident | 59 Ų | 59 | 127 Ų | 127 | 41% | 0.413 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -92.9 | -24.1 | -173.9 | 61.4 | 0 | 0 | 0 | 0 | 114.8 | F38 | F38-S42 WeakPolarHBondContact CE1-OG 3.47Å; F38-S42 WeakPolarHBondContact O-CB 3.34Å; F38-S42 PolarHBondContact O-N 3.42Å; F38-S42 PolarHBondContact O-OG 2.97Å |
| 43 | I | 65.7 | Low | 74.7 | Confident | 48 Ų | 48 | 126 Ų | 126 | 25% | 0.246 | 59% | 0.592 | C | S | . | * | trans | -89.5 | 117.8 | -172.6 | -69.4 | 163 | 0 | 0 | 0 | 110.5 | M39 D47 L48 | M39-I43 HydrophobicContact CB-CD1 4.21Å; M39-I43 HydrophobicContact CE-CD1 3.9Å; M39-I43 HydrophobicContact CG-CD1 3.21Å; M39-I43 WeakPolarHBondContact O-CB 3.34Å; M39-I43 WeakPolarHBondContact O-CD1 3.35Å; M39-I43 PolarHBondContact O-N 3.25Å; M39-I43 HydrophobicContact SD-CD1 4.44Å; I43-D47 HydrophobicContact CG2-CB 4.17Å; I43-L48 HydrophobicContact CG2-CB 4.48Å; I43-L48 HydrophobicContact CG2-CD1 4.12Å | ||
| 44 | R | 70.7 | Confident | 75.9 | Confident | 204 Ų | 204 | 124.8 Ų | 124.8 | 77% | 0.77 | 59% | 0.587 | S | S | * | * | trans | -65.3 | 134.4 | 168.6 | -63.3 | 172.1 | 70.9 | 177.8 | 0.9 | 107.8 | W46 D47 | R44-W46 PolarHBondContact O-N 3.36Å; R44-D47 PolarHBondContact O-N 3.05Å | ||
| 45 | H | 70.7 | Confident | 77.3 | Confident | 168 Ų | 168 | 120.7 Ų | 120.7 | 78% | 0.778 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -45.3 | -31.2 | -175.7 | -65.4 | 84.9 | 0 | 0 | 0 | 115.1 | L48 | H45-L48 PolarHBondContact O-N 3.34Š|
| 46 | W | 79.8 | Confident | 78.6 | Confident | 209 Ų | 209 | 119.5 Ų | 119.5 | 79% | 0.792 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -70.3 | -26.5 | 179.2 | -63.9 | 98.1 | 0 | 0 | 0 | 114.8 | R44 L48 | R44-W46 PolarHBondContact O-N 3.36Å; W46-L48 VanDerWaalsContact C-N 3.29Å |
| 47 | D | 84.7 | Confident | 80 | Confident | 109 Ų | 109 | 117.4 Ų | 117.4 | 58% | 0.583 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -85.2 | -6.1 | -179.4 | -166.9 | 31.2 | 0 | 0 | 0 | 112.2 | I43 R44 P50 | I43-D47 HydrophobicContact CG2-CB 4.17Å; R44-D47 PolarHBondContact O-N 3.05Å; D47-P50 WeakPolarHBondContact O-CD 3.46Å |
| 48 | L | 81.9 | Confident | 81.2 | Confident | 82 Ų | 82 | 114.7 Ų | 114.7 | 43% | 0.429 | 57% | 0.571 | S | S | . | * | G | 310 helix | trans | -80.1 | -24.6 | 174.9 | -153 | 81.4 | 0 | 0 | 0 | 112.6 | I43 H45 W46 M51 V52 | I43-L48 HydrophobicContact CG2-CB 4.48Å; I43-L48 HydrophobicContact CG2-CD1 4.12Å; H45-L48 PolarHBondContact O-N 3.34Å; W46-L48 VanDerWaalsContact C-N 3.29Å; L48-M51 WeakPolarHBondContact O-CB 3.49Å; L48-M51 PolarHBondContact O-N 2.76Å; L48-M51 VanDerWaalsContact O-N 3.12Å; L48-V52 HydrophobicContact CD2-CG2 4.19Å; L48-V52 HydrophobicContact CG-CG2 4.23Å; L48-V52 WeakPolarHBondContact O-CG2 3.47Å; L48-V52 PolarHBondContact O-N 3.41Å |
| 49 | W | 85.7 | Confident | 82.4 | Confident | 170 Ų | 170 | 111 Ų | 111 | 64% | 0.644 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -58.1 | -43.8 | -175.3 | -74.7 | 107.5 | 0 | 0 | 0 | 114.3 | M51 V52 G53 | W49-M51 VanDerWaalsContact C-N 3.3Å; W49-M51 PolarHBondContact O-N 3.45Å; W49-V52 PolarHBondContact O-N 2.95Å; W49-G53 PolarHBondContact O-N 3.35Å |
| 50 | P | 89.1 | Confident | 84 | Confident | 75 Ų | 75 | 109.5 Ų | 109.5 | 49% | 0.487 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.2 | -38.4 | 175.6 | -23.4 | 34.5 | 0 | 0 | 0 | 112.5 | D47 G53 L54 | D47-P50 WeakPolarHBondContact O-CD 3.46Å; P50-G53 PolarHBondContact O-N 2.7Å; P50-L54 WeakPolarHBondContact O-CB 3.41Å; P50-L54 VanDerWaalsContact O-CG 3.32Å; P50-L54 WeakPolarHBondContact O-CG 3.5Å; P50-L54 PolarHBondContact O-N 2.79Å |
| 51 | M | 87.2 | Confident | 85.4 | Confident | 106 Ų | 106 | 100.8 Ų | 100.8 | 52% | 0.522 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.5 | -42.9 | 178.9 | -66.5 | -65.9 | 170.5 | 0 | 0 | 111.6 | L48 W49 G53 L54 M55 | L48-M51 WeakPolarHBondContact O-CB 3.49Å; L48-M51 PolarHBondContact O-N 2.76Å; L48-M51 VanDerWaalsContact O-N 3.12Å; W49-M51 VanDerWaalsContact C-N 3.3Å; W49-M51 PolarHBondContact O-N 3.45Å; M51-G53 VanDerWaalsContact C-N 3.34Å; M51-L54 PolarHBondContact O-N 2.97Å; M51-M55 WeakPolarHBondContact O-CG 3.28Å; M51-M55 PolarHBondContact O-N 3.05Å |
| 52 | V | 88.8 | Confident | 86.5 | Confident | 72 Ų | 72 | 97.5 Ų | 97.5 | 44% | 0.436 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 174.9 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | L48 W49 M55 A56 | L48-V52 HydrophobicContact CD2-CG2 4.19Å; L48-V52 HydrophobicContact CG-CG2 4.23Å; L48-V52 WeakPolarHBondContact O-CG2 3.47Å; L48-V52 PolarHBondContact O-N 3.41Å; W49-V52 PolarHBondContact O-N 2.95Å; V52-M55 PolarHBondContact O-N 2.95Å; V52-A56 WeakPolarHBondContact O-CB 3.38Å; V52-A56 PolarHBondContact O-N 3.4Å |
| 53 | G | 93 | Very high | 87.7 | Confident | 44 Ų | 44 | 99.3 Ų | 99.3 | 45% | 0.454 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | W49 P50 M51 A56 G57 | W49-G53 PolarHBondContact O-N 3.35Å; P50-G53 PolarHBondContact O-N 2.7Å; M51-G53 VanDerWaalsContact C-N 3.34Å; G53-A56 PolarHBondContact O-N 2.54Å; G53-G57 PolarHBondContact O-N 2.73Å |
| 54 | L | 93 | Very high | 88.9 | Confident | 113 Ų | 113 | 104 Ų | 104 | 59% | 0.592 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.7 | -42.5 | 174.8 | -75 | 170.7 | 0 | 0 | 0 | 112.1 | P50 M51 G57 F58 | P50-L54 WeakPolarHBondContact O-CB 3.41Å; P50-L54 VanDerWaalsContact O-CG 3.32Å; P50-L54 WeakPolarHBondContact O-CG 3.5Å; P50-L54 PolarHBondContact O-N 2.79Å; M51-L54 PolarHBondContact O-N 2.97Å; L54-G57 PolarHBondContact O-N 3.48Å; L54-F58 WeakPolarHBondContact O-CB 2.89Å; L54-F58 PolarHBondContact O-N 2.97Å |
| 55 | M | 93.1 | Very high | 89.8 | Confident | 125 Ų | 125 | 98.9 Ų | 98.9 | 62% | 0.616 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.4 | -43.2 | 175.4 | -70.3 | -60.5 | 104.7 | 0 | 0 | 111.6 | M51 V52 F58 V59 | M51-M55 WeakPolarHBondContact O-CG 3.28Å; M51-M55 PolarHBondContact O-N 3.05Å; V52-M55 PolarHBondContact O-N 2.95Å; M55-F58 PolarHBondContact O-N 2.9Å; M55-V59 VanDerWaalsContact O-CG2 3.3Å; M55-V59 WeakPolarHBondContact O-CG2 3.43Å; M55-V59 PolarHBondContact O-N 2.88Å |
| 56 | A | 94.3 | Very high | 90.6 | Very high | 57 Ų | 57 | 94 Ų | 94 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V52 G53 F58 V59 A60 | V52-A56 WeakPolarHBondContact O-CB 3.38Å; V52-A56 PolarHBondContact O-N 3.4Å; G53-A56 PolarHBondContact O-N 2.54Å; A56-F58 VanDerWaalsContact C-N 3.34Å; A56-F58 PolarHBondContact O-N 3.14Å; A56-V59 PolarHBondContact O-N 2.91Å; A56-A60 VanDerWaalsContact O-CB 3.25Å; A56-A60 WeakPolarHBondContact O-CB 3.08Å; A56-A60 PolarHBondContact O-N 2.92Å |
| 57 | G | 96.1 | Very high | 90.8 | Very high | 45 Ų | 45 | 88.1 Ų | 88.1 | 46% | 0.464 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G53 L54 G61 | G53-G57 PolarHBondContact O-N 2.73Å; L54-G57 PolarHBondContact O-N 3.48Å; G57-G61 PolarHBondContact O-N 3.3Å |
| 58 | F | 95.1 | Very high | 90.7 | Very high | 140 Ų | 140 | 86.6 Ų | 86.6 | 61% | 0.614 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.3 | -47.8 | 174.9 | -172.3 | -98.4 | 0 | 0 | 0 | 111.6 | L54 M55 A56 A60 G61 T62 | L54-F58 WeakPolarHBondContact O-CB 2.89Å; L54-F58 PolarHBondContact O-N 2.97Å; M55-F58 PolarHBondContact O-N 2.9Å; A56-F58 VanDerWaalsContact C-N 3.34Å; A56-F58 PolarHBondContact O-N 3.14Å; F58-A60 PolarHBondContact O-N 2.59Å; F58-G61 PolarHBondContact O-N 3.27Å; F58-T62 HydrophobicContact CD1-CG2 4.13Å; F58-T62 HydrophobicContact CE1-CG2 3.75Å; F58-T62 HydrophobicContact CZ-CG2 3.98Å; F58-T62 WeakPolarHBondContact O-CG2 3.28Å; F58-T62 PolarHBondContact O-N 2.9Å; F58-T62 PolarHBondContact O-OG1 3.36Å |
| 59 | V | 95.6 | Very high | 90.7 | Very high | 78 Ų | 78 | 85.8 Ų | 85.8 | 47% | 0.473 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 177.3 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | M55 A56 G61 T62 I63 | M55-V59 VanDerWaalsContact O-CG2 3.3Å; M55-V59 WeakPolarHBondContact O-CG2 3.43Å; M55-V59 PolarHBondContact O-N 2.88Å; A56-V59 PolarHBondContact O-N 2.91Å; V59-G61 VanDerWaalsContact C-N 3.34Å; V59-G61 PolarHBondContact O-N 3.07Å; V59-T62 WeakPolarHBondContact CA-OG1 3.5Å; V59-T62 PolarHBondContact O-N 3.07Å; V59-T62 PolarHBondContact O-OG1 3.5Å; V59-I63 HydrophobicContact CG1-CD1 3.74Å; V59-I63 HydrophobicContact CG1-CG1 4.43Å; V59-I63 WeakPolarHBondContact O-CB 3.26Å; V59-I63 WeakPolarHBondContact O-CD1 3.38Å; V59-I63 WeakPolarHBondContact O-CG1 3.02Å; V59-I63 PolarHBondContact O-N 3.42Å |
| 60 | A | 95.9 | Very high | 90.3 | Very high | 58 Ų | 58 | 82.5 Ų | 82.5 | 48% | 0.479 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A56 F58 I63 F64 | A56-A60 VanDerWaalsContact O-CB 3.25Å; A56-A60 WeakPolarHBondContact O-CB 3.08Å; A56-A60 PolarHBondContact O-N 2.92Å; F58-A60 PolarHBondContact O-N 2.59Å; A60-I63 PolarHBondContact O-N 3.1Å; A60-F64 VanDerWaalsContact O-CB 3.31Å; A60-F64 WeakPolarHBondContact O-CB 3.09Å; A60-F64 PolarHBondContact O-N 3.28Å |
| 61 | G | 94.7 | Very high | 89.5 | Confident | 29 Ų | 29 | 82.2 Ų | 82.2 | 30% | 0.299 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G57 F58 V59 F64 I65 | G57-G61 PolarHBondContact O-N 3.3Å; F58-G61 PolarHBondContact O-N 3.27Å; V59-G61 VanDerWaalsContact C-N 3.34Å; V59-G61 PolarHBondContact O-N 3.07Å; G61-F64 PolarHBondContact O-N 3.36Å; G61-I65 WeakPolarHBondContact O-CB 3.35Å; G61-I65 WeakPolarHBondContact O-CD1 2.96Å; G61-I65 WeakPolarHBondContact O-CG1 3.36Å; G61-I65 PolarHBondContact O-N 3.34Å |
| 62 | T | 93.8 | Very high | 88.6 | Confident | 56 Ų | 56 | 80.7 Ų | 80.7 | 34% | 0.344 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.8 | -36.9 | 178.1 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | F58 V59 S66 | F58-T62 HydrophobicContact CD1-CG2 4.13Å; F58-T62 HydrophobicContact CE1-CG2 3.75Å; F58-T62 HydrophobicContact CZ-CG2 3.98Å; F58-T62 WeakPolarHBondContact O-CG2 3.28Å; F58-T62 PolarHBondContact O-N 2.9Å; F58-T62 PolarHBondContact O-OG1 3.36Å; V59-T62 WeakPolarHBondContact CA-OG1 3.5Å; V59-T62 PolarHBondContact O-N 3.07Å; V59-T62 PolarHBondContact O-OG1 3.5Å; T62-S66 VanDerWaalsContact O-CB 3.29Å; T62-S66 WeakPolarHBondContact O-CB 3.27Å; T62-S66 PolarHBondContact O-N 3.33Å; T62-S66 PolarHBondContact O-OG 3.49Å |
| 63 | I | 93.7 | Very high | 87.4 | Confident | 98 Ų | 98 | 83.4 Ų | 83.4 | 50% | 0.503 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.2 | -48.3 | 173.5 | -68.1 | 165.6 | 0 | 0 | 0 | 110 | V59 A60 I65 S66 V67 | V59-I63 HydrophobicContact CG1-CD1 3.74Å; V59-I63 HydrophobicContact CG1-CG1 4.43Å; V59-I63 WeakPolarHBondContact O-CB 3.26Å; V59-I63 WeakPolarHBondContact O-CD1 3.38Å; V59-I63 WeakPolarHBondContact O-CG1 3.02Å; V59-I63 PolarHBondContact O-N 3.42Å; A60-I63 PolarHBondContact O-N 3.1Å; I63-I65 PolarHBondContact O-N 3.36Å; I63-S66 PolarHBondContact O-N 2.72Å; I63-S66 VanDerWaalsContact O-N 3.16Å; I63-V67 HydrophobicContact CG2-CG2 4.3Å; I63-V67 WeakPolarHBondContact O-CG2 3.17Å; I63-V67 PolarHBondContact O-N 2.68Å |
| 64 | F | 90.5 | Very high | 86.1 | Confident | 145 Ų | 145 | 86.1 Ų | 86.1 | 64% | 0.636 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -57.8 | -47 | 178.4 | 179.8 | -99.8 | 0 | 0 | 0 | 112 | A60 G61 S66 V67 Y68 | A60-F64 VanDerWaalsContact O-CB 3.31Å; A60-F64 WeakPolarHBondContact O-CB 3.09Å; A60-F64 PolarHBondContact O-N 3.28Å; G61-F64 PolarHBondContact O-N 3.36Å; F64-S66 VanDerWaalsContact C-N 3.34Å; F64-S66 PolarHBondContact O-N 3.37Å; F64-V67 PolarHBondContact O-N 3.45Å; F64-Y68 WeakPolarHBondContact O-CB 3.19Å; F64-Y68 PolarHBondContact O-N 2.85Å |
| 65 | I | 89.6 | Confident | 84.7 | Confident | 98 Ų | 98 | 81.5 Ų | 81.5 | 50% | 0.503 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 177.1 | -67 | 163 | 0 | 0 | 0 | 110.7 | G61 I63 Y68 N69 | G61-I65 WeakPolarHBondContact O-CB 3.35Å; G61-I65 WeakPolarHBondContact O-CD1 2.96Å; G61-I65 WeakPolarHBondContact O-CG1 3.36Å; G61-I65 PolarHBondContact O-N 3.34Å; I63-I65 PolarHBondContact O-N 3.36Å; I65-Y68 PolarHBondContact O-N 3.21Å; I65-N69 WeakPolarHBondContact CG2-ND2 3.4Å; I65-N69 PolarHBondContact O-N 3.12Å; I65-N69 PolarHBondContact O-ND2 3.33Å |
| 66 | S | 87.7 | Confident | 83.5 | Confident | 66 Ų | 66 | 81.8 Ų | 81.8 | 46% | 0.462 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.8 | -47.8 | 179.1 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | T62 I63 F64 Y68 N69 L70 | T62-S66 VanDerWaalsContact O-CB 3.29Å; T62-S66 WeakPolarHBondContact O-CB 3.27Å; T62-S66 PolarHBondContact O-N 3.33Å; T62-S66 PolarHBondContact O-OG 3.49Å; I63-S66 PolarHBondContact O-N 2.72Å; I63-S66 VanDerWaalsContact O-N 3.16Å; F64-S66 VanDerWaalsContact C-N 3.34Å; F64-S66 PolarHBondContact O-N 3.37Å; S66-Y68 VanDerWaalsContact C-N 3.32Å; S66-Y68 PolarHBondContact O-N 3.25Å; S66-N69 PolarHBondContact O-N 3.47Å; S66-L70 VanDerWaalsContact O-CG 3.32Å; S66-L70 WeakPolarHBondContact O-CG 3.46Å; S66-L70 PolarHBondContact O-N 2.79Å |
| 67 | V | 84 | Confident | 82.2 | Confident | 85 Ų | 85 | 85.2 Ų | 85.2 | 52% | 0.515 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 176.4 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | I63 F64 N69 L70 T71 | I63-V67 HydrophobicContact CG2-CG2 4.3Å; I63-V67 WeakPolarHBondContact O-CG2 3.17Å; I63-V67 PolarHBondContact O-N 2.68Å; F64-V67 PolarHBondContact O-N 3.45Å; V67-N69 VanDerWaalsContact C-N 3.32Å; V67-N69 PolarHBondContact O-N 3.16Å; V67-L70 PolarHBondContact O-N 3.09Å; V67-T71 PolarHBondContact O-N 3Å |
| 68 | Y | 81.7 | Confident | 81 | Confident | 77 Ų | 77 | 84.8 Ų | 84.8 | 30% | 0.302 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 176.5 | -169.7 | -100.7 | 0 | 0 | 0 | 112.4 | F64 I65 S66 T71 T99 | F64-Y68 WeakPolarHBondContact O-CB 3.19Å; F64-Y68 PolarHBondContact O-N 2.85Å; I65-Y68 PolarHBondContact O-N 3.21Å; S66-Y68 VanDerWaalsContact C-N 3.32Å; S66-Y68 PolarHBondContact O-N 3.25Å; Y68-T71 PolarHBondContact O-N 3.38Å; Y68-T71 PolarHBondContact O-OG1 2.91Å; Y68-T99 PolarHBondContact OH-O 2.89Å |
| 69 | N | 81.4 | Confident | 80 | Confident | 64 Ų | 64 | 86.8 Ų | 86.8 | 34% | 0.342 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.9 | -35.1 | 177.9 | -78.9 | -73.6 | 0 | 0 | 0 | 112.8 | I65 S66 V67 T71 K72 Y73 | I65-N69 WeakPolarHBondContact CG2-ND2 3.4Å; I65-N69 PolarHBondContact O-N 3.12Å; I65-N69 PolarHBondContact O-ND2 3.33Å; S66-N69 PolarHBondContact O-N 3.47Å; V67-N69 VanDerWaalsContact C-N 3.32Å; V67-N69 PolarHBondContact O-N 3.16Å; N69-T71 PolarHBondContact O-N 2.56Å; N69-K72 WeakPolarHBondContact O-CA 3.19Å; N69-K72 VanDerWaalsContact O-CB 3.27Å; N69-K72 WeakPolarHBondContact O-CB 3.37Å; N69-K72 PolarHBondContact O-N 3.14Å; N69-Y73 HydrophobicContact CB-CE2 4.28Å; N69-Y73 WeakPolarHBondContact O-CD2 3.39Å; N69-Y73 PolarHBondContact O-N 2.92Å |
| 70 | L | 78.7 | Confident | 79.2 | Confident | 102 Ų | 102 | 89.1 Ų | 89.1 | 53% | 0.534 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.1 | -33.1 | 175.6 | -72.2 | 173.3 | 0 | 0 | 0 | 112.5 | S66 V67 K72 Y73 D74 | S66-L70 VanDerWaalsContact O-CG 3.32Å; S66-L70 WeakPolarHBondContact O-CG 3.46Å; S66-L70 PolarHBondContact O-N 2.79Å; V67-L70 PolarHBondContact O-N 3.09Å; L70-K72 PolarHBondContact O-N 3.07Å; L70-K72 VanDerWaalsContact O-N 3.16Å; L70-Y73 HydrophobicContact CD2-CD2 4.36Å; L70-Y73 PolarHBondContact O-N 2.78Å; L70-D74 PolarHBondContact O-N 2.88Å |
| 71 | T | 72.3 | Confident | 78 | Confident | 69 Ų | 69 | 92.1 Ų | 92.1 | 42% | 0.423 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.7 | -23.3 | 173.6 | 72.4 | 0 | 0 | 0 | 0 | 113.6 | V67 Y68 N69 K94 | V67-T71 PolarHBondContact O-N 3Å; Y68-T71 PolarHBondContact O-N 3.38Å; Y68-T71 PolarHBondContact O-OG1 2.91Å; N69-T71 PolarHBondContact O-N 2.56Å; T71-K94 PolarHBondContact O-NZ 3.33Å |
| 72 | K | 68.2 | Low | 77.2 | Confident | 73 Ų | 73 | 96.7 Ų | 96.7 | 32% | 0.317 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -79.4 | -41.4 | 171.5 | -47.4 | -142.9 | 175 | 170.9 | 0 | 111.4 | N69 L70 D74 V75 Q98 | N69-K72 WeakPolarHBondContact O-CA 3.19Å; N69-K72 VanDerWaalsContact O-CB 3.27Å; N69-K72 WeakPolarHBondContact O-CB 3.37Å; N69-K72 PolarHBondContact O-N 3.14Å; L70-K72 PolarHBondContact O-N 3.07Å; L70-K72 VanDerWaalsContact O-N 3.16Å; K72-D74 VanDerWaalsContact C-N 3.26Å; K72-D74 PolarHBondContact O-N 3.31Å; K72-V75 PolarHBondContact O-N 2.57Å; K72-Q98 VanDerWaalsContact CG-NE2 3.28Å |
| 73 | Y | 62.9 | Low | 76.4 | Confident | 130 Ų | 130 | 96.3 Ų | 96.3 | 51% | 0.51 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.7 | -21.4 | 179.9 | -72.3 | -71.4 | 0 | 0 | 0 | 114 | N69 L70 V75 W76 L77 | N69-Y73 HydrophobicContact CB-CE2 4.28Å; N69-Y73 WeakPolarHBondContact O-CD2 3.39Å; N69-Y73 PolarHBondContact O-N 2.92Å; L70-Y73 HydrophobicContact CD2-CD2 4.36Å; L70-Y73 PolarHBondContact O-N 2.78Å; Y73-V75 PolarHBondContact O-N 3.39Å; Y73-V75 VanDerWaalsContact O-N 3.09Å; Y73-W76 WeakPolarHBondContact O-CA 3.19Å; Y73-W76 WeakPolarHBondContact O-CB 3.38Å; Y73-W76 PolarHBondContact O-N 2.96Å; Y73-L77 PolarHBondContact O-N 2.93Å |
| 74 | D | 65.5 | Low | 75.7 | Confident | 100 Ų | 100 | 93.9 Ų | 93.9 | 54% | 0.535 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -55.2 | -30.2 | 177.1 | -154.2 | 12.7 | 0 | 0 | 0 | 112.2 | L70 K72 W76 D78 | L70-D74 PolarHBondContact O-N 2.88Å; K72-D74 VanDerWaalsContact C-N 3.26Å; K72-D74 PolarHBondContact O-N 3.31Å; D74-W76 VanDerWaalsContact C-N 3.26Å; D74-W76 PolarHBondContact O-N 3.41Å; D74-D78 WeakPolarHBondContact O-CB 3.39Å; D74-D78 PolarHBondContact O-N 3.45Å |
| 75 | V | 63.3 | Low | 74.7 | Confident | 17 Ų | 17 | 87.5 Ų | 87.5 | 10% | 0.103 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.8 | -32.3 | 173.2 | -170.7 | 0 | 0 | 0 | 0 | 112.6 | K72 Y73 F91 K94 | K72-V75 PolarHBondContact O-N 2.57Å; Y73-V75 PolarHBondContact O-N 3.39Å; Y73-V75 VanDerWaalsContact O-N 3.09Å; V75-F91 HydrophobicContact CB-CE1 4.14Å; V75-F91 HydrophobicContact CG1-CD1 4.11Å; V75-F91 HydrophobicContact CG1-CE1 3.53Å; V75-F91 HydrophobicContact CG1-CZ 3.77Å; V75-K94 HydrophobicContact CG2-CD 3.51Å |
| 76 | W | 68.3 | Low | 74.1 | Confident | 130 Ų | 130 | 91.8 Ų | 91.8 | 49% | 0.492 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -88.4 | -32.3 | -177.3 | -67.6 | 88.5 | 0 | 0 | 0 | 113.1 | Y73 D74 P85 F91 | Y73-W76 WeakPolarHBondContact O-CA 3.19Å; Y73-W76 WeakPolarHBondContact O-CB 3.38Å; Y73-W76 PolarHBondContact O-N 2.96Å; D74-W76 VanDerWaalsContact C-N 3.26Å; D74-W76 PolarHBondContact O-N 3.41Å; W76-P85 HydrophobicContact CE3-CB 4.2Å; W76-F91 HydrophobicContact CZ2-CZ 4.11Å |
| 77 | L | 67.7 | Low | 73.5 | Confident | 130 Ų | 130 | 91.3 Ų | 91.3 | 68% | 0.681 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -85.4 | -24.6 | 179.7 | -71 | 172.6 | 0 | 0 | 0 | 112.8 | Y73 R79 | Y73-L77 PolarHBondContact O-N 2.93Å; L77-R79 PolarHBondContact O-N 3.34Å |
| 78 | D | 70.7 | Confident | 73 | Confident | 36 Ų | 36 | 91.2 Ų | 91.2 | 19% | 0.193 | 44% | 0.442 | C | S | . | . | trans | -71.1 | 91.8 | 177.5 | -175.3 | 15.9 | 0 | 0 | 0 | 112 | D74 T80 K81 R90 | D74-D78 WeakPolarHBondContact O-CB 3.39Å; D74-D78 PolarHBondContact O-N 3.45Å; D78-T80 VanDerWaalsContact C-N 3.35Å; D78-T80 WeakPolarHBondContact OD1-CB 3.45Å; D78-T80 WeakPolarHBondContact OD1-CG2 3.32Å; D78-T80 PolarHBondContact OD1-N 3.27Å; D78-T80 VanDerWaalsContact OD1-N 3.11Å; D78-T80 PolarHBondContact OD1-OG1 3.26Å; D78-K81 WeakPolarHBondContact OD2-CE 3.31Å; D78-K81 IonicContact OD2-NZ 3.83Å; D78-R90 PolarHBondContact O-NH1 3.32Å; D78-R90 VanDerWaalsContact O-NH1 3.14Å | ||
| 79 | R | 73.5 | Confident | 72.5 | Confident | 182 Ų | 182 | 90 Ų | 90 | 69% | 0.687 | 45% | 0.445 | S | S | * | . | trans | -85.2 | -1.6 | 174.6 | -61.9 | -60.6 | -177.2 | 179.5 | -2 | 113.7 | L77 K81 | L77-R79 PolarHBondContact O-N 3.34Å; R79-K81 VanDerWaalsContact C-N 3.27Å; R79-K81 PolarHBondContact O-N 2.9Å | ||
| 80 | T | 80 | Confident | 72.1 | Confident | 126 Ų | 126 | 88.7 Ų | 88.7 | 77% | 0.773 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -70.2 | -27.1 | -176 | 66.4 | 0 | 0 | 0 | 0 | 112.8 | D78 | D78-T80 VanDerWaalsContact C-N 3.35Å; D78-T80 WeakPolarHBondContact OD1-CB 3.45Å; D78-T80 WeakPolarHBondContact OD1-CG2 3.32Å; D78-T80 PolarHBondContact OD1-N 3.27Å; D78-T80 VanDerWaalsContact OD1-N 3.11Å; D78-T80 PolarHBondContact OD1-OG1 3.26Å |
| 81 | K | 69.1 | Low | 71.8 | Confident | 121 Ų | 121 | 85.3 Ų | 85.3 | 53% | 0.526 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -84.8 | 136.9 | -178 | -73.7 | 169.8 | -168.3 | 173.7 | 0 | 111.1 | D78 R79 V83 R90 | D78-K81 WeakPolarHBondContact OD2-CE 3.31Å; D78-K81 IonicContact OD2-NZ 3.83Å; R79-K81 VanDerWaalsContact C-N 3.27Å; R79-K81 PolarHBondContact O-N 2.9Å; K81-V83 VanDerWaalsContact C-N 3.26Å; K81-V83 PolarHBondContact O-N 3.25Å; K81-R90 VanDerWaalsContact CB-CZ 3.47Å; K81-R90 PolarHBondContact O-NH2 3.5Å |
| 82 | S | 79.5 | Confident | 71.8 | Confident | 125 Ų | 125 | 85.7 Ų | 85.7 | 87% | 0.874 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -64.9 | -25.8 | -178.1 | 55.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 83 | V | 75.9 | Confident | 71.8 | Confident | 48 Ų | 48 | 87.7 Ų | 87.7 | 29% | 0.291 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -72.1 | 139.9 | -179.4 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | K81 D87 R90 | K81-V83 VanDerWaalsContact C-N 3.26Å; K81-V83 PolarHBondContact O-N 3.25Å; V83-D87 HydrophobicContact CG1-CB 3.37Å; V83-D87 WeakPolarHBondContact CG1-OD2 3.35Å; V83-R90 HydrophobicContact CB-CG 4.26Å; V83-R90 HydrophobicContact CG1-CG 3.88Å; V83-R90 PolarHBondContact O-NE 3.11Å; V83-R90 PolarHBondContact O-NH2 2.89Å |
| 84 | P | 78.8 | Confident | 72 | Confident | 47 Ų | 47 | 84.3 Ų | 84.3 | 31% | 0.305 | 41% | 0.412 | S | S | . | . | trans | -67.3 | 156.1 | 178.5 | 22.4 | -28.5 | 0 | 0 | 0 | 113.3 | W86 D87 R90 | P84-W86 HydrophobicContact CB-CD2 3.69Å; P84-W86 VanDerWaalsContact CB-CE2 3.4Å; P84-W86 HydrophobicContact CB-CE3 3.78Å; P84-W86 HydrophobicContact CB-CH2 3.36Å; P84-W86 HydrophobicContact CB-CZ2 3.25Å; P84-W86 HydrophobicContact CB-CZ3 3.62Å; P84-W86 HydrophobicContact CG-CD2 4.31Å; P84-W86 HydrophobicContact CG-CH2 4.22Å; P84-W86 HydrophobicContact CG-CZ2 3.62Å; P84-W86 PolarHBondContact O-N 3.39Å; P84-D87 HydrophobicContact CG-CB 4.14Å; P84-D87 WeakPolarHBondContact O-CB 3.43Å; P84-D87 PolarHBondContact O-N 3.01Å; P84-D87 VanDerWaalsContact O-N 3.12Å; P84-R90 PolarHBondContact O-NE 3.18Å | ||
| 85 | P | 70.2 | Confident | 71.8 | Confident | 11 Ų | 11 | 85.3 Ų | 85.3 | 7% | 0.071 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -18.2 | -174.6 | 30.2 | -38.9 | 0 | 0 | 0 | 114.2 | W76 F91 | W76-P85 HydrophobicContact CE3-CB 4.2Å; P85-F91 WeakPolarHBondContact O-CE2 3.25Å; P85-F91 WeakPolarHBondContact O-CZ 3.34Å |
| 86 | W | 75.9 | Confident | 71.6 | Confident | 188 Ų | 188 | 90.2 Ų | 90.2 | 71% | 0.712 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -4.7 | 175.8 | 63.3 | 82.4 | 0 | 0 | 0 | 112.9 | P84 W88 | P84-W86 HydrophobicContact CB-CD2 3.69Å; P84-W86 VanDerWaalsContact CB-CE2 3.4Å; P84-W86 HydrophobicContact CB-CE3 3.78Å; P84-W86 HydrophobicContact CB-CH2 3.36Å; P84-W86 HydrophobicContact CB-CZ2 3.25Å; P84-W86 HydrophobicContact CB-CZ3 3.62Å; P84-W86 HydrophobicContact CG-CD2 4.31Å; P84-W86 HydrophobicContact CG-CH2 4.22Å; P84-W86 HydrophobicContact CG-CZ2 3.62Å; P84-W86 PolarHBondContact O-N 3.39Å; W86-W88 PolarHBondContact O-N 3.42Å |
| 87 | D | 76.5 | Confident | 71.2 | Confident | 56 Ų | 56 | 88.5 Ų | 88.5 | 30% | 0.299 | 43% | 0.43 | S | S | . | . | trans | -68.7 | 128.1 | -176.6 | -168.1 | 18.3 | 0 | 0 | 0 | 110.9 | V83 P84 S89 R90 F91 | V83-D87 HydrophobicContact CG1-CB 3.37Å; V83-D87 WeakPolarHBondContact CG1-OD2 3.35Å; P84-D87 HydrophobicContact CG-CB 4.14Å; P84-D87 WeakPolarHBondContact O-CB 3.43Å; P84-D87 PolarHBondContact O-N 3.01Å; P84-D87 VanDerWaalsContact O-N 3.12Å; D87-S89 VanDerWaalsContact CG-OG 3.31Å; D87-S89 PolarHBondContact O-N 3.4Å; D87-S89 WeakPolarHBondContact OD2-CB 3.43Å; D87-S89 PolarHBondContact OD2-OG 2.94Å; D87-R90 PolarHBondContact O-N 3.02Å; D87-F91 WeakPolarHBondContact O-CD2 3.29Å | ||
| 88 | W | 72.5 | Confident | 71.1 | Confident | 83 Ų | 83 | 84.3 Ų | 84.3 | 31% | 0.314 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.3 | -35.3 | -179.2 | 157.3 | -121.4 | 0 | 0 | 0 | 112.1 | W86 R90 F91 R92 Y95 E120 E123 | W86-W88 PolarHBondContact O-N 3.42Å; W88-R90 PolarHBondContact O-N 2.99Å; W88-R90 VanDerWaalsContact O-N 3.14Å; W88-F91 HydrophobicContact CE3-CB 4.23Å; W88-F91 PolarHBondContact O-N 2.9Å; W88-R92 HydrophobicContact CD2-CB 4.36Å; W88-R92 HydrophobicContact CH2-CB 4.04Å; W88-R92 HydrophobicContact CH2-CG 4.02Å; W88-R92 HydrophobicContact CZ2-CB 3.82Å; W88-R92 HydrophobicContact CZ2-CG 3.61Å; W88-R92 HydrophobicContact CZ3-CB 4.39Å; W88-R92 PolarHBondContact O-N 2.88Å; W88-Y95 HydrophobicContact CZ3-CD2 4.34Å; W88-E120 HydrophobicContact CZ2-CG 4.11Å; W88-E123 WeakPolarHBondContact CZ2-OE2 3.39Å; W88-E123 PolarHBondContact NE1-OE2 3.48Å |
| 89 | S | 72.7 | Confident | 70.5 | Confident | 52 Ų | 52 | 85.1 Ų | 85.1 | 36% | 0.364 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -54.7 | -35.8 | 179.6 | 73 | 0 | 0 | 0 | 0 | 113 | D87 | D87-S89 VanDerWaalsContact CG-OG 3.31Å; D87-S89 PolarHBondContact O-N 3.4Å; D87-S89 WeakPolarHBondContact OD2-CB 3.43Å; D87-S89 PolarHBondContact OD2-OG 2.94Å |
| 90 | R | 71.7 | Confident | 69.8 | Low | 37 Ų | 37 | 80.5 Ų | 80.5 | 14% | 0.14 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -70.6 | -32.1 | 176.8 | -72.5 | -175.3 | 171.3 | -138.8 | 11 | 112.9 | D78 K81 V83 P84 D87 W88 | D78-R90 PolarHBondContact O-NH1 3.32Å; D78-R90 VanDerWaalsContact O-NH1 3.14Å; K81-R90 VanDerWaalsContact CB-CZ 3.47Å; K81-R90 PolarHBondContact O-NH2 3.5Å; V83-R90 HydrophobicContact CB-CG 4.26Å; V83-R90 HydrophobicContact CG1-CG 3.88Å; V83-R90 PolarHBondContact O-NE 3.11Å; V83-R90 PolarHBondContact O-NH2 2.89Å; P84-R90 PolarHBondContact O-NE 3.18Å; D87-R90 PolarHBondContact O-N 3.02Å; W88-R90 PolarHBondContact O-N 2.99Å; W88-R90 VanDerWaalsContact O-N 3.14Å |
| 91 | F | 72 | Confident | 68.6 | Low | 30 Ų | 30 | 83.3 Ų | 83.3 | 13% | 0.132 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -86.1 | -31.6 | -174.6 | -74.6 | -70.4 | 0 | 0 | 0 | 112.7 | V75 W76 P85 D87 W88 D93 K94 Y95 | V75-F91 HydrophobicContact CB-CE1 4.14Å; V75-F91 HydrophobicContact CG1-CD1 4.11Å; V75-F91 HydrophobicContact CG1-CE1 3.53Å; V75-F91 HydrophobicContact CG1-CZ 3.77Å; W76-F91 HydrophobicContact CZ2-CZ 4.11Å; P85-F91 WeakPolarHBondContact O-CE2 3.25Å; P85-F91 WeakPolarHBondContact O-CZ 3.34Å; D87-F91 WeakPolarHBondContact O-CD2 3.29Å; W88-F91 HydrophobicContact CE3-CB 4.23Å; W88-F91 PolarHBondContact O-N 2.9Å; F91-D93 PolarHBondContact O-N 2.96Å; F91-K94 PolarHBondContact O-N 2.86Å; F91-K94 VanDerWaalsContact O-N 3.1Å; F91-Y95 HydrophobicContact CB-CD2 3.74Å; F91-Y95 HydrophobicContact CB-CE2 3.64Å; F91-Y95 AromaticContact CD1-CE2 3.88Å; F91-Y95 HydrophobicContact CD1-CE2 3.88Å; F91-Y95 HydrophobicContact CG-CE2 4.01Å; F91-Y95 VanDerWaalsContact O-CD2 3.28Å; F91-Y95 WeakPolarHBondContact O-CD2 3.32Å; F91-Y95 PolarHBondContact O-N 3.22Å |
| 92 | R | 72.2 | Confident | 68.1 | Low | 78 Ų | 78 | 86 Ų | 86 | 29% | 0.294 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -50 | -53 | -176.7 | -170.7 | 171 | 70.6 | 173.2 | 2.6 | 112.8 | W88 K94 D124 | W88-R92 HydrophobicContact CD2-CB 4.36Å; W88-R92 HydrophobicContact CH2-CB 4.04Å; W88-R92 HydrophobicContact CH2-CG 4.02Å; W88-R92 HydrophobicContact CZ2-CB 3.82Å; W88-R92 HydrophobicContact CZ2-CG 3.61Å; W88-R92 HydrophobicContact CZ3-CB 4.39Å; W88-R92 PolarHBondContact O-N 2.88Å; R92-K94 VanDerWaalsContact C-N 3.35Å; R92-K94 PolarHBondContact O-N 3.4Å; R92-D124 IonicContact NH1-OD1 2.73Å; R92-D124 PolarHBondContact NH1-OD1 3.03Å; R92-D124 IonicContact NH1-OD2 3.05Å |
| 93 | D | 68.6 | Low | 67 | Low | 115 Ų | 115 | 82.9 Ų | 82.9 | 62% | 0.615 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -69.3 | -33.1 | -178.3 | -62.7 | -22.1 | 0 | 0 | 0 | 112.8 | F91 T97 | F91-D93 PolarHBondContact O-N 2.96Å; D93-T97 PolarHBondContact O-OG1 3.44Å |
| 94 | K | 67.9 | Low | 66.5 | Low | 59 Ų | 59 | 82.8 Ų | 82.8 | 26% | 0.257 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -77.3 | -37.5 | -177.1 | -159.8 | 175.2 | -176.6 | 175.9 | 0 | 111.8 | T71 V75 F91 R92 R96 T97 Q98 | T71-K94 PolarHBondContact O-NZ 3.33Å; V75-K94 HydrophobicContact CG2-CD 3.51Å; F91-K94 PolarHBondContact O-N 2.86Å; F91-K94 VanDerWaalsContact O-N 3.1Å; R92-K94 VanDerWaalsContact C-N 3.35Å; R92-K94 PolarHBondContact O-N 3.4Å; K94-R96 VanDerWaalsContact C-N 3.28Å; K94-R96 PolarHBondContact O-N 2.7Å; K94-T97 PolarHBondContact O-N 2.92Å; K94-T97 VanDerWaalsContact O-N 3.07Å; K94-T97 PolarHBondContact O-OG1 3.38Å; K94-T97 VanDerWaalsContact O-OG1 3.07Å; K94-Q98 VanDerWaalsContact O-CB 3.26Å; K94-Q98 WeakPolarHBondContact O-CB 3.45Å; K94-Q98 PolarHBondContact O-N 3.16Å |
| 95 | Y | 60.9 | Low | 65.8 | Low | 120 Ų | 120 | 88.8 Ų | 88.8 | 47% | 0.471 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.7 | -34.8 | 178.3 | -85.7 | -63.1 | 0 | 0 | 0 | 112.7 | W88 F91 T97 | W88-Y95 HydrophobicContact CZ3-CD2 4.34Å; F91-Y95 HydrophobicContact CB-CD2 3.74Å; F91-Y95 HydrophobicContact CB-CE2 3.64Å; F91-Y95 AromaticContact CD1-CE2 3.88Å; F91-Y95 HydrophobicContact CD1-CE2 3.88Å; F91-Y95 HydrophobicContact CG-CE2 4.01Å; F91-Y95 VanDerWaalsContact O-CD2 3.28Å; F91-Y95 WeakPolarHBondContact O-CD2 3.32Å; F91-Y95 PolarHBondContact O-N 3.22Å; Y95-T97 PolarHBondContact O-N 3.49Å |
| 96 | R | 59.4 | Low | 65.9 | Low | 120 Ų | 120 | 97 Ų | 97 | 45% | 0.453 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.3 | -30.6 | 173.4 | -113.9 | -172.7 | 177.7 | 96 | 0.6 | 113.4 | K94 Y109 Y112 E120 | K94-R96 VanDerWaalsContact C-N 3.28Å; K94-R96 PolarHBondContact O-N 2.7Å; R96-Y109 WeakPolarHBondContact O-CE1 3.49Å; R96-Y112 HydrophobicContact CG-CD1 4.26Å; R96-Y112 HydrophobicContact CG-CE1 3.84Å; R96-E120 IonicContact CZ-OE2 3.64Å; R96-E120 IonicContact NH1-OE1 3.51Å; R96-E120 PolarHBondContact NH1-OE1 3.31Å; R96-E120 IonicContact NH1-OE2 3.59Å; R96-E120 PolarHBondContact NH1-OE2 3.13Å; R96-E120 IonicContact NH2-OE2 3.48Å |
| 97 | T | 60.5 | Low | 65.6 | Low | 94 Ų | 94 | 94.5 Ų | 94.5 | 58% | 0.577 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -104.9 | -21.5 | -172.1 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | D93 K94 Y95 T99 | D93-T97 PolarHBondContact O-OG1 3.44Å; K94-T97 PolarHBondContact O-N 2.92Å; K94-T97 VanDerWaalsContact O-N 3.07Å; K94-T97 PolarHBondContact O-OG1 3.38Å; K94-T97 VanDerWaalsContact O-OG1 3.07Å; Y95-T97 PolarHBondContact O-N 3.49Å; T97-T99 PolarHBondContact O-N 3.49Å |
| 98 | Q | 64.3 | Low | 65.1 | Low | 42 Ų | 42 | 94.2 Ų | 94.2 | 20% | 0.196 | 45% | 0.451 | C | S | . | . | trans | -84.9 | 111.5 | -172.2 | -166.5 | 164.5 | -9.4 | 0 | 0 | 111.6 | K72 K94 T100 | K72-Q98 VanDerWaalsContact CG-NE2 3.28Å; K94-Q98 VanDerWaalsContact O-CB 3.26Å; K94-Q98 WeakPolarHBondContact O-CB 3.45Å; K94-Q98 PolarHBondContact O-N 3.16Å; Q98-T100 PolarHBondContact O-N 3.47Å | ||
| 99 | T | 59.3 | Low | 65 | Low | 53 Ų | 53 | 94.8 Ų | 94.8 | 33% | 0.325 | 45% | 0.454 | S | S | . | . | trans | -62.9 | 100.5 | 171.9 | 49.7 | 0 | 0 | 0 | 0 | 109.5 | Y68 T97 R101 | Y68-T99 PolarHBondContact OH-O 2.89Å; T97-T99 PolarHBondContact O-N 3.49Å; T99-R101 PolarHBondContact O-N 2.81Å | ||
| 100 | T | 58.2 | Low | 65.1 | Low | 86 Ų | 86 | 98.6 Ų | 98.6 | 53% | 0.528 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -69.4 | -18.8 | 175.7 | 46.9 | 0 | 0 | 0 | 0 | 112.1 | Q98 | Q98-T100 PolarHBondContact O-N 3.47Š|
| 101 | R | 55.2 | Low | 65.2 | Low | 184 Ų | 184 | 100.1 Ų | 100.1 | 69% | 0.694 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -140 | 150.6 | -177.7 | -128.9 | 168.6 | -176.9 | 147 | -1.1 | 109.9 | T99 V103 | T99-R101 PolarHBondContact O-N 2.81Å; R101-V103 HydrophobicContact CB-CB 4.42Å; R101-V103 HydrophobicContact CB-CG2 4.1Å; R101-V103 HydrophobicContact CG-CG2 4.24Å; R101-V103 PolarHBondContact O-N 2.92Å |
| 102 | L | 57.9 | Low | 65.1 | Low | 178 Ų | 178 | 101 Ų | 101 | 93% | 0.932 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -63.4 | 9.8 | 171.9 | -65.5 | 170.1 | 0 | 0 | 0 | 113.9 | ||
| 103 | V | 56.3 | Low | 65.3 | Low | 59 Ų | 59 | 104.1 Ų | 104.1 | 36% | 0.358 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -77.8 | 142.9 | 178.1 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | R101 R105 E107 | R101-V103 HydrophobicContact CB-CB 4.42Å; R101-V103 HydrophobicContact CB-CG2 4.1Å; R101-V103 HydrophobicContact CG-CG2 4.24Å; R101-V103 PolarHBondContact O-N 2.92Å; V103-R105 PolarHBondContact O-N 3.41Å; V103-E107 HydrophobicContact CG1-CB 4.4Å; V103-E107 VanDerWaalsContact CG1-OE2 3.28Å; V103-E107 WeakPolarHBondContact CG1-OE2 3.3Å |
| 104 | G | 64.5 | Low | 65.8 | Low | 46 Ų | 46 | 104.6 Ų | 104.6 | 47% | 0.474 | 50% | 0.499 | S | S | . | . | trans | -48.1 | 131.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K106 E107 | G104-K106 PolarHBondContact O-N 2.97Å; G104-E107 PolarHBondContact O-N 3.41Å | ||
| 105 | R | 65.4 | Low | 66.2 | Low | 173 Ų | 173 | 105.8 Ų | 105.8 | 65% | 0.653 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -45.2 | -38.4 | -174.4 | -160.5 | -163.5 | -74.7 | -160.6 | -5.9 | 113.6 | V103 Y109 | V103-R105 PolarHBondContact O-N 3.41Å; R105-Y109 HydrophobicContact CG-CD2 4.09Å; R105-Y109 HydrophobicContact CG-CE2 3.46Å; R105-Y109 VanDerWaalsContact CG-CE2 3.46Å; R105-Y109 WeakPolarHBondContact O-CD2 3.4Å; R105-Y109 PolarHBondContact O-N 2.81Å |
| 106 | K | 71.5 | Confident | 67.1 | Low | 185 Ų | 185 | 101 Ų | 101 | 80% | 0.804 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.2 | -41 | -177.1 | -67 | -175.5 | 178.9 | -178.4 | 0 | 114 | G104 Y109 K110 | G104-K106 PolarHBondContact O-N 2.97Å; K106-Y109 PolarHBondContact O-N 3.35Å; K106-K110 PolarHBondContact O-N 3.38Å |
| 107 | E | 69.4 | Low | 68.1 | Low | 135 Ų | 135 | 95.9 Ų | 95.9 | 63% | 0.631 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -71.5 | -35 | -177.1 | -65.6 | -179.7 | 167.2 | 0 | 0 | 111.4 | V103 G104 K110 C111 | V103-E107 HydrophobicContact CG1-CB 4.4Å; V103-E107 VanDerWaalsContact CG1-OE2 3.28Å; V103-E107 WeakPolarHBondContact CG1-OE2 3.3Å; G104-E107 PolarHBondContact O-N 3.41Å; E107-K110 PolarHBondContact O-N 2.92Å; E107-C111 PolarHBondContact O-N 3.12Å |
| 108 | L | 65.9 | Low | 69.2 | Low | 50 Ų | 50 | 94.2 Ų | 94.2 | 26% | 0.262 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 174.7 | -70.8 | 175.7 | 0 | 0 | 0 | 112.1 | K110 C111 Y112 | L108-K110 VanDerWaalsContact C-N 3.33Å; L108-K110 PolarHBondContact O-N 3.38Å; L108-C111 PolarHBondContact O-N 3.38Å; L108-Y112 WeakPolarHBondContact O-CB 3.48Å; L108-Y112 PolarHBondContact O-N 2.95Å |
| 109 | Y | 70.7 | Confident | 70.2 | Confident | 94 Ų | 94 | 97 Ų | 97 | 37% | 0.369 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 175.5 | -80.3 | -62.2 | 0 | 0 | 0 | 112.1 | R96 R105 K106 Y112 E113 | R96-Y109 WeakPolarHBondContact O-CE1 3.49Å; R105-Y109 HydrophobicContact CG-CD2 4.09Å; R105-Y109 HydrophobicContact CG-CE2 3.46Å; R105-Y109 VanDerWaalsContact CG-CE2 3.46Å; R105-Y109 WeakPolarHBondContact O-CD2 3.4Å; R105-Y109 PolarHBondContact O-N 2.81Å; K106-Y109 PolarHBondContact O-N 3.35Å; Y109-Y112 PolarHBondContact O-N 2.86Å; Y109-E113 WeakPolarHBondContact O-CB 3.44Å; Y109-E113 PolarHBondContact O-N 3.46Å |
| 110 | K | 75.4 | Confident | 71.2 | Confident | 133 Ų | 133 | 95.3 Ų | 95.3 | 58% | 0.578 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.8 | -48 | 179.4 | -172 | -179.2 | 175.6 | -174.2 | 0 | 111.6 | K106 E107 L108 Y112 E113 E114 | K106-K110 PolarHBondContact O-N 3.38Å; E107-K110 PolarHBondContact O-N 2.92Å; L108-K110 VanDerWaalsContact C-N 3.33Å; L108-K110 PolarHBondContact O-N 3.38Å; K110-Y112 VanDerWaalsContact C-N 3.32Å; K110-Y112 PolarHBondContact O-N 2.89Å; K110-E113 PolarHBondContact O-N 2.86Å; K110-E114 WeakPolarHBondContact CE-OE1 3.47Å; K110-E114 WeakPolarHBondContact O-CG 3.19Å; K110-E114 PolarHBondContact O-N 3.39Å; K110-E114 VanDerWaalsContact O-N 3.08Å |
| 111 | C | 73.4 | Confident | 72.6 | Confident | 69 Ų | 69 | 97.3 Ų | 97.3 | 47% | 0.466 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 179 | -174 | 0 | 0 | 0 | 0 | 112.2 | E107 L108 T115 | E107-C111 PolarHBondContact O-N 3.12Å; L108-C111 PolarHBondContact O-N 3.38Å; C111-T115 PolarHBondContact O-N 3.3Å; C111-T115 PolarHBondContact O-OG1 3.41Å |
| 112 | Y | 71.5 | Confident | 74.3 | Confident | 47 Ų | 47 | 93.3 Ų | 93.3 | 18% | 0.184 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -64.3 | -48.1 | 175.7 | -174.7 | -91.1 | 0 | 0 | 0 | 112 | R96 L108 Y109 K110 E114 T115 A116 G117 E120 | R96-Y112 HydrophobicContact CG-CD1 4.26Å; R96-Y112 HydrophobicContact CG-CE1 3.84Å; L108-Y112 WeakPolarHBondContact O-CB 3.48Å; L108-Y112 PolarHBondContact O-N 2.95Å; Y109-Y112 PolarHBondContact O-N 2.86Å; K110-Y112 VanDerWaalsContact C-N 3.32Å; K110-Y112 PolarHBondContact O-N 2.89Å; Y112-E114 VanDerWaalsContact C-N 3.27Å; Y112-E114 PolarHBondContact O-N 3.42Å; Y112-T115 PolarHBondContact O-N 3.42Å; Y112-A116 HydrophobicContact CD1-CB 4.14Å; Y112-A116 HydrophobicContact CD2-CB 3.7Å; Y112-A116 HydrophobicContact CE1-CB 3.87Å; Y112-A116 HydrophobicContact CE2-CB 3.42Å; Y112-A116 VanDerWaalsContact CE2-CB 3.42Å; Y112-A116 HydrophobicContact CG-CB 4.07Å; Y112-A116 WeakPolarHBondContact O-CA 3.35Å; Y112-A116 WeakPolarHBondContact O-CB 3.34Å; Y112-A116 PolarHBondContact O-N 3.22Å; Y112-G117 PolarHBondContact O-N 3.35Å; Y112-E120 PolarHBondContact OH-OE1 2.98Å |
| 113 | E | 75.9 | Confident | 75.7 | Confident | 144 Ų | 144 | 88 Ų | 88 | 67% | 0.673 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61 | -38.3 | 179.8 | -170.5 | 170.1 | -162.1 | 0 | 0 | 111.8 | Y109 K110 T115 | Y109-E113 WeakPolarHBondContact O-CB 3.44Å; Y109-E113 PolarHBondContact O-N 3.46Å; K110-E113 PolarHBondContact O-N 2.86Å; E113-T115 PolarHBondContact O-N 2.86Å |
| 114 | E | 78.6 | Confident | 77.3 | Confident | 126 Ų | 126 | 88.2 Ų | 88.2 | 59% | 0.589 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -68.9 | -29.7 | 177 | -73.1 | 173.6 | 179.9 | 0 | 0 | 113.7 | K110 Y112 | K110-E114 WeakPolarHBondContact CE-OE1 3.47Å; K110-E114 WeakPolarHBondContact O-CG 3.19Å; K110-E114 PolarHBondContact O-N 3.39Å; K110-E114 VanDerWaalsContact O-N 3.08Å; Y112-E114 VanDerWaalsContact C-N 3.27Å; Y112-E114 PolarHBondContact O-N 3.42Å |
| 115 | T | 76.3 | Confident | 78.7 | Confident | 83 Ų | 83 | 91.7 Ų | 91.7 | 51% | 0.509 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -110.2 | -52.5 | -170.9 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | C111 Y112 E113 I119 | C111-T115 PolarHBondContact O-N 3.3Å; C111-T115 PolarHBondContact O-OG1 3.41Å; Y112-T115 PolarHBondContact O-N 3.42Å; E113-T115 PolarHBondContact O-N 2.86Å; T115-I119 WeakPolarHBondContact O-CD1 3.5Å |
| 116 | A | 79.4 | Confident | 80 | Confident | 20 Ų | 20 | 89 Ų | 89 | 17% | 0.165 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -87.2 | -26.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y112 I119 E120 | Y112-A116 HydrophobicContact CD1-CB 4.14Å; Y112-A116 HydrophobicContact CD2-CB 3.7Å; Y112-A116 HydrophobicContact CE1-CB 3.87Å; Y112-A116 HydrophobicContact CE2-CB 3.42Å; Y112-A116 VanDerWaalsContact CE2-CB 3.42Å; Y112-A116 HydrophobicContact CG-CB 4.07Å; Y112-A116 WeakPolarHBondContact O-CA 3.35Å; Y112-A116 WeakPolarHBondContact O-CB 3.34Å; Y112-A116 PolarHBondContact O-N 3.22Å; A116-I119 PolarHBondContact O-N 3.39Å; A116-I119 VanDerWaalsContact O-N 3.12Å; A116-E120 PolarHBondContact O-N 3.27Å |
| 117 | G | 80 | Confident | 80.9 | Confident | 12 Ų | 12 | 84.4 Ų | 84.4 | 12% | 0.124 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -53.6 | -51.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y112 I119 E120 Q121 | Y112-G117 PolarHBondContact O-N 3.35Å; G117-I119 VanDerWaalsContact C-N 3.32Å; G117-I119 PolarHBondContact O-N 2.94Å; G117-E120 PolarHBondContact O-N 3.06Å; G117-Q121 PolarHBondContact O-N 3.3Å |
| 118 | P | 84.1 | Confident | 82 | Confident | 59 Ų | 59 | 84.5 Ų | 84.5 | 38% | 0.383 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.2 | -34.9 | 176.5 | -24 | 34.7 | 0 | 0 | 0 | 113.3 | Q121 L122 | P118-Q121 PolarHBondContact O-N 3.37Å; P118-L122 WeakPolarHBondContact O-CD1 3.34Å; P118-L122 PolarHBondContact O-N 3.48Å; P118-L122 VanDerWaalsContact O-N 3.12Å |
| 119 | I | 85.1 | Confident | 83.4 | Confident | 101 Ų | 101 | 86.1 Ų | 86.1 | 52% | 0.518 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | -179.7 | -59.8 | 173.4 | 0 | 0 | 0 | 110.2 | T115 A116 G117 Q121 L122 E123 | T115-I119 WeakPolarHBondContact O-CD1 3.5Å; A116-I119 PolarHBondContact O-N 3.39Å; A116-I119 VanDerWaalsContact O-N 3.12Å; G117-I119 VanDerWaalsContact C-N 3.32Å; G117-I119 PolarHBondContact O-N 2.94Å; I119-Q121 VanDerWaalsContact C-N 3.31Å; I119-Q121 PolarHBondContact O-N 3.44Å; I119-L122 PolarHBondContact O-N 3.37Å; I119-E123 WeakPolarHBondContact O-CG 3.44Å; I119-E123 PolarHBondContact O-N 3.04Å |
| 120 | E | 81.7 | Confident | 84.4 | Confident | 18 Ų | 18 | 84 Ų | 84 | 8% | 0.084 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58.7 | -42.1 | 175.6 | -70.6 | -176.2 | 166.7 | 0 | 0 | 112 | W88 R96 Y112 A116 G117 E123 D124 | W88-E120 HydrophobicContact CZ2-CG 4.11Å; R96-E120 IonicContact CZ-OE2 3.64Å; R96-E120 IonicContact NH1-OE1 3.51Å; R96-E120 PolarHBondContact NH1-OE1 3.31Å; R96-E120 IonicContact NH1-OE2 3.59Å; R96-E120 PolarHBondContact NH1-OE2 3.13Å; R96-E120 IonicContact NH2-OE2 3.48Å; Y112-E120 PolarHBondContact OH-OE1 2.98Å; A116-E120 PolarHBondContact O-N 3.27Å; G117-E120 PolarHBondContact O-N 3.06Å; E120-E123 PolarHBondContact O-N 3.49Å; E120-D124 PolarHBondContact O-N 3.4Å |
| 121 | Q | 87 | Confident | 85.2 | Confident | 127 Ų | 127 | 82.8 Ų | 82.8 | 59% | 0.593 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.8 | -44.8 | 178.4 | -69 | 176.1 | -16.4 | 0 | 0 | 111.7 | G117 P118 I119 E123 D124 E125 | G117-Q121 PolarHBondContact O-N 3.3Å; P118-Q121 PolarHBondContact O-N 3.37Å; I119-Q121 VanDerWaalsContact C-N 3.31Å; I119-Q121 PolarHBondContact O-N 3.44Å; Q121-E123 VanDerWaalsContact C-N 3.29Å; Q121-E123 PolarHBondContact O-N 2.89Å; Q121-D124 PolarHBondContact O-N 3.04Å; Q121-E125 WeakPolarHBondContact O-CG 3.45Å; Q121-E125 PolarHBondContact O-N 2.99Å |
| 122 | L | 90.5 | Very high | 86.2 | Confident | 101 Ų | 101 | 86.2 Ų | 86.2 | 53% | 0.529 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.7 | -36.9 | 176 | -90 | 82.3 | 0 | 0 | 0 | 112 | P118 I119 E125 L126 | P118-L122 WeakPolarHBondContact O-CD1 3.34Å; P118-L122 PolarHBondContact O-N 3.48Å; P118-L122 VanDerWaalsContact O-N 3.12Å; I119-L122 PolarHBondContact O-N 3.37Å; L122-E125 PolarHBondContact O-N 3.01Å; L122-L126 WeakPolarHBondContact O-CB 3.22Å; L122-L126 VanDerWaalsContact O-CG 3.24Å; L122-L126 WeakPolarHBondContact O-CG 3.39Å; L122-L126 PolarHBondContact O-N 2.87Å |
| 123 | E | 87.2 | Confident | 87.2 | Confident | 65 Ų | 65 | 90.9 Ų | 90.9 | 30% | 0.304 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 176.5 | -73.8 | 176.4 | 170.2 | 0 | 0 | 112.3 | W88 I119 E120 Q121 L126 L127 | W88-E123 WeakPolarHBondContact CZ2-OE2 3.39Å; W88-E123 PolarHBondContact NE1-OE2 3.48Å; I119-E123 WeakPolarHBondContact O-CG 3.44Å; I119-E123 PolarHBondContact O-N 3.04Å; E120-E123 PolarHBondContact O-N 3.49Å; Q121-E123 VanDerWaalsContact C-N 3.29Å; Q121-E123 PolarHBondContact O-N 2.89Å; E123-L126 PolarHBondContact O-N 3.35Å; E123-L127 WeakPolarHBondContact O-CB 3.45Å; E123-L127 WeakPolarHBondContact O-CG 3.5Å; E123-L127 PolarHBondContact O-N 2.99Å |
| 124 | D | 89.3 | Confident | 88 | Confident | 65 Ų | 65 | 89.1 Ų | 89.1 | 35% | 0.348 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 175.6 | -72.4 | -31.4 | 0 | 0 | 0 | 110.6 | R92 E120 Q121 L126 L127 E128 | R92-D124 IonicContact NH1-OD1 2.73Å; R92-D124 PolarHBondContact NH1-OD1 3.03Å; R92-D124 IonicContact NH1-OD2 3.05Å; E120-D124 PolarHBondContact O-N 3.4Å; Q121-D124 PolarHBondContact O-N 3.04Å; D124-L126 PolarHBondContact O-N 3.38Å; D124-L127 PolarHBondContact O-N 3.39Å; D124-E128 WeakPolarHBondContact O-CG 3.44Å; D124-E128 PolarHBondContact O-N 3.06Å |
| 125 | E | 94 | Very high | 88.6 | Confident | 119 Ų | 119 | 91.3 Ų | 91.3 | 56% | 0.556 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60.2 | -43.9 | 173.8 | -72.4 | 179.7 | -176.7 | 0 | 0 | 112.3 | Q121 L122 L127 E128 L129 | Q121-E125 WeakPolarHBondContact O-CG 3.45Å; Q121-E125 PolarHBondContact O-N 2.99Å; L122-E125 PolarHBondContact O-N 3.01Å; E125-L127 VanDerWaalsContact C-N 3.34Å; E125-L127 PolarHBondContact O-N 3.09Å; E125-E128 PolarHBondContact O-N 3.36Å; E125-L129 WeakPolarHBondContact O-CB 3.31Å; E125-L129 VanDerWaalsContact O-CG 3.29Å; E125-L129 WeakPolarHBondContact O-CG 3.23Å; E125-L129 PolarHBondContact O-N 2.68Å |
| 126 | L | 93.2 | Very high | 89.4 | Confident | 115 Ų | 115 | 94 Ų | 94 | 60% | 0.602 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.8 | -36.9 | 177.5 | -74.2 | 172.4 | 0 | 0 | 0 | 112.2 | L122 E123 D124 S130 | L122-L126 WeakPolarHBondContact O-CB 3.22Å; L122-L126 VanDerWaalsContact O-CG 3.24Å; L122-L126 WeakPolarHBondContact O-CG 3.39Å; L122-L126 PolarHBondContact O-N 2.87Å; E123-L126 PolarHBondContact O-N 3.35Å; D124-L126 PolarHBondContact O-N 3.38Å; L126-S130 WeakPolarHBondContact O-CB 3.4Å; L126-S130 PolarHBondContact O-N 3.11Å |
| 127 | L | 89.6 | Confident | 89.8 | Confident | 89 Ų | 89 | 99.6 Ų | 99.6 | 47% | 0.466 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 175.1 | -80.9 | 169.8 | 0 | 0 | 0 | 111.1 | E123 D124 E125 S130 Q131 | E123-L127 WeakPolarHBondContact O-CB 3.45Å; E123-L127 WeakPolarHBondContact O-CG 3.5Å; E123-L127 PolarHBondContact O-N 2.99Å; D124-L127 PolarHBondContact O-N 3.39Å; E125-L127 VanDerWaalsContact C-N 3.34Å; E125-L127 PolarHBondContact O-N 3.09Å; L127-S130 PolarHBondContact O-N 2.99Å; L127-S130 PolarHBondContact O-OG 3.3Å; L127-Q131 WeakPolarHBondContact O-CG 3.39Å; L127-Q131 PolarHBondContact O-N 3.33Å |
| 128 | E | 93.4 | Very high | 89.5 | Confident | 138 Ų | 138 | 106.5 Ų | 106.5 | 65% | 0.645 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.9 | -45.5 | 175.8 | -72.2 | -176.1 | -178.8 | 0 | 0 | 112 | D124 E125 S130 Q131 K132 | D124-E128 WeakPolarHBondContact O-CG 3.44Å; D124-E128 PolarHBondContact O-N 3.06Å; E125-E128 PolarHBondContact O-N 3.36Å; E128-S130 PolarHBondContact O-N 3.49Å; E128-Q131 PolarHBondContact O-N 2.96Å; E128-K132 WeakPolarHBondContact O-CB 3.37Å; E128-K132 PolarHBondContact O-N 3.21Å |
| 129 | L | 94.8 | Very high | 88.6 | Confident | 83 Ų | 83 | 112.8 Ų | 112.8 | 44% | 0.435 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.9 | -46.4 | 175.1 | -71.8 | 174.6 | 0 | 0 | 0 | 111 | E125 Q131 K132 Y133 | E125-L129 WeakPolarHBondContact O-CB 3.31Å; E125-L129 VanDerWaalsContact O-CG 3.29Å; E125-L129 WeakPolarHBondContact O-CG 3.23Å; E125-L129 PolarHBondContact O-N 2.68Å; L129-Q131 VanDerWaalsContact C-N 3.29Å; L129-Q131 PolarHBondContact O-N 3.02Å; L129-K132 WeakPolarHBondContact O-CB 3.49Å; L129-K132 PolarHBondContact O-N 3.32Å; L129-K132 VanDerWaalsContact O-N 3.1Å; L129-Y133 HydrophobicContact CB-CD2 4.45Å; L129-Y133 HydrophobicContact CB-CE2 4.38Å; L129-Y133 WeakPolarHBondContact O-CD2 3.46Å; L129-Y133 PolarHBondContact O-N 3.4Å |
| 130 | S | 92.9 | Very high | 88.8 | Confident | 50 Ų | 50 | 113.4 Ų | 113.4 | 35% | 0.35 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -58.5 | -41.5 | 179.1 | 79.9 | 0 | 0 | 0 | 0 | 112.3 | L126 L127 E128 K132 Y133 L134 | L126-S130 WeakPolarHBondContact O-CB 3.4Å; L126-S130 PolarHBondContact O-N 3.11Å; L127-S130 PolarHBondContact O-N 2.99Å; L127-S130 PolarHBondContact O-OG 3.3Å; E128-S130 PolarHBondContact O-N 3.49Å; S130-K132 VanDerWaalsContact C-N 3.34Å; S130-Y133 PolarHBondContact O-N 3.05Å; S130-L134 WeakPolarHBondContact O-CB 3.5Å; S130-L134 WeakPolarHBondContact O-CG 3.49Å; S130-L134 PolarHBondContact O-N 3.13Å |
| 131 | Q | 91.5 | Very high | 89.1 | Confident | 107 Ų | 107 | 118.4 Ų | 118.4 | 50% | 0.5 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.4 | -36.3 | 177.9 | -70.4 | 178.4 | 11.9 | 0 | 0 | 111.6 | L127 E128 L129 K135 | L127-Q131 WeakPolarHBondContact O-CG 3.39Å; L127-Q131 PolarHBondContact O-N 3.33Å; E128-Q131 PolarHBondContact O-N 2.96Å; L129-Q131 VanDerWaalsContact C-N 3.29Å; L129-Q131 PolarHBondContact O-N 3.02Å; Q131-K135 WeakPolarHBondContact O-CG 3.34Å; Q131-K135 PolarHBondContact O-N 2.99Å |
| 132 | K | 94.4 | Very high | 89.2 | Confident | 141 Ų | 141 | 117.9 Ų | 117.9 | 61% | 0.613 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.2 | -49 | 174.4 | -172 | -180 | 176.9 | -176.5 | 0 | 111.3 | E128 L129 S130 L134 K135 E136 | E128-K132 WeakPolarHBondContact O-CB 3.37Å; E128-K132 PolarHBondContact O-N 3.21Å; L129-K132 WeakPolarHBondContact O-CB 3.49Å; L129-K132 PolarHBondContact O-N 3.32Å; L129-K132 VanDerWaalsContact O-N 3.1Å; S130-K132 VanDerWaalsContact C-N 3.34Å; K132-L134 VanDerWaalsContact C-N 3.32Å; K132-L134 PolarHBondContact O-N 3.42Å; K132-K135 PolarHBondContact O-N 2.99Å; K132-K135 VanDerWaalsContact O-N 3.15Å; K132-E136 PolarHBondContact O-N 3.35Å; K132-E136 VanDerWaalsContact O-N 3.16Å |
| 133 | Y | 92.4 | Very high | 89.2 | Confident | 145 Ų | 145 | 118.9 Ų | 118.9 | 57% | 0.569 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -59.1 | -41.1 | 175.7 | -80.5 | -72.1 | 0 | 0 | 0 | 112.3 | L129 S130 K135 E136 H137 | L129-Y133 HydrophobicContact CB-CD2 4.45Å; L129-Y133 HydrophobicContact CB-CE2 4.38Å; L129-Y133 WeakPolarHBondContact O-CD2 3.46Å; L129-Y133 PolarHBondContact O-N 3.4Å; S130-Y133 PolarHBondContact O-N 3.05Å; Y133-K135 PolarHBondContact O-N 3.42Å; Y133-E136 PolarHBondContact O-N 3.45Å; Y133-H137 WeakPolarHBondContact O-CB 3.45Å; Y133-H137 PolarHBondContact O-CD2 3.32Å; Y133-H137 PolarHBondContact O-N 3.33Å |
| 134 | L | 92.9 | Very high | 89.3 | Confident | 108 Ų | 108 | 122.3 Ų | 122.3 | 57% | 0.565 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.8 | -35.6 | 176.5 | -76 | 171.3 | 0 | 0 | 0 | 112.5 | S130 K132 E136 K138 | S130-L134 WeakPolarHBondContact O-CB 3.5Å; S130-L134 WeakPolarHBondContact O-CG 3.49Å; S130-L134 PolarHBondContact O-N 3.13Å; K132-L134 VanDerWaalsContact C-N 3.32Å; K132-L134 PolarHBondContact O-N 3.42Å; L134-E136 VanDerWaalsContact C-N 3.34Å; L134-K138 WeakPolarHBondContact O-CA 3.47Å; L134-K138 WeakPolarHBondContact O-CB 3.5Å; L134-K138 PolarHBondContact O-N 3.39Å |
| 135 | K | 91.4 | Very high | 89.3 | Confident | 172 Ų | 172 | 126.1 Ų | 126.1 | 75% | 0.748 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.3 | -33.1 | 176.6 | -73.8 | 171.5 | -176.4 | 174.8 | 0 | 112.7 | Q131 K132 Y133 | Q131-K135 WeakPolarHBondContact O-CG 3.34Å; Q131-K135 PolarHBondContact O-N 2.99Å; K132-K135 PolarHBondContact O-N 2.99Å; K132-K135 VanDerWaalsContact O-N 3.15Å; Y133-K135 PolarHBondContact O-N 3.42Å |
| 136 | E | 92.2 | Very high | 89 | Confident | 139 Ų | 139 | 126.6 Ų | 126.6 | 65% | 0.65 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -79.9 | -35.4 | -178.8 | -171.9 | 170.9 | 179.8 | 0 | 0 | 112.8 | K132 Y133 L134 | K132-E136 PolarHBondContact O-N 3.35Å; K132-E136 VanDerWaalsContact O-N 3.16Å; Y133-E136 PolarHBondContact O-N 3.45Å; L134-E136 VanDerWaalsContact C-N 3.34Å |
| 137 | H | 88.9 | Confident | 88.6 | Confident | 137 Ų | 137 | 127.5 Ų | 127.5 | 63% | 0.634 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -111.4 | -5.6 | -173.1 | -67.3 | -67.3 | 0 | 0 | 0 | 115.5 | Y133 P139 | Y133-H137 WeakPolarHBondContact O-CB 3.45Å; Y133-H137 PolarHBondContact O-CD2 3.32Å; Y133-H137 PolarHBondContact O-N 3.33Å; H137-P139 WeakPolarHBondContact O-CD 3.49Å |
| 138 | K | 73.1 | Confident | 88.5 | Confident | 158 Ų | 158 | 130.8 Ų | 130.8 | 69% | 0.687 | 64% | 0.636 | S | S | * | * | trans | -78.2 | 119 | 173.8 | -168.3 | 173.8 | -167.1 | 179.6 | 0 | 108.4 | L134 | L134-K138 WeakPolarHBondContact O-CA 3.47Å; L134-K138 WeakPolarHBondContact O-CB 3.5Å; L134-K138 PolarHBondContact O-N 3.39Å | ||
| 139 | P | 64.7 | Low | 88.1 | Confident | 191 Ų | 191 | 130.1 Ų | 130.1 | 100% | 1.24 | 64% | 0.635 | S | S | * | * | trans | -64.1 | 0 | 179.4 | 29.8 | -36.4 | 0 | 0 | 0 | 112.2 | H137 | H137-P139 WeakPolarHBondContact O-CD 3.49Š|
Retrieved 139 of 139 residues in 393.5 ms
(Link to these results)