| 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 | F | 38.2 | Very low | 37.7 | Very low | 218 Ų | 218 | 127.7 Ų | 127.7 | 96% | 0.956 | 64% | 0.639 | S | S | * | * | 0 | -18.7 | 0 | -104.4 | -91 | 0 | 0 | 0 | 115.6 | G3 | F1-G3 PolarHBondContact O-N 3.46Å; F1-G3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | I | 37.3 | Very low | 37.3 | Very low | 151 Ų | 151 | 125.1 Ų | 125.1 | 77% | 0.774 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68 | -12.1 | 178 | -61.5 | 170.8 | 0 | 0 | 0 | 113.5 | N6 | I2-N6 PolarHBondContact O-ND2 3.02Å |
| 3 | G | 37.7 | Very low | 37.2 | Very low | 50 Ų | 50 | 130.5 Ų | 130.5 | 52% | 0.515 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -79.3 | -38.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | F1 | F1-G3 PolarHBondContact O-N 3.46Å; F1-G3 VanDerWaalsContact O-N 3.16Å |
| 4 | E | 38 | Very low | 36.9 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 67% | 0.668 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -86.9 | -33.3 | -169.6 | -74.5 | -175.1 | 158.2 | 0 | 0 | 113.7 | N6 L7 | E4-N6 VanDerWaalsContact C-N 3.26Å; E4-N6 PolarHBondContact O-N 3.34Å; E4-L7 WeakPolarHBondContact O-CB 3.39Å; E4-L7 PolarHBondContact O-N 3.02Å; E4-L7 VanDerWaalsContact O-N 3.09Å |
| 5 | V | 41.4 | Very low | 36.6 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 61% | 0.606 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.5 | -30.1 | 176 | -174.7 | 0 | 0 | 0 | 0 | 111.2 | L7 | V5-L7 VanDerWaalsContact C-N 3.31Å; V5-L7 PolarHBondContact O-N 3.14Å |
| 6 | N | 37 | Very low | 36.6 | Very low | 87 Ų | 87 | 132.2 Ų | 132.2 | 47% | 0.465 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -72.6 | -22.5 | 173.2 | -95.6 | -48.4 | 0 | 0 | 0 | 113.3 | I2 E4 N10 | I2-N6 PolarHBondContact O-ND2 3.02Å; E4-N6 VanDerWaalsContact C-N 3.26Å; E4-N6 PolarHBondContact O-N 3.34Å; N6-N10 WeakPolarHBondContact O-CB 3.33Å; N6-N10 PolarHBondContact O-N 3.08Å; N6-N10 PolarHBondContact O-ND2 2.96Å |
| 7 | L | 39.1 | Very low | 36.8 | Very low | 113 Ų | 113 | 130 Ų | 130 | 59% | 0.592 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.2 | -36.5 | 178.4 | -104.5 | 142.2 | 0 | 0 | 0 | 111.7 | E4 V5 F11 | E4-L7 WeakPolarHBondContact O-CB 3.39Å; E4-L7 PolarHBondContact O-N 3.02Å; E4-L7 VanDerWaalsContact O-N 3.09Å; V5-L7 VanDerWaalsContact C-N 3.31Å; V5-L7 PolarHBondContact O-N 3.14Å; L7-F11 VanDerWaalsContact O-CB 3.27Å; L7-F11 WeakPolarHBondContact O-CB 3.25Å; L7-F11 PolarHBondContact O-N 3.24Å |
| 8 | F | 36.8 | Very low | 36.7 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 73% | 0.728 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.5 | -36.9 | 179 | -137.8 | -95.5 | 0 | 0 | 0 | 112.8 | ||
| 9 | F | 36.8 | Very low | 36.5 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 68% | 0.68 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -77 | -32.8 | 173.4 | -91.5 | -83.4 | 0 | 0 | 0 | 113.2 | R13 | F9-R13 PolarHBondContact O-N 3.11Å |
| 10 | N | 34.9 | Very low | 36.6 | Very low | 77 Ų | 77 | 129 Ų | 129 | 41% | 0.412 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -78.4 | -24.1 | 174.6 | -80.6 | -65.2 | 0 | 0 | 0 | 113.8 | N6 R13 R14 | N6-N10 WeakPolarHBondContact O-CB 3.33Å; N6-N10 PolarHBondContact O-N 3.08Å; N6-N10 PolarHBondContact O-ND2 2.96Å; N10-R13 PolarHBondContact O-N 3.19Å; N10-R14 VanDerWaalsContact O-CB 3.28Å; N10-R14 WeakPolarHBondContact O-CB 3.33Å; N10-R14 PolarHBondContact O-N 3.45Å |
| 11 | F | 37.3 | Very low | 36.7 | Very low | 145 Ų | 145 | 128.1 Ų | 128.1 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.6 | -39.4 | 175.1 | -153.6 | -98.2 | 0 | 0 | 0 | 110.9 | L7 C15 | L7-F11 VanDerWaalsContact O-CB 3.27Å; L7-F11 WeakPolarHBondContact O-CB 3.25Å; L7-F11 PolarHBondContact O-N 3.24Å; F11-C15 PolarHBondContact O-N 3.21Å; F11-C15 PolarHBondContact O-SG 2.94Å; F11-C15 VanDerWaalsContact O-SG 3.41Å |
| 12 | N | 33.3 | Very low | 36.5 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 51% | 0.513 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -73.9 | -34.1 | 174.2 | -93.1 | -47.8 | 0 | 0 | 0 | 113.5 | F16 | N12-F16 WeakPolarHBondContact O-CD2 3.35Å; N12-F16 PolarHBondContact O-N 3.12Å |
| 13 | R | 36.1 | Very low | 36.8 | Very low | 195 Ų | 195 | 129 Ų | 129 | 74% | 0.736 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -76.1 | -33.4 | 174.5 | -89.1 | -170.7 | 175.2 | -165.2 | 0.7 | 114.2 | F9 N10 F16 S17 | F9-R13 PolarHBondContact O-N 3.11Å; N10-R13 PolarHBondContact O-N 3.19Å; R13-F16 PolarHBondContact O-N 3.36Å; R13-S17 VanDerWaalsContact O-CB 3.23Å; R13-S17 WeakPolarHBondContact O-CB 3.49Å; R13-S17 PolarHBondContact O-N 2.92Å |
| 14 | R | 32.4 | Very low | 37 | Very low | 187 Ų | 187 | 130.7 Ų | 130.7 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.2 | -35.5 | 173.4 | -92.3 | -178.7 | 167.1 | 171.9 | -3.5 | 111.7 | N10 Y18 | N10-R14 VanDerWaalsContact O-CB 3.28Å; N10-R14 WeakPolarHBondContact O-CB 3.33Å; N10-R14 PolarHBondContact O-N 3.45Å; R14-Y18 WeakPolarHBondContact O-CD2 3.43Å |
| 15 | C | 33 | Very low | 37.2 | Very low | 72 Ų | 72 | 127.3 Ų | 127.3 | 49% | 0.486 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -71.8 | -31.2 | 174.8 | -70.8 | 0 | 0 | 0 | 0 | 113.1 | F11 | F11-C15 PolarHBondContact O-N 3.21Å; F11-C15 PolarHBondContact O-SG 2.94Å; F11-C15 VanDerWaalsContact O-SG 3.41Å |
| 16 | F | 36.9 | Very low | 37.7 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 70% | 0.702 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -87.3 | -24.8 | 177 | -89.5 | -86.4 | 0 | 0 | 0 | 114.9 | N12 R13 Y18 C19 | N12-F16 WeakPolarHBondContact O-CD2 3.35Å; N12-F16 PolarHBondContact O-N 3.12Å; R13-F16 PolarHBondContact O-N 3.36Å; F16-Y18 VanDerWaalsContact C-N 3.33Å; F16-Y18 PolarHBondContact O-N 3.35Å; F16-C19 PolarHBondContact O-N 2.82Å |
| 17 | S | 39.9 | Very low | 38.1 | Very low | 95 Ų | 95 | 131.2 Ų | 131.2 | 66% | 0.664 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -76.5 | -17.9 | 178.8 | -169.4 | 0 | 0 | 0 | 0 | 113.7 | R13 | R13-S17 VanDerWaalsContact O-CB 3.23Å; R13-S17 WeakPolarHBondContact O-CB 3.49Å; R13-S17 PolarHBondContact O-N 2.92Å |
| 18 | Y | 34.8 | Very low | 38.6 | Very low | 204 Ų | 204 | 129.3 Ų | 129.3 | 80% | 0.8 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -6.3 | 172.9 | -82.1 | -78.8 | 0 | 0 | 0 | 113.8 | R14 F16 A20 | R14-Y18 WeakPolarHBondContact O-CD2 3.43Å; F16-Y18 VanDerWaalsContact C-N 3.33Å; F16-Y18 PolarHBondContact O-N 3.35Å; Y18-A20 PolarHBondContact O-N 2.88Å |
| 19 | C | 32.7 | Very low | 39.2 | Very low | 98 Ų | 98 | 124.8 Ų | 124.8 | 66% | 0.662 | 63% | 0.631 | S | S | * | * | trans | -93.2 | 54.9 | 162.2 | -72.2 | 0 | 0 | 0 | 0 | 109.7 | F16 | F16-C19 PolarHBondContact O-N 2.82Š| ||
| 20 | A | 39.3 | Very low | 40 | Very low | 68 Ų | 68 | 122.1 Ų | 122.1 | 56% | 0.562 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -49.6 | 138.6 | 143.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | Y18 L22 | Y18-A20 PolarHBondContact O-N 2.88Å; A20-L22 PolarHBondContact O-N 2.79Å |
| 21 | P | 38.3 | Very low | 40.7 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 71% | 0.714 | 63% | 0.626 | S | S | * | * | trans | -47.2 | 126.7 | 168.8 | 22.1 | -31 | 0 | 0 | 0 | 104.8 | R23 | P21-R23 PolarHBondContact O-N 2.93Š| ||
| 22 | L | 34.2 | Very low | 41.5 | Very low | 162 Ų | 162 | 121.3 Ų | 121.3 | 85% | 0.848 | 62% | 0.624 | S | S | * | * | trans | -47.7 | 97 | 170.2 | -88.6 | 155.1 | 0 | 0 | 0 | 104.2 | A20 V24 | A20-L22 PolarHBondContact O-N 2.79Å; L22-V24 PolarHBondContact O-N 2.92Å | ||
| 23 | R | 42.3 | Very low | 42.4 | Very low | 225 Ų | 225 | 126.6 Ų | 126.6 | 85% | 0.849 | 64% | 0.637 | S | S | * | * | trans | -67.1 | 89.9 | 163.4 | -83.5 | -173.1 | -179.9 | -174.1 | 1.1 | 98.8 | P21 P25 | P21-R23 PolarHBondContact O-N 2.93Å; R23-P25 VanDerWaalsContact C-N 3.3Å; R23-P25 WeakPolarHBondContact O-CD 3.46Å | ||
| 24 | V | 42.8 | Very low | 43.3 | Very low | 87 Ų | 87 | 122.5 Ų | 122.5 | 53% | 0.527 | 63% | 0.629 | S | S | . | * | trans | -46.5 | 109.5 | 169.6 | 178.6 | 0 | 0 | 0 | 0 | 102.4 | L22 V26 L28 | L22-V24 PolarHBondContact O-N 2.92Å; V24-V26 PolarHBondContact O-N 3.33Å; V24-L28 HydrophobicContact CG1-CB 3.44Å; V24-L28 VanDerWaalsContact CG1-CB 3.44Å; V24-L28 HydrophobicContact CG1-CD2 3.83Å; V24-L28 HydrophobicContact CG1-CG 4.16Å | ||
| 25 | P | 41.8 | Very low | 44.5 | Very low | 71 Ų | 71 | 120.2 Ų | 120.2 | 46% | 0.461 | 63% | 0.63 | S | S | . | * | trans | -53.1 | 139.6 | 178.1 | -22.9 | 33.1 | 0 | 0 | 0 | 105.1 | R23 E27 L28 | R23-P25 VanDerWaalsContact C-N 3.3Å; R23-P25 WeakPolarHBondContact O-CD 3.46Å; P25-E27 HydrophobicContact CB-CB 4.47Å; P25-E27 PolarHBondContact O-N 3.46Å; P25-L28 PolarHBondContact O-N 3.06Å | ||
| 26 | V | 52.6 | Low | 45.3 | Very low | 139 Ų | 139 | 119.7 Ų | 119.7 | 84% | 0.842 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -15.5 | 178 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | V24 P29 | V24-V26 PolarHBondContact O-N 3.33Å; V26-P29 WeakPolarHBondContact O-CD 3.39Å |
| 27 | E | 44.2 | Very low | 46.3 | Very low | 130 Ų | 130 | 122.4 Ų | 122.4 | 61% | 0.607 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -9 | 176 | -57.1 | -178.2 | 171.1 | 0 | 0 | 116.4 | P25 P29 I30 L31 | P25-E27 HydrophobicContact CB-CB 4.47Å; P25-E27 PolarHBondContact O-N 3.46Å; E27-P29 VanDerWaalsContact C-CD 3.43Å; E27-P29 VanDerWaalsContact C-N 3.33Å; E27-I30 CarbonylContact O-C 3.07Å; E27-I30 WeakPolarHBondContact O-CA 3.37Å; E27-I30 WeakPolarHBondContact O-CB 3.34Å; E27-I30 PolarHBondContact O-N 3.43Å; E27-L31 PolarHBondContact O-N 3.29Å |
| 28 | L | 49.6 | Very low | 47.4 | Very low | 73 Ų | 73 | 124.3 Ų | 124.3 | 38% | 0.382 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -58.3 | -38 | 175.6 | -148.1 | 92 | 0 | 0 | 0 | 113 | V24 P25 I30 L31 L32 | V24-L28 HydrophobicContact CG1-CB 3.44Å; V24-L28 VanDerWaalsContact CG1-CB 3.44Å; V24-L28 HydrophobicContact CG1-CD2 3.83Å; V24-L28 HydrophobicContact CG1-CG 4.16Å; P25-L28 PolarHBondContact O-N 3.06Å; L28-I30 PolarHBondContact O-N 3Å; L28-L31 PolarHBondContact O-N 3.47Å; L28-L32 HydrophobicContact CD2-CD1 4.25Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 PolarHBondContact O-N 3.04Å |
| 29 | P | 51.2 | Low | 48.7 | Very low | 72 Ų | 72 | 120.2 Ų | 120.2 | 47% | 0.468 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -60.8 | -30.5 | 169.8 | -22.2 | 33.6 | 0 | 0 | 0 | 113.4 | V26 E27 R33 | V26-P29 WeakPolarHBondContact O-CD 3.39Å; E27-P29 VanDerWaalsContact C-CD 3.43Å; E27-P29 VanDerWaalsContact C-N 3.33Å; P29-R33 VanDerWaalsContact O-CG 3.25Å; P29-R33 WeakPolarHBondContact O-CG 3.32Å; P29-R33 PolarHBondContact O-N 3.25Å |
| 30 | I | 53.1 | Low | 50.5 | Low | 99 Ų | 99 | 120.6 Ų | 120.6 | 51% | 0.508 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -75.5 | -43.7 | 177.5 | -57 | 177 | 0 | 0 | 0 | 109.9 | E27 L28 R33 L34 | E27-I30 CarbonylContact O-C 3.07Å; E27-I30 WeakPolarHBondContact O-CA 3.37Å; E27-I30 WeakPolarHBondContact O-CB 3.34Å; E27-I30 PolarHBondContact O-N 3.43Å; L28-I30 PolarHBondContact O-N 3Å; I30-R33 PolarHBondContact O-N 3.38Å; I30-L34 HydrophobicContact CG2-CD1 4.04Å; I30-L34 WeakPolarHBondContact O-CG 3.44Å; I30-L34 PolarHBondContact O-N 2.8Å |
| 31 | L | 49.8 | Very low | 51.9 | Low | 91 Ų | 91 | 123.3 Ų | 123.3 | 48% | 0.476 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -62.2 | -42.2 | 175.3 | -87.6 | 161.8 | 0 | 0 | 0 | 112.6 | E27 L28 R33 L34 L35 | E27-L31 PolarHBondContact O-N 3.29Å; L28-L31 PolarHBondContact O-N 3.47Å; L31-R33 VanDerWaalsContact C-N 3.33Å; L31-R33 PolarHBondContact O-N 3.42Å; L31-L34 PolarHBondContact O-N 2.9Å; L31-L34 VanDerWaalsContact O-N 3.14Å; L31-L35 PolarHBondContact O-N 2.9Å |
| 32 | L | 53.6 | Low | 53.4 | Low | 113 Ų | 113 | 122.5 Ų | 122.5 | 59% | 0.592 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.9 | -36.2 | 175.1 | -85.5 | 158.5 | 0 | 0 | 0 | 112.5 | L28 L34 | L28-L32 HydrophobicContact CD2-CD1 4.25Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 PolarHBondContact O-N 3.04Å; L32-L34 VanDerWaalsContact C-N 3.31Å |
| 33 | R | 52.4 | Low | 55.8 | Low | 208 Ų | 208 | 118 Ų | 118 | 79% | 0.785 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.4 | -29.9 | 173.2 | -76.7 | 176.7 | -176.2 | -152.6 | 1.3 | 112.7 | P29 I30 L31 | P29-R33 VanDerWaalsContact O-CG 3.25Å; P29-R33 WeakPolarHBondContact O-CG 3.32Å; P29-R33 PolarHBondContact O-N 3.25Å; I30-R33 PolarHBondContact O-N 3.38Å; L31-R33 VanDerWaalsContact C-N 3.33Å; L31-R33 PolarHBondContact O-N 3.42Å |
| 34 | L | 54.6 | Low | 57.9 | Low | 109 Ų | 109 | 112.2 Ų | 112.2 | 57% | 0.571 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -79.7 | -34.3 | 179.4 | -73.5 | 164.2 | 0 | 0 | 0 | 113 | I30 L31 L32 | I30-L34 HydrophobicContact CG2-CD1 4.04Å; I30-L34 WeakPolarHBondContact O-CG 3.44Å; I30-L34 PolarHBondContact O-N 2.8Å; L31-L34 PolarHBondContact O-N 2.9Å; L31-L34 VanDerWaalsContact O-N 3.14Å; L32-L34 VanDerWaalsContact C-N 3.31Å |
| 35 | L | 57.1 | Low | 60 | Low | 138 Ų | 138 | 112.3 Ų | 112.3 | 72% | 0.723 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -82.7 | -23 | -174.7 | -90.8 | 143.7 | 0 | 0 | 0 | 115 | L31 | L31-L35 PolarHBondContact O-N 2.9Å |
| 36 | C | 51 | Low | 62 | Low | 61 Ų | 61 | 113 Ų | 113 | 41% | 0.412 | 60% | 0.603 | S | S | . | * | trans | -122.6 | 69 | -176.2 | -75.3 | 0 | 0 | 0 | 0 | 112.7 | T38 L39 | C36-T38 PolarHBondContact O-N 3.18Å; C36-L39 HydrophobicContact CB-CB 4.48Å; C36-L39 HydrophobicContact CB-CD1 3.77Å; C36-L39 HydrophobicContact CB-CG 4.14Å | ||
| 37 | R | 56.4 | Low | 63.6 | Low | 218 Ų | 218 | 110.3 Ų | 110.3 | 82% | 0.823 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -72.3 | -14.3 | 168.8 | -70.8 | -173.4 | 176.4 | -140.8 | 0.9 | 113.7 | ||
| 38 | T | 63.7 | Low | 65.7 | Low | 134 Ų | 134 | 109.6 Ų | 109.6 | 82% | 0.822 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -99.1 | -7.4 | -173.7 | 50.2 | 0 | 0 | 0 | 0 | 114.6 | C36 | C36-T38 PolarHBondContact O-N 3.18Š|
| 39 | L | 62.1 | Low | 67.4 | Low | 118 Ų | 118 | 114 Ų | 114 | 62% | 0.618 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -81.9 | 133.2 | 175 | -69.4 | 174.5 | 0 | 0 | 0 | 109.5 | C36 | C36-L39 HydrophobicContact CB-CB 4.48Å; C36-L39 HydrophobicContact CB-CD1 3.77Å; C36-L39 HydrophobicContact CB-CG 4.14Å |
| 40 | P | 71.1 | Confident | 69 | Low | 106 Ų | 106 | 115.5 Ų | 115.5 | 69% | 0.688 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 146 | 173.5 | 22.5 | -30.4 | 0 | 0 | 0 | 110.2 | K42 | P40-K42 PolarHBondContact O-N 3.15Š|
| 41 | P | 67.6 | Low | 70.7 | Confident | 125 Ų | 125 | 119.1 Ų | 119.1 | 81% | 0.812 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 134.4 | 175.7 | 23.5 | -32.2 | 0 | 0 | 0 | 109.4 | ||
| 42 | K | 71.4 | Confident | 72.7 | Confident | 93 Ų | 93 | 121 Ų | 121 | 40% | 0.404 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 144.4 | 175.8 | -67.9 | -174.9 | 170.6 | -142.1 | 0 | 109.7 | P40 E46 E47 | P40-K42 PolarHBondContact O-N 3.15Å; K42-E46 WeakPolarHBondContact CD-OE1 3.03Å; K42-E46 WeakPolarHBondContact CE-OE1 3.48Å; K42-E46 IonicContact NZ-OE1 3.6Å; K42-E46 PolarHBondContact NZ-OE1 3.41Å; K42-E47 HydrophobicContact CB-CG 3.97Å |
| 43 | S | 83.5 | Confident | 74.5 | Confident | 67 Ų | 67 | 119.5 Ų | 119.5 | 47% | 0.469 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 146.3 | 175.5 | 72.8 | 0 | 0 | 0 | 0 | 110.2 | S45 E46 E47 | S43-S45 PolarHBondContact O-N 3.01Å; S43-S45 VanDerWaalsContact O-N 3.11Å; S43-E46 WeakPolarHBondContact O-CB 3.42Å; S43-E46 PolarHBondContact O-N 3.32Å; S43-E46 WeakPolarHBondContact OG-CB 3.22Å; S43-E46 PolarHBondContact OG-N 2.74Å; S43-E47 PolarHBondContact O-N 3.48Å; S43-E47 VanDerWaalsContact O-N 3.08Å |
| 44 | V | 86 | Confident | 76.3 | Confident | 105 Ų | 105 | 116.5 Ų | 116.5 | 64% | 0.636 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -54.3 | -34.4 | 177.8 | 177.8 | 0 | 0 | 0 | 0 | 111.5 | Q48 | V44-Q48 WeakPolarHBondContact O-CG 3.22Å; V44-Q48 PolarHBondContact O-N 2.95Å; V44-Q48 VanDerWaalsContact O-N 3.12Å |
| 45 | S | 86.7 | Confident | 78 | Confident | 88 Ų | 88 | 114 Ų | 114 | 62% | 0.615 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.9 | -42.4 | 175.8 | -179.6 | 0 | 0 | 0 | 0 | 112.7 | S43 Q48 R49 | S43-S45 PolarHBondContact O-N 3.01Å; S43-S45 VanDerWaalsContact O-N 3.11Å; S45-Q48 PolarHBondContact O-N 3.37Å; S45-R49 PolarHBondContact O-N 2.97Å |
| 46 | E | 85.4 | Confident | 79.8 | Confident | 87 Ų | 87 | 112.4 Ų | 112.4 | 41% | 0.407 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.4 | -42.2 | 176.8 | -170.4 | -166.5 | 148 | 0 | 0 | 111.5 | K42 S43 Q48 R49 Q50 | K42-E46 WeakPolarHBondContact CD-OE1 3.03Å; K42-E46 WeakPolarHBondContact CE-OE1 3.48Å; K42-E46 IonicContact NZ-OE1 3.6Å; K42-E46 PolarHBondContact NZ-OE1 3.41Å; S43-E46 WeakPolarHBondContact O-CB 3.42Å; S43-E46 PolarHBondContact O-N 3.32Å; S43-E46 WeakPolarHBondContact OG-CB 3.22Å; S43-E46 PolarHBondContact OG-N 2.74Å; E46-Q48 PolarHBondContact O-N 2.57Å; E46-R49 PolarHBondContact O-N 3.35Å; E46-Q50 WeakPolarHBondContact O-CB 3.4Å; E46-Q50 PolarHBondContact O-N 2.96Å |
| 47 | E | 85.2 | Confident | 81.8 | Confident | 82 Ų | 82 | 114.5 Ų | 114.5 | 38% | 0.383 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.6 | -41.2 | 177.1 | -69 | -167.2 | 172 | 0 | 0 | 112.3 | K42 S43 Q50 R51 | K42-E47 HydrophobicContact CB-CG 3.97Å; S43-E47 PolarHBondContact O-N 3.48Å; S43-E47 VanDerWaalsContact O-N 3.08Å; E47-Q50 PolarHBondContact O-N 3.48Å; E47-R51 VanDerWaalsContact O-CG 3.32Å; E47-R51 WeakPolarHBondContact O-CG 3.35Å; E47-R51 PolarHBondContact O-N 2.92Å |
| 48 | Q | 88.4 | Confident | 83.6 | Confident | 115 Ų | 115 | 108.3 Ų | 108.3 | 54% | 0.537 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.6 | -44.7 | 176.2 | -76.9 | 178.2 | -12.4 | 0 | 0 | 111.6 | V44 S45 E46 R51 Q52 | V44-Q48 WeakPolarHBondContact O-CG 3.22Å; V44-Q48 PolarHBondContact O-N 2.95Å; V44-Q48 VanDerWaalsContact O-N 3.12Å; S45-Q48 PolarHBondContact O-N 3.37Å; E46-Q48 PolarHBondContact O-N 2.57Å; Q48-R51 PolarHBondContact O-N 3.29Å; Q48-Q52 WeakPolarHBondContact O-CG 3.49Å; Q48-Q52 PolarHBondContact O-N 2.9Å |
| 49 | R | 85.9 | Confident | 85.1 | Confident | 166 Ų | 166 | 106 Ų | 106 | 63% | 0.626 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.5 | -46.6 | 176.2 | -177 | 178.8 | 172.3 | 173.4 | 2.2 | 111.4 | S45 E46 R51 Q52 E53 | S45-R49 PolarHBondContact O-N 2.97Å; E46-R49 PolarHBondContact O-N 3.35Å; R49-R51 VanDerWaalsContact C-N 3.31Å; R49-R51 PolarHBondContact O-N 3.36Å; R49-Q52 PolarHBondContact O-N 3.4Å; R49-E53 HydrophobicContact CG-CG 4.42Å; R49-E53 WeakPolarHBondContact CG-OE1 3.47Å; R49-E53 IonicContact CZ-OE1 2.77Å; R49-E53 IonicContact NE-OE1 3.59Å; R49-E53 PolarHBondContact NE-OE1 2.94Å; R49-E53 IonicContact NH2-OE1 2.72Å; R49-E53 PolarHBondContact NH2-OE1 3.37Å; R49-E53 WeakPolarHBondContact O-CG 3.37Å; R49-E53 PolarHBondContact O-N 3.44Å |
| 50 | Q | 85 | Confident | 86.6 | Confident | 103 Ų | 103 | 107 Ų | 107 | 48% | 0.481 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.9 | -37 | 178.6 | -169.4 | 175 | 7.8 | 0 | 0 | 112.1 | E46 E47 Y54 | E46-Q50 WeakPolarHBondContact O-CB 3.4Å; E46-Q50 PolarHBondContact O-N 2.96Å; E47-Q50 PolarHBondContact O-N 3.48Å; Q50-Y54 VanDerWaalsContact O-CB 3.22Å; Q50-Y54 WeakPolarHBondContact O-CB 3.33Å; Q50-Y54 PolarHBondContact O-N 2.93Å |
| 51 | R | 87.7 | Confident | 87.8 | Confident | 175 Ų | 175 | 104.4 Ų | 104.4 | 66% | 0.66 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.3 | -41.3 | 174.1 | -75.2 | 177.4 | -171.1 | -173.7 | 7.1 | 112.2 | E47 Q48 R49 A55 | E47-R51 VanDerWaalsContact O-CG 3.32Å; E47-R51 WeakPolarHBondContact O-CG 3.35Å; E47-R51 PolarHBondContact O-N 2.92Å; Q48-R51 PolarHBondContact O-N 3.29Å; R49-R51 VanDerWaalsContact C-N 3.31Å; R49-R51 PolarHBondContact O-N 3.36Å; R51-A55 WeakPolarHBondContact O-CB 3.47Å; R51-A55 PolarHBondContact O-N 3.3Å |
| 52 | Q | 91.3 | Very high | 89.1 | Confident | 129 Ų | 129 | 105.2 Ų | 105.2 | 60% | 0.603 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.9 | -50 | 176 | -71.7 | 174.6 | -8.6 | 0 | 0 | 111.1 | Q48 R49 Y54 A55 E56 | Q48-Q52 WeakPolarHBondContact O-CG 3.49Å; Q48-Q52 PolarHBondContact O-N 2.9Å; R49-Q52 PolarHBondContact O-N 3.4Å; Q52-Y54 VanDerWaalsContact C-N 3.32Å; Q52-Y54 PolarHBondContact O-N 3.48Å; Q52-A55 PolarHBondContact O-N 3.46Å; Q52-A55 VanDerWaalsContact O-N 3.15Å; Q52-E56 PolarHBondContact O-N 2.92Å |
| 53 | E | 91.8 | Very high | 90.2 | Very high | 83 Ų | 83 | 105.9 Ų | 105.9 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59 | -42.9 | 177.6 | -71.7 | 175.3 | -178.5 | 0 | 0 | 111.6 | R49 E56 I57 | R49-E53 HydrophobicContact CG-CG 4.42Å; R49-E53 WeakPolarHBondContact CG-OE1 3.47Å; R49-E53 IonicContact CZ-OE1 2.77Å; R49-E53 IonicContact NE-OE1 3.59Å; R49-E53 PolarHBondContact NE-OE1 2.94Å; R49-E53 IonicContact NH2-OE1 2.72Å; R49-E53 PolarHBondContact NH2-OE1 3.37Å; R49-E53 WeakPolarHBondContact O-CG 3.37Å; R49-E53 PolarHBondContact O-N 3.44Å; E53-E56 PolarHBondContact O-N 2.95Å; E53-I57 WeakPolarHBondContact O-CD1 3.48Å; E53-I57 VanDerWaalsContact O-CG1 3.22Å; E53-I57 WeakPolarHBondContact O-CG1 3.46Å; E53-I57 PolarHBondContact O-N 2.65Å |
| 54 | Y | 89.9 | Confident | 90.8 | Very high | 144 Ų | 144 | 109 Ų | 109 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.5 | -42.3 | 176.1 | -174.2 | -106.5 | 0 | 0 | 0 | 112.3 | Q50 Q52 E56 I57 L58 | Q50-Y54 VanDerWaalsContact O-CB 3.22Å; Q50-Y54 WeakPolarHBondContact O-CB 3.33Å; Q50-Y54 PolarHBondContact O-N 2.93Å; Q52-Y54 VanDerWaalsContact C-N 3.32Å; Q52-Y54 PolarHBondContact O-N 3.48Å; Y54-E56 PolarHBondContact O-N 2.86Å; Y54-I57 PolarHBondContact O-N 3.35Å; Y54-L58 HydrophobicContact CD1-CD1 3.8Å; Y54-L58 HydrophobicContact CD1-CG 4.25Å; Y54-L58 HydrophobicContact CE1-CD1 3.32Å; Y54-L58 HydrophobicContact CE1-CD2 4.42Å; Y54-L58 HydrophobicContact CE1-CG 3.92Å; Y54-L58 HydrophobicContact CE2-CD2 4.48Å; Y54-L58 HydrophobicContact CE2-CG 4.44Å; Y54-L58 WeakPolarHBondContact O-CG 3.4Å; Y54-L58 PolarHBondContact O-N 2.91Å |
| 55 | A | 91.5 | Very high | 91.2 | Very high | 57 Ų | 57 | 109.1 Ų | 109.1 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | R51 Q52 L58 E59 | R51-A55 WeakPolarHBondContact O-CB 3.47Å; R51-A55 PolarHBondContact O-N 3.3Å; Q52-A55 PolarHBondContact O-N 3.46Å; Q52-A55 VanDerWaalsContact O-N 3.15Å; A55-L58 PolarHBondContact O-N 2.8Å; A55-E59 PolarHBondContact O-N 3.18Å |
| 56 | E | 94 | Very high | 91.6 | Very high | 105 Ų | 105 | 109 Ų | 109 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 174.8 | -72.1 | -176.2 | -167.2 | 0 | 0 | 112.6 | Q52 E53 Y54 L58 E59 K60 | Q52-E56 PolarHBondContact O-N 2.92Å; E53-E56 PolarHBondContact O-N 2.95Å; Y54-E56 PolarHBondContact O-N 2.86Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-E59 PolarHBondContact O-N 3.37Å; E56-K60 WeakPolarHBondContact O-CB 3.23Å; E56-K60 WeakPolarHBondContact O-CG 3.44Å; E56-K60 PolarHBondContact O-N 2.91Å |
| 57 | I | 93.9 | Very high | 92.1 | Very high | 105 Ų | 105 | 110.6 Ų | 110.6 | 54% | 0.538 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 175.8 | -71.4 | 164.6 | 0 | 0 | 0 | 110 | E53 Y54 E59 K60 A61 | E53-I57 WeakPolarHBondContact O-CD1 3.48Å; E53-I57 VanDerWaalsContact O-CG1 3.22Å; E53-I57 WeakPolarHBondContact O-CG1 3.46Å; E53-I57 PolarHBondContact O-N 2.65Å; Y54-I57 PolarHBondContact O-N 3.35Å; I57-E59 VanDerWaalsContact C-N 3.35Å; I57-E59 PolarHBondContact O-N 2.98Å; I57-K60 PolarHBondContact O-N 3.41Å; I57-A61 WeakPolarHBondContact O-CB 3.44Å; I57-A61 PolarHBondContact O-N 3.21Å |
| 58 | L | 94.4 | Very high | 92.6 | Very high | 87 Ų | 87 | 110.6 Ų | 110.6 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 177 | -71.6 | -178 | 0 | 0 | 0 | 112.1 | Y54 A55 E56 A61 R62 | Y54-L58 HydrophobicContact CD1-CD1 3.8Å; Y54-L58 HydrophobicContact CD1-CG 4.25Å; Y54-L58 HydrophobicContact CE1-CD1 3.32Å; Y54-L58 HydrophobicContact CE1-CD2 4.42Å; Y54-L58 HydrophobicContact CE1-CG 3.92Å; Y54-L58 HydrophobicContact CE2-CD2 4.48Å; Y54-L58 HydrophobicContact CE2-CG 4.44Å; Y54-L58 WeakPolarHBondContact O-CG 3.4Å; Y54-L58 PolarHBondContact O-N 2.91Å; A55-L58 PolarHBondContact O-N 2.8Å; E56-L58 VanDerWaalsContact C-N 3.34Å; L58-A61 PolarHBondContact O-N 3.46Å; L58-R62 WeakPolarHBondContact O-CB 3.19Å; L58-R62 PolarHBondContact O-N 3.17Å |
| 59 | E | 94 | Very high | 93 | Very high | 85 Ų | 85 | 108.9 Ų | 108.9 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 177.7 | -164.5 | -165.4 | 155.9 | 0 | 0 | 111.9 | A55 E56 I57 R62 K63 | A55-E59 PolarHBondContact O-N 3.18Å; E56-E59 PolarHBondContact O-N 3.37Å; I57-E59 VanDerWaalsContact C-N 3.35Å; I57-E59 PolarHBondContact O-N 2.98Å; E59-R62 PolarHBondContact O-N 3.44Å; E59-K63 HydrophobicContact CG-CD 4.46Å; E59-K63 WeakPolarHBondContact O-CB 3.48Å; E59-K63 WeakPolarHBondContact O-CG 3.1Å; E59-K63 PolarHBondContact O-N 3.07Å; E59-K63 WeakPolarHBondContact OE1-CE 3.43Å; E59-K63 IonicContact OE1-NZ 2.93Å; E59-K63 PolarHBondContact OE1-NZ 3Å |
| 60 | K | 94.4 | Very high | 93.4 | Very high | 139 Ų | 139 | 106.5 Ų | 106.5 | 60% | 0.604 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.2 | -43.8 | 175.1 | -74.3 | 174.5 | -175.6 | 167.2 | 0 | 111.2 | E56 I57 K63 K64 | E56-K60 WeakPolarHBondContact O-CB 3.23Å; E56-K60 WeakPolarHBondContact O-CG 3.44Å; E56-K60 PolarHBondContact O-N 2.91Å; I57-K60 PolarHBondContact O-N 3.41Å; K60-K63 PolarHBondContact O-N 3.41Å; K60-K64 WeakPolarHBondContact O-CB 3.28Å; K60-K64 PolarHBondContact O-N 3.44Å |
| 61 | A | 95.1 | Very high | 94 | Very high | 52 Ų | 52 | 105.8 Ų | 105.8 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I57 L58 K63 K64 E65 | I57-A61 WeakPolarHBondContact O-CB 3.44Å; I57-A61 PolarHBondContact O-N 3.21Å; L58-A61 PolarHBondContact O-N 3.46Å; A61-K63 PolarHBondContact O-N 2.95Å; A61-K64 PolarHBondContact O-N 3.17Å; A61-E65 WeakPolarHBondContact O-CB 3.47Å; A61-E65 PolarHBondContact O-N 3.39Å |
| 62 | R | 95.1 | Very high | 94.3 | Very high | 143 Ų | 143 | 104 Ų | 104 | 54% | 0.54 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 176.7 | -172.2 | -176.7 | 69.8 | 161.3 | -0.8 | 112.3 | L58 E59 E65 Q66 | L58-R62 WeakPolarHBondContact O-CB 3.19Å; L58-R62 PolarHBondContact O-N 3.17Å; E59-R62 PolarHBondContact O-N 3.44Å; R62-E65 PolarHBondContact O-N 3.48Å; R62-Q66 WeakPolarHBondContact O-CB 3.28Å; R62-Q66 VanDerWaalsContact O-CG 3.28Å; R62-Q66 WeakPolarHBondContact O-CG 3.27Å; R62-Q66 PolarHBondContact O-N 2.85Å |
| 63 | K | 95.3 | Very high | 94.6 | Very high | 107 Ų | 107 | 103.4 Ų | 103.4 | 47% | 0.465 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 177.1 | -80.2 | 173 | 167.7 | 165.6 | 0 | 111.4 | E59 K60 A61 Q66 L67 | E59-K63 HydrophobicContact CG-CD 4.46Å; E59-K63 WeakPolarHBondContact O-CB 3.48Å; E59-K63 WeakPolarHBondContact O-CG 3.1Å; E59-K63 PolarHBondContact O-N 3.07Å; E59-K63 WeakPolarHBondContact OE1-CE 3.43Å; E59-K63 IonicContact OE1-NZ 2.93Å; E59-K63 PolarHBondContact OE1-NZ 3Å; K60-K63 PolarHBondContact O-N 3.41Å; A61-K63 PolarHBondContact O-N 2.95Å; K63-Q66 PolarHBondContact O-N 2.89Å; K63-L67 WeakPolarHBondContact O-CG 2.93Å; K63-L67 PolarHBondContact O-N 2.89Å |
| 64 | K | 95.2 | Very high | 94.8 | Very high | 133 Ų | 133 | 107.1 Ų | 107.1 | 58% | 0.578 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61 | -47.7 | 176 | -178.8 | 176.8 | 172.6 | 179.7 | 0 | 111.4 | K60 A61 Q66 L67 E68 | K60-K64 WeakPolarHBondContact O-CB 3.28Å; K60-K64 PolarHBondContact O-N 3.44Å; A61-K64 PolarHBondContact O-N 3.17Å; K64-Q66 VanDerWaalsContact C-N 3.33Å; K64-Q66 PolarHBondContact O-N 3.41Å; K64-L67 PolarHBondContact O-N 3.41Å; K64-E68 WeakPolarHBondContact CE-OE1 3.35Å; K64-E68 WeakPolarHBondContact O-CG 3.35Å; K64-E68 PolarHBondContact O-N 2.84Å |
| 65 | E | 95.1 | Very high | 95 | Very high | 107 Ų | 107 | 105 Ų | 105 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 178.5 | -168.8 | -176.6 | -169.5 | 0 | 0 | 111.9 | A61 R62 E68 M69 | A61-E65 WeakPolarHBondContact O-CB 3.47Å; A61-E65 PolarHBondContact O-N 3.39Å; R62-E65 PolarHBondContact O-N 3.48Å; E65-E68 PolarHBondContact O-N 3.09Å; E65-M69 HydrophobicContact CG-CE 4.14Å; E65-M69 WeakPolarHBondContact O-CB 3.31Å; E65-M69 VanDerWaalsContact O-CG 3.31Å; E65-M69 WeakPolarHBondContact O-CG 3.4Å; E65-M69 PolarHBondContact O-N 3.5Å |
| 66 | Q | 95.7 | Very high | 95.2 | Very high | 84 Ų | 84 | 106.7 Ų | 106.7 | 39% | 0.393 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 175.6 | -74.5 | 177.2 | 0.1 | 0 | 0 | 113.1 | R62 K63 K64 M69 K70 | R62-Q66 WeakPolarHBondContact O-CB 3.28Å; R62-Q66 VanDerWaalsContact O-CG 3.28Å; R62-Q66 WeakPolarHBondContact O-CG 3.27Å; R62-Q66 PolarHBondContact O-N 2.85Å; K63-Q66 PolarHBondContact O-N 2.89Å; K64-Q66 VanDerWaalsContact C-N 3.33Å; K64-Q66 PolarHBondContact O-N 3.41Å; Q66-M69 HydrophobicContact CG-CE 4.16Å; Q66-K70 WeakPolarHBondContact O-CG 3.38Å; Q66-K70 PolarHBondContact O-N 3.37Å |
| 67 | L | 95.7 | Very high | 95.4 | Very high | 121 Ų | 121 | 108.9 Ų | 108.9 | 63% | 0.634 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.9 | -44.8 | 176 | -71.4 | 171.5 | 0 | 0 | 0 | 111.1 | K63 K64 K70 Q71 | K63-L67 WeakPolarHBondContact O-CG 2.93Å; K63-L67 PolarHBondContact O-N 2.89Å; K64-L67 PolarHBondContact O-N 3.41Å; L67-K70 PolarHBondContact O-N 2.93Å; L67-Q71 WeakPolarHBondContact O-CB 3.48Å; L67-Q71 PolarHBondContact O-N 2.98Å |
| 68 | E | 95.7 | Very high | 95.4 | Very high | 83 Ų | 83 | 109.6 Ų | 109.6 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 176.2 | -70.8 | 175.4 | -177.2 | 0 | 0 | 112.1 | K64 E65 Q71 R72 | K64-E68 WeakPolarHBondContact CE-OE1 3.35Å; K64-E68 WeakPolarHBondContact O-CG 3.35Å; K64-E68 PolarHBondContact O-N 2.84Å; E65-E68 PolarHBondContact O-N 3.09Å; E68-Q71 PolarHBondContact O-N 3.42Å; E68-R72 WeakPolarHBondContact O-CB 3.49Å; E68-R72 WeakPolarHBondContact O-CG 3.36Å; E68-R72 PolarHBondContact O-N 2.88Å; E68-R72 PolarHBondContact O-NE 3.47Å |
| 69 | M | 95.4 | Very high | 95.4 | Very high | 78 Ų | 78 | 109.7 Ų | 109.7 | 38% | 0.384 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 172.9 | -77.3 | -169 | -70 | 0 | 0 | 111.9 | E65 Q66 Q71 R72 Q73 | E65-M69 HydrophobicContact CG-CE 4.14Å; E65-M69 WeakPolarHBondContact O-CB 3.31Å; E65-M69 VanDerWaalsContact O-CG 3.31Å; E65-M69 WeakPolarHBondContact O-CG 3.4Å; E65-M69 PolarHBondContact O-N 3.5Å; Q66-M69 HydrophobicContact CG-CE 4.16Å; M69-Q71 PolarHBondContact O-N 3.31Å; M69-R72 PolarHBondContact O-N 3.42Å; M69-Q73 WeakPolarHBondContact O-CB 3.41Å; M69-Q73 VanDerWaalsContact O-CG 3.31Å; M69-Q73 WeakPolarHBondContact O-CG 3.42Å; M69-Q73 PolarHBondContact O-N 3.05Å |
| 70 | K | 96 | Very high | 95.5 | Very high | 117 Ų | 117 | 109.4 Ų | 109.4 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 176.7 | -75.3 | 176.7 | -179.3 | 179 | 0 | 112.1 | Q66 L67 Q73 R74 | Q66-K70 WeakPolarHBondContact O-CG 3.38Å; Q66-K70 PolarHBondContact O-N 3.37Å; L67-K70 PolarHBondContact O-N 2.93Å; K70-Q73 PolarHBondContact O-N 3.38Å; K70-R74 WeakPolarHBondContact O-CG 3.44Å; K70-R74 PolarHBondContact O-N 3.27Å |
| 71 | Q | 95.9 | Very high | 95.6 | Very high | 87 Ų | 87 | 108.8 Ų | 108.8 | 41% | 0.407 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.9 | -48.7 | 177.3 | -176.8 | 59.3 | 22.5 | 0 | 0 | 111.2 | L67 E68 M69 Q73 R74 E75 | L67-Q71 WeakPolarHBondContact O-CB 3.48Å; L67-Q71 PolarHBondContact O-N 2.98Å; E68-Q71 PolarHBondContact O-N 3.42Å; M69-Q71 PolarHBondContact O-N 3.31Å; Q71-Q73 VanDerWaalsContact C-N 3.28Å; Q71-Q73 PolarHBondContact O-N 3.16Å; Q71-R74 WeakPolarHBondContact O-CB 3.27Å; Q71-R74 PolarHBondContact O-N 2.81Å; Q71-E75 WeakPolarHBondContact CG-OE1 3.47Å; Q71-E75 PolarHBondContact NE2-OE1 3.17Å; Q71-E75 PolarHBondContact O-N 2.85Å |
| 72 | R | 95.6 | Very high | 95.3 | Very high | 138 Ų | 138 | 113.9 Ų | 113.9 | 52% | 0.521 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.4 | -39.9 | 174.6 | -75.7 | -175.6 | -74.7 | -135.3 | -1.6 | 112.6 | E68 M69 L76 | E68-R72 WeakPolarHBondContact O-CB 3.49Å; E68-R72 WeakPolarHBondContact O-CG 3.36Å; E68-R72 PolarHBondContact O-N 2.88Å; E68-R72 PolarHBondContact O-NE 3.47Å; M69-R72 PolarHBondContact O-N 3.42Å; R72-L76 VanDerWaalsContact O-CB 3.27Å; R72-L76 WeakPolarHBondContact O-CB 3.31Å; R72-L76 PolarHBondContact O-N 2.94Å |
| 73 | Q | 96.5 | Very high | 95.3 | Very high | 117 Ų | 117 | 111.6 Ų | 111.6 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.3 | -35 | 175.9 | -76.2 | 177.5 | -4.5 | 0 | 0 | 113 | M69 K70 Q71 K77 | M69-Q73 WeakPolarHBondContact O-CB 3.41Å; M69-Q73 VanDerWaalsContact O-CG 3.31Å; M69-Q73 WeakPolarHBondContact O-CG 3.42Å; M69-Q73 PolarHBondContact O-N 3.05Å; K70-Q73 PolarHBondContact O-N 3.38Å; Q71-Q73 VanDerWaalsContact C-N 3.28Å; Q71-Q73 PolarHBondContact O-N 3.16Å; Q73-K77 WeakPolarHBondContact O-CB 3.26Å; Q73-K77 VanDerWaalsContact O-CG 3.26Å; Q73-K77 WeakPolarHBondContact O-CG 3.37Å; Q73-K77 PolarHBondContact O-N 3.13Å; Q73-K77 VanDerWaalsContact O-N 3.13Å |
| 74 | R | 96.1 | Very high | 95.3 | Very high | 161 Ų | 161 | 113.1 Ų | 113.1 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69 | -49.1 | 175.5 | -72.7 | 171.2 | 179.8 | -175.9 | -2.9 | 111 | K70 Q71 L76 K77 E78 | K70-R74 WeakPolarHBondContact O-CG 3.44Å; K70-R74 PolarHBondContact O-N 3.27Å; Q71-R74 WeakPolarHBondContact O-CB 3.27Å; Q71-R74 PolarHBondContact O-N 2.81Å; R74-L76 VanDerWaalsContact C-N 3.32Å; R74-L76 PolarHBondContact O-N 3.04Å; R74-K77 PolarHBondContact O-N 3.4Å; R74-K77 VanDerWaalsContact O-N 3.17Å; R74-E78 WeakPolarHBondContact O-CG 3.41Å; R74-E78 PolarHBondContact O-N 3.32Å |
| 75 | E | 95.2 | Very high | 95.1 | Very high | 98 Ų | 98 | 112.2 Ų | 112.2 | 46% | 0.458 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 177.6 | -71.7 | 168.7 | -174 | 0 | 0 | 111.7 | Q71 E78 Q79 | Q71-E75 WeakPolarHBondContact CG-OE1 3.47Å; Q71-E75 PolarHBondContact NE2-OE1 3.17Å; Q71-E75 PolarHBondContact O-N 2.85Å; E75-E78 PolarHBondContact O-N 2.96Å; E75-Q79 WeakPolarHBondContact O-CB 3.45Å; E75-Q79 PolarHBondContact O-N 2.95Å |
| 76 | L | 96 | Very high | 95 | Very high | 94 Ų | 94 | 111 Ų | 111 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 176.4 | -177.1 | 63 | 0 | 0 | 0 | 111.9 | R72 R74 E78 Q79 L80 | R72-L76 VanDerWaalsContact O-CB 3.27Å; R72-L76 WeakPolarHBondContact O-CB 3.31Å; R72-L76 PolarHBondContact O-N 2.94Å; R74-L76 VanDerWaalsContact C-N 3.32Å; R74-L76 PolarHBondContact O-N 3.04Å; L76-E78 VanDerWaalsContact C-N 3.34Å; L76-E78 PolarHBondContact O-N 2.89Å; L76-Q79 PolarHBondContact O-N 3.31Å; L76-L80 HydrophobicContact CD1-CG 4.45Å; L76-L80 HydrophobicContact CG-CD1 4.21Å; L76-L80 WeakPolarHBondContact O-CB 3.32Å; L76-L80 WeakPolarHBondContact O-CG 3.49Å; L76-L80 PolarHBondContact O-N 3.49Å |
| 77 | K | 96.8 | Very high | 95 | Very high | 150 Ų | 150 | 110.9 Ų | 110.9 | 65% | 0.652 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.3 | -40.1 | 176.1 | -77.4 | 176.1 | 178.9 | -174.8 | 0 | 112.2 | Q73 R74 K81 | Q73-K77 WeakPolarHBondContact O-CB 3.26Å; Q73-K77 VanDerWaalsContact O-CG 3.26Å; Q73-K77 WeakPolarHBondContact O-CG 3.37Å; Q73-K77 PolarHBondContact O-N 3.13Å; Q73-K77 VanDerWaalsContact O-N 3.13Å; R74-K77 PolarHBondContact O-N 3.4Å; R74-K77 VanDerWaalsContact O-N 3.17Å; K77-K81 WeakPolarHBondContact O-CB 3.48Å; K77-K81 PolarHBondContact O-N 2.86Å |
| 78 | E | 94.8 | Very high | 95 | Very high | 121 Ų | 121 | 107.8 Ų | 107.8 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.9 | -35.6 | 176.2 | -72.2 | 174.7 | -176.8 | 0 | 0 | 112.2 | R74 E75 L76 R82 | R74-E78 WeakPolarHBondContact O-CG 3.41Å; R74-E78 PolarHBondContact O-N 3.32Å; E75-E78 PolarHBondContact O-N 2.96Å; L76-E78 VanDerWaalsContact C-N 3.34Å; L76-E78 PolarHBondContact O-N 2.89Å; E78-R82 WeakPolarHBondContact O-CG 3.44Å; E78-R82 PolarHBondContact O-N 2.91Å; E78-R82 VanDerWaalsContact O-N 3.12Å; E78-R82 PolarHBondContact O-NE 3.08Å |
| 79 | Q | 94.2 | Very high | 94.9 | Very high | 88 Ų | 88 | 104.8 Ų | 104.8 | 41% | 0.411 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -51.5 | 172.4 | -178.4 | 179.4 | -6.3 | 0 | 0 | 111.3 | E75 L76 K81 R82 E83 | E75-Q79 WeakPolarHBondContact O-CB 3.45Å; E75-Q79 PolarHBondContact O-N 2.95Å; L76-Q79 PolarHBondContact O-N 3.31Å; Q79-K81 VanDerWaalsContact C-N 3.3Å; Q79-K81 PolarHBondContact O-N 3.03Å; Q79-R82 WeakPolarHBondContact O-CB 3.34Å; Q79-R82 PolarHBondContact O-N 3.34Å; Q79-E83 HydrophobicContact CG-CG 4.49Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.38Å; Q79-E83 PolarHBondContact NE2-OE1 2.87Å; Q79-E83 PolarHBondContact O-N 3.12Å |
| 80 | L | 96 | Very high | 95 | Very high | 79 Ų | 79 | 103 Ų | 103 | 41% | 0.414 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.9 | -43.3 | 178.5 | -72.1 | 171.1 | 0 | 0 | 0 | 111.5 | L76 R82 E83 E84 | L76-L80 HydrophobicContact CD1-CG 4.45Å; L76-L80 HydrophobicContact CG-CD1 4.21Å; L76-L80 WeakPolarHBondContact O-CB 3.32Å; L76-L80 WeakPolarHBondContact O-CG 3.49Å; L76-L80 PolarHBondContact O-N 3.49Å; L80-R82 VanDerWaalsContact C-N 3.3Å; L80-R82 PolarHBondContact O-N 3Å; L80-E83 PolarHBondContact O-N 3.36Å; L80-E84 WeakPolarHBondContact O-CB 3.37Å; L80-E84 WeakPolarHBondContact O-CG 3.29Å; L80-E84 PolarHBondContact O-N 3.42Å |
| 81 | K | 95.5 | Very high | 95 | Very high | 127 Ų | 127 | 103.2 Ų | 103.2 | 55% | 0.552 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.8 | -40.1 | 175.4 | -174.7 | 179.2 | 179.2 | -176.8 | 0 | 112.3 | K77 Q79 Q85 | K77-K81 WeakPolarHBondContact O-CB 3.48Å; K77-K81 PolarHBondContact O-N 2.86Å; Q79-K81 VanDerWaalsContact C-N 3.3Å; Q79-K81 PolarHBondContact O-N 3.03Å; K81-Q85 WeakPolarHBondContact O-CB 3.39Å; K81-Q85 WeakPolarHBondContact O-CG 3.37Å; K81-Q85 PolarHBondContact O-N 2.83Å |
| 82 | R | 90.4 | Very high | 95.1 | Very high | 159 Ų | 159 | 101.1 Ų | 101.1 | 60% | 0.6 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.6 | -41.2 | 176.4 | -76.3 | -177.3 | -70.8 | 160.9 | -3.3 | 111.8 | E78 Q79 L80 Q85 L86 | E78-R82 WeakPolarHBondContact O-CG 3.44Å; E78-R82 PolarHBondContact O-N 2.91Å; E78-R82 VanDerWaalsContact O-N 3.12Å; E78-R82 PolarHBondContact O-NE 3.08Å; Q79-R82 WeakPolarHBondContact O-CB 3.34Å; Q79-R82 PolarHBondContact O-N 3.34Å; L80-R82 VanDerWaalsContact C-N 3.3Å; L80-R82 PolarHBondContact O-N 3Å; R82-Q85 PolarHBondContact O-N 2.86Å; R82-L86 WeakPolarHBondContact O-CB 3.35Å; R82-L86 PolarHBondContact O-N 2.76Å |
| 83 | E | 93.7 | Very high | 95.2 | Very high | 95 Ų | 95 | 94.6 Ų | 94.6 | 44% | 0.444 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 177 | -71.4 | 174.3 | -171.1 | 0 | 0 | 111.8 | Q79 L80 L86 S87 | Q79-E83 HydrophobicContact CG-CG 4.49Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.38Å; Q79-E83 PolarHBondContact NE2-OE1 2.87Å; Q79-E83 PolarHBondContact O-N 3.12Å; L80-E83 PolarHBondContact O-N 3.36Å; E83-L86 PolarHBondContact O-N 3.22Å; E83-S87 VanDerWaalsContact O-CB 3.29Å; E83-S87 WeakPolarHBondContact O-CB 3.47Å; E83-S87 PolarHBondContact O-N 3.02Å |
| 84 | E | 95.1 | Very high | 95.2 | Very high | 138 Ų | 138 | 91.4 Ų | 91.4 | 65% | 0.645 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.7 | -44.9 | 174 | -74.4 | 174.8 | 174.3 | 0 | 0 | 111.8 | L80 L86 S87 A88 | L80-E84 WeakPolarHBondContact O-CB 3.37Å; L80-E84 WeakPolarHBondContact O-CG 3.29Å; L80-E84 PolarHBondContact O-N 3.42Å; E84-L86 VanDerWaalsContact C-N 3.35Å; E84-S87 PolarHBondContact O-N 3.42Å; E84-A88 WeakPolarHBondContact O-CB 3.32Å; E84-A88 PolarHBondContact O-N 3.36Å |
| 85 | Q | 92.6 | Very high | 95.2 | Very high | 114 Ų | 114 | 89.8 Ų | 89.8 | 53% | 0.533 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 175.4 | -76.5 | 175.3 | -15.6 | 0 | 0 | 111.9 | K81 R82 S89 | K81-Q85 WeakPolarHBondContact O-CB 3.39Å; K81-Q85 WeakPolarHBondContact O-CG 3.37Å; K81-Q85 PolarHBondContact O-N 2.83Å; R82-Q85 PolarHBondContact O-N 2.86Å; Q85-S89 VanDerWaalsContact O-CB 3.3Å; Q85-S89 WeakPolarHBondContact O-CB 3.2Å; Q85-S89 PolarHBondContact O-N 3.37Å |
| 86 | L | 92.4 | Very high | 95.3 | Very high | 82 Ų | 82 | 89.1 Ų | 89.1 | 43% | 0.429 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.8 | -46.8 | 176.5 | -176.8 | 62.2 | 0 | 0 | 0 | 110.8 | R82 E83 E84 A88 S89 V90 P119 | R82-L86 WeakPolarHBondContact O-CB 3.35Å; R82-L86 PolarHBondContact O-N 2.76Å; E83-L86 PolarHBondContact O-N 3.22Å; E84-L86 VanDerWaalsContact C-N 3.35Å; L86-A88 PolarHBondContact O-N 3.35Å; L86-S89 WeakPolarHBondContact O-CB 3.39Å; L86-S89 PolarHBondContact O-N 3.02Å; L86-V90 HydrophobicContact CD1-CG2 4.45Å; L86-V90 HydrophobicContact CG-CG2 4.48Å; L86-V90 VanDerWaalsContact O-CG2 3.28Å; L86-V90 WeakPolarHBondContact O-CG2 3.29Å; L86-V90 PolarHBondContact O-N 2.9Å; L86-P119 HydrophobicContact CD1-CB 3.8Å; L86-P119 HydrophobicContact CD1-CG 4.2Å |
| 87 | S | 95.1 | Very high | 95.4 | Very high | 81 Ų | 81 | 84.7 Ų | 84.7 | 57% | 0.566 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.9 | -44.1 | 178.6 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | E83 E84 V90 K91 | E83-S87 VanDerWaalsContact O-CB 3.29Å; E83-S87 WeakPolarHBondContact O-CB 3.47Å; E83-S87 PolarHBondContact O-N 3.02Å; E84-S87 PolarHBondContact O-N 3.42Å; S87-V90 PolarHBondContact O-N 3.37Å; S87-K91 PolarHBondContact O-N 3.39Å |
| 88 | A | 95.2 | Very high | 95.4 | Very high | 57 Ų | 57 | 79.1 Ų | 79.1 | 47% | 0.471 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E84 L86 K91 E92 | E84-A88 WeakPolarHBondContact O-CB 3.32Å; E84-A88 PolarHBondContact O-N 3.36Å; L86-A88 PolarHBondContact O-N 3.35Å; A88-K91 PolarHBondContact O-N 3.19Å; A88-E92 WeakPolarHBondContact O-CB 3.38Å; A88-E92 PolarHBondContact O-N 3.1Å |
| 89 | S | 94.9 | Very high | 95.6 | Very high | 20 Ų | 20 | 77.2 Ų | 77.2 | 14% | 0.14 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 177 | -176.2 | 0 | 0 | 0 | 0 | 111.8 | Q85 L86 K91 E92 W93 P119 | Q85-S89 VanDerWaalsContact O-CB 3.3Å; Q85-S89 WeakPolarHBondContact O-CB 3.2Å; Q85-S89 PolarHBondContact O-N 3.37Å; L86-S89 WeakPolarHBondContact O-CB 3.39Å; L86-S89 PolarHBondContact O-N 3.02Å; S89-K91 VanDerWaalsContact C-N 3.31Å; S89-K91 PolarHBondContact O-N 2.92Å; S89-E92 PolarHBondContact O-N 3.17Å; S89-W93 WeakPolarHBondContact O-CB 3.3Å; S89-W93 PolarHBondContact O-N 3.07Å; S89-P119 VanDerWaalsContact OG-CG 3.29Å; S89-P119 WeakPolarHBondContact OG-CG 3.3Å |
| 90 | V | 96.6 | Very high | 95.7 | Very high | 40 Ų | 40 | 77.5 Ų | 77.5 | 24% | 0.242 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57.6 | -45 | 175.7 | 170 | 0 | 0 | 0 | 0 | 111 | L86 S87 S94 P119 | L86-V90 HydrophobicContact CD1-CG2 4.45Å; L86-V90 HydrophobicContact CG-CG2 4.48Å; L86-V90 VanDerWaalsContact O-CG2 3.28Å; L86-V90 WeakPolarHBondContact O-CG2 3.29Å; L86-V90 PolarHBondContact O-N 2.9Å; S87-V90 PolarHBondContact O-N 3.37Å; V90-S94 WeakPolarHBondContact O-CB 3.08Å; V90-S94 PolarHBondContact O-N 3.23Å; V90-S94 PolarHBondContact O-OG 3.15Å; V90-P119 HydrophobicContact CG2-CB 3.46Å; V90-P119 VanDerWaalsContact CG2-CB 3.46Å; V90-P119 HydrophobicContact CG2-CG 3.91Å |
| 91 | K | 97 | Very high | 95.7 | Very high | 122 Ų | 122 | 74.7 Ų | 74.7 | 53% | 0.53 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.3 | -48 | 178.4 | -172.2 | -175.7 | 176.1 | -175.3 | 0 | 111.4 | S87 A88 S89 S94 Q95 | S87-K91 PolarHBondContact O-N 3.39Å; A88-K91 PolarHBondContact O-N 3.19Å; S89-K91 VanDerWaalsContact C-N 3.31Å; S89-K91 PolarHBondContact O-N 2.92Å; K91-S94 PolarHBondContact O-N 2.85Å; K91-Q95 HydrophobicContact CG-CG 4.25Å; K91-Q95 VanDerWaalsContact O-CB 3.26Å; K91-Q95 WeakPolarHBondContact O-CB 3.44Å; K91-Q95 WeakPolarHBondContact O-CG 3.48Å; K91-Q95 PolarHBondContact O-N 2.98Å |
| 92 | E | 96.5 | Very high | 95.7 | Very high | 43 Ų | 43 | 74.7 Ų | 74.7 | 20% | 0.201 | 38% | 0.383 | C | S | . | . | I | π-helix | trans | -59.7 | -48.5 | 178.7 | -174.7 | 174.3 | -175.2 | 0 | 0 | 111.4 | A88 S89 E96 I97 R109 L113 | A88-E92 WeakPolarHBondContact O-CB 3.38Å; A88-E92 PolarHBondContact O-N 3.1Å; S89-E92 PolarHBondContact O-N 3.17Å; E92-E96 WeakPolarHBondContact O-CB 3.5Å; E92-E96 PolarHBondContact O-N 2.82Å; E92-I97 HydrophobicContact CG-CD1 4.11Å; E92-I97 PolarHBondContact O-N 3.46Å; E92-I97 VanDerWaalsContact O-N 3.1Å; E92-R109 VanDerWaalsContact CD-NH2 3.32Å; E92-R109 IonicContact OE1-CZ 2.82Å; E92-R109 IonicContact OE1-NE 3.26Å; E92-R109 PolarHBondContact OE1-NE 3.16Å; E92-R109 IonicContact OE1-NH2 3.57Å; E92-R109 PolarHBondContact OE1-NH2 2.93Å; E92-L113 HydrophobicContact CG-CD2 4.05Å |
| 93 | W | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | I | π-helix | trans | -62 | -47.3 | 176.8 | -82.6 | 104.1 | 0 | 0 | 0 | 112.7 | S89 I97 L98 W101 V110 L113 W114 L118 V122 V126 | S89-W93 WeakPolarHBondContact O-CB 3.3Å; S89-W93 PolarHBondContact O-N 3.07Å; W93-I97 HydrophobicContact CD2-CD1 3.79Å; W93-I97 HydrophobicContact CE3-CB 3.95Å; W93-I97 HydrophobicContact CE3-CD1 3.85Å; W93-I97 HydrophobicContact CE3-CG2 3.73Å; W93-I97 HydrophobicContact CG-CD1 4.24Å; W93-I97 HydrophobicContact CH2-CD1 4.42Å; W93-I97 HydrophobicContact CH2-CG2 4.47Å; W93-I97 HydrophobicContact CZ2-CD1 4.35Å; W93-I97 HydrophobicContact CZ3-CB 4.33Å; W93-I97 HydrophobicContact CZ3-CD1 4.18Å; W93-I97 HydrophobicContact CZ3-CG2 3.6Å; W93-L98 WeakPolarHBondContact O-CB 3.33Å; W93-L98 VanDerWaalsContact O-CG 3.31Å; W93-L98 WeakPolarHBondContact O-CG 3.49Å; W93-L98 PolarHBondContact O-N 3.13Å; W93-W101 HydrophobicContact CZ3-CZ3 4.13Å; W93-V110 HydrophobicContact CH2-CG1 3.83Å; W93-V110 HydrophobicContact CZ3-CG1 4.3Å; W93-L113 HydrophobicContact CD2-CD2 4.47Å; W93-L113 HydrophobicContact CZ2-CD2 4.11Å; W93-L113 HydrophobicContact CZ2-CG 4.18Å; W93-L113 VanDerWaalsContact NE1-CD2 3.34Å; W93-W114 HydrophobicContact CH2-CB 3.97Å; W93-W114 AromaticContact CH2-CD2 3.98Å; W93-W114 HydrophobicContact CH2-CD2 3.98Å; W93-W114 AromaticContact CH2-CE3 3.97Å; W93-W114 HydrophobicContact CH2-CE3 3.97Å; W93-W114 HydrophobicContact CH2-CG 4.02Å; W93-W114 HydrophobicContact CZ2-CB 3.83Å; W93-W114 HydrophobicContact CZ2-CG 4.16Å; W93-L118 HydrophobicContact CD2-CD2 4.11Å; W93-L118 HydrophobicContact CE3-CD2 4.36Å; W93-L118 HydrophobicContact CH2-CD2 3.61Å; W93-L118 HydrophobicContact CZ2-CD2 3.3Å; W93-L118 HydrophobicContact CZ3-CD2 4.12Å; W93-V122 HydrophobicContact CB-CB 4.4Å; W93-V122 HydrophobicContact CB-CG1 4.03Å; W93-V122 HydrophobicContact CB-CG2 4.09Å; W93-V122 HydrophobicContact CG-CG2 4.12Å; W93-V126 HydrophobicContact CE3-CG2 4Å; W93-V126 HydrophobicContact CZ3-CG2 4.03Å |
| 94 | S | 97.2 | Very high | 96.2 | Very high | 51 Ų | 51 | 71.6 Ų | 71.6 | 36% | 0.357 | 38% | 0.376 | S | S | . | . | I | π-helix | trans | -78.1 | -35.6 | -171.5 | -51.4 | 0 | 0 | 0 | 0 | 113.3 | V90 K91 P99 | V90-S94 WeakPolarHBondContact O-CB 3.08Å; V90-S94 PolarHBondContact O-N 3.23Å; V90-S94 PolarHBondContact O-OG 3.15Å; K91-S94 PolarHBondContact O-N 2.85Å; S94-P99 WeakPolarHBondContact O-CD 3.48Å |
| 95 | Q | 96.7 | Very high | 96.1 | Very high | 126 Ų | 126 | 68.7 Ų | 68.7 | 59% | 0.589 | 36% | 0.362 | S | S | * | . | I | π-helix | trans | -101 | -27.6 | -172.2 | -59.1 | -176.7 | -5 | 0 | 0 | 113.4 | K91 | K91-Q95 HydrophobicContact CG-CG 4.25Å; K91-Q95 VanDerWaalsContact O-CB 3.26Å; K91-Q95 WeakPolarHBondContact O-CB 3.44Å; K91-Q95 WeakPolarHBondContact O-CG 3.48Å; K91-Q95 PolarHBondContact O-N 2.98Å |
| 96 | E | 96.3 | Very high | 96.2 | Very high | 85 Ų | 85 | 67 Ų | 67 | 40% | 0.397 | 36% | 0.363 | S | S | . | . | I | π-helix | trans | -108.1 | -53.9 | -177.2 | -57.2 | 179.8 | -164.2 | 0 | 0 | 111.6 | E92 H100 L104 R109 | E92-E96 WeakPolarHBondContact O-CB 3.5Å; E92-E96 PolarHBondContact O-N 2.82Å; E96-H100 PolarHBondContact O-ND1 3.22Å; E96-L104 WeakPolarHBondContact O-CD1 3.21Å; E96-R109 IonicContact OE2-CZ 3.15Å; E96-R109 IonicContact OE2-NH1 3.08Å; E96-R109 PolarHBondContact OE2-NH1 3.48Å; E96-R109 IonicContact OE2-NH2 2.75Å; E96-R109 PolarHBondContact OE2-NH2 3.24Å |
| 97 | I | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | I | π-helix | trans | -78.3 | -55 | -167.9 | -57.8 | 170.3 | 0 | 0 | 0 | 112.1 | E92 W93 H100 W101 V110 L113 | E92-I97 HydrophobicContact CG-CD1 4.11Å; E92-I97 PolarHBondContact O-N 3.46Å; E92-I97 VanDerWaalsContact O-N 3.1Å; W93-I97 HydrophobicContact CD2-CD1 3.79Å; W93-I97 HydrophobicContact CE3-CB 3.95Å; W93-I97 HydrophobicContact CE3-CD1 3.85Å; W93-I97 HydrophobicContact CE3-CG2 3.73Å; W93-I97 HydrophobicContact CG-CD1 4.24Å; W93-I97 HydrophobicContact CH2-CD1 4.42Å; W93-I97 HydrophobicContact CH2-CG2 4.47Å; W93-I97 HydrophobicContact CZ2-CD1 4.35Å; W93-I97 HydrophobicContact CZ3-CB 4.33Å; W93-I97 HydrophobicContact CZ3-CD1 4.18Å; W93-I97 HydrophobicContact CZ3-CG2 3.6Å; I97-H100 CarbonylContact O-C 3.2Å; I97-H100 VanDerWaalsContact O-C 3.24Å; I97-H100 PolarHBondContact O-N 2.9Å; I97-W101 HydrophobicContact CG2-CE3 4.36Å; I97-W101 VanDerWaalsContact O-CA 3.29Å; I97-W101 WeakPolarHBondContact O-CA 3.4Å; I97-W101 PolarHBondContact O-N 2.94Å; I97-V110 HydrophobicContact CD1-CG1 4.43Å; I97-V110 HydrophobicContact CD1-CG2 3.91Å; I97-V110 HydrophobicContact CG1-CG2 3.99Å; I97-V110 HydrophobicContact CG2-CG1 4.09Å; I97-V110 HydrophobicContact CG2-CG2 4.17Å; I97-L113 HydrophobicContact CD1-CD2 3.58Å |
| 98 | L | 98 | Very high | 96.5 | Very high | 33 Ų | 33 | 69 Ų | 69 | 17% | 0.173 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -40.8 | -176.1 | -77 | 174.6 | 0 | 0 | 0 | 113.6 | W93 H100 W101 V122 R125 V126 L129 | W93-L98 WeakPolarHBondContact O-CB 3.33Å; W93-L98 VanDerWaalsContact O-CG 3.31Å; W93-L98 WeakPolarHBondContact O-CG 3.49Å; W93-L98 PolarHBondContact O-N 3.13Å; L98-H100 VanDerWaalsContact C-N 3.28Å; L98-H100 PolarHBondContact O-N 3.27Å; L98-W101 HydrophobicContact CD2-CE3 4.45Å; L98-W101 PolarHBondContact O-N 2.73Å; L98-V122 HydrophobicContact CD1-CB 4.43Å; L98-R125 HydrophobicContact CD1-CB 4.18Å; L98-R125 HydrophobicContact CD1-CG 3.88Å; L98-R125 HydrophobicContact CD2-CB 4.44Å; L98-R125 HydrophobicContact CD2-CG 3.75Å; L98-R125 HydrophobicContact CG-CG 4.41Å; L98-V126 HydrophobicContact CD2-CG2 3.85Å; L98-L129 HydrophobicContact CD2-CD1 3.74Å |
| 99 | P | 97.7 | Very high | 96.5 | Very high | 82 Ų | 82 | 71.9 Ų | 71.9 | 53% | 0.532 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -31.9 | 175.7 | -26.2 | 37.6 | 0 | 0 | 0 | 113.8 | S94 | S94-P99 WeakPolarHBondContact O-CD 3.48Š|
| 100 | H | 97.2 | Very high | 96.6 | Very high | 94 Ų | 94 | 71 Ų | 71 | 44% | 0.435 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 34.7 | -179.3 | -50.5 | 92.3 | 0 | 0 | 0 | 111.6 | E96 I97 L98 N102 E103 L104 | E96-H100 PolarHBondContact O-ND1 3.22Å; I97-H100 CarbonylContact O-C 3.2Å; I97-H100 VanDerWaalsContact O-C 3.24Å; I97-H100 PolarHBondContact O-N 2.9Å; L98-H100 VanDerWaalsContact C-N 3.28Å; L98-H100 PolarHBondContact O-N 3.27Å; H100-N102 VanDerWaalsContact C-N 3.35Å; H100-N102 PolarHBondContact O-N 3.2Å; H100-E103 PolarHBondContact O-N 2.95Å; H100-E103 VanDerWaalsContact O-N 3.09Å; H100-L104 HydrophobicContact CB-CD1 3.84Å; H100-L104 HydrophobicContact CB-CG 4.04Å; H100-L104 PolarHBondContact O-N 3.37Å |
| 101 | W | 96.6 | Very high | 96.5 | Very high | 19 Ų | 19 | 73.6 Ų | 73.6 | 7% | 0.072 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -50.8 | -49.3 | -169.6 | 171.4 | -108.9 | 0 | 0 | 0 | 113.6 | W93 I97 L98 E103 L104 K105 W114 V126 L129 | W93-W101 HydrophobicContact CZ3-CZ3 4.13Å; I97-W101 HydrophobicContact CG2-CE3 4.36Å; I97-W101 VanDerWaalsContact O-CA 3.29Å; I97-W101 WeakPolarHBondContact O-CA 3.4Å; I97-W101 PolarHBondContact O-N 2.94Å; L98-W101 HydrophobicContact CD2-CE3 4.45Å; L98-W101 PolarHBondContact O-N 2.73Å; W101-E103 PolarHBondContact O-N 3.28Å; W101-L104 PolarHBondContact O-N 2.89Å; W101-K105 HydrophobicContact CD2-CB 3.94Å; W101-K105 HydrophobicContact CD2-CD 4.29Å; W101-K105 HydrophobicContact CE3-CB 4.01Å; W101-K105 HydrophobicContact CG-CD 4.49Å; W101-K105 HydrophobicContact CH2-CB 4.12Å; W101-K105 HydrophobicContact CZ2-CB 4.03Å; W101-K105 HydrophobicContact CZ2-CD 4.12Å; W101-K105 HydrophobicContact CZ3-CB 4.1Å; W101-K105 WeakPolarHBondContact O-CB 3.28Å; W101-K105 VanDerWaalsContact O-CG 3.3Å; W101-K105 WeakPolarHBondContact O-CG 3.29Å; W101-K105 PolarHBondContact O-N 2.88Å; W101-W114 HydrophobicContact CH2-CE3 4.47Å; W101-W114 AromaticContact CH2-CH2 3.62Å; W101-W114 HydrophobicContact CH2-CH2 3.62Å; W101-W114 AromaticContact CH2-CZ3 3.46Å; W101-W114 HydrophobicContact CH2-CZ3 3.46Å; W101-W114 VanDerWaalsContact CH2-CZ3 3.46Å; W101-W114 HydrophobicContact CZ2-CH2 4.41Å; W101-W114 HydrophobicContact CZ2-CZ3 4.39Å; W101-W114 HydrophobicContact CZ3-CZ3 4.11Å; W101-V126 HydrophobicContact CH2-CG1 3.91Å; W101-V126 HydrophobicContact CZ3-CG1 4.17Å; W101-L129 HydrophobicContact CB-CD1 4.27Å; W101-L129 HydrophobicContact CD2-CB 4.33Å; W101-L129 HydrophobicContact CD2-CD1 3.87Å; W101-L129 HydrophobicContact CE3-CD1 4.34Å; W101-L129 HydrophobicContact CG-CD1 3.82Å; W101-L129 HydrophobicContact CZ2-CB 3.92Å |
| 102 | N | 95.5 | Very high | 96.4 | Very high | 127 Ų | 127 | 72.4 Ų | 72.4 | 68% | 0.679 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.5 | -30.5 | -175 | -71.4 | -38.4 | 0 | 0 | 0 | 113 | H100 | H100-N102 VanDerWaalsContact C-N 3.35Å; H100-N102 PolarHBondContact O-N 3.2Å |
| 103 | E | 96.5 | Very high | 96.3 | Very high | 147 Ų | 147 | 71.9 Ų | 71.9 | 69% | 0.687 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -83.5 | -40.4 | 179 | -62.4 | 171.8 | -163 | 0 | 0 | 111.3 | H100 W101 | H100-E103 PolarHBondContact O-N 2.95Å; H100-E103 VanDerWaalsContact O-N 3.09Å; W101-E103 PolarHBondContact O-N 3.28Å |
| 104 | L | 96.9 | Very high | 96.2 | Very high | 43 Ų | 43 | 72.1 Ų | 72.1 | 23% | 0.225 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -94.3 | -26.3 | -168.1 | -65.1 | -177.6 | 0 | 0 | 0 | 114.7 | E96 H100 W101 S106 T107 V110 | E96-L104 WeakPolarHBondContact O-CD1 3.21Å; H100-L104 HydrophobicContact CB-CD1 3.84Å; H100-L104 HydrophobicContact CB-CG 4.04Å; H100-L104 PolarHBondContact O-N 3.37Å; W101-L104 PolarHBondContact O-N 2.89Å; L104-S106 PolarHBondContact O-N 3.3Å; L104-T107 HydrophobicContact CD2-CG2 4.21Å; L104-T107 WeakPolarHBondContact O-CB 3.5Å; L104-T107 WeakPolarHBondContact O-CG2 3.3Å; L104-T107 PolarHBondContact O-N 3.12Å; L104-T107 PolarHBondContact O-OG1 3.27Å; L104-V110 HydrophobicContact CB-CG2 4.13Å; L104-V110 WeakPolarHBondContact O-CB 3.47Å; L104-V110 WeakPolarHBondContact O-CG2 3.48Å |
| 105 | K | 94.8 | Very high | 96.1 | Very high | 77 Ų | 77 | 72.6 Ų | 72.6 | 34% | 0.335 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -32.3 | -172.8 | 67.9 | -173.1 | -176 | -177.3 | 0 | 114.4 | W101 | W101-K105 HydrophobicContact CD2-CB 3.94Å; W101-K105 HydrophobicContact CD2-CD 4.29Å; W101-K105 HydrophobicContact CE3-CB 4.01Å; W101-K105 HydrophobicContact CG-CD 4.49Å; W101-K105 HydrophobicContact CH2-CB 4.12Å; W101-K105 HydrophobicContact CZ2-CB 4.03Å; W101-K105 HydrophobicContact CZ2-CD 4.12Å; W101-K105 HydrophobicContact CZ3-CB 4.1Å; W101-K105 WeakPolarHBondContact O-CB 3.28Å; W101-K105 VanDerWaalsContact O-CG 3.3Å; W101-K105 WeakPolarHBondContact O-CG 3.29Å; W101-K105 PolarHBondContact O-N 2.88Å |
| 106 | S | 94.4 | Very high | 95.9 | Very high | 79 Ų | 79 | 72.2 Ų | 72.2 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -7.7 | -176.4 | -64.7 | 0 | 0 | 0 | 0 | 114 | L104 K111 | L104-S106 PolarHBondContact O-N 3.3Å; S106-K111 WeakPolarHBondContact O-CE 3.21Å |
| 107 | T | 97 | Very high | 95.7 | Very high | 49 Ų | 49 | 68.9 Ų | 68.9 | 30% | 0.301 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -66.8 | 148.3 | -177.8 | 66 | 0 | 0 | 0 | 0 | 111.3 | L104 R109 V110 K111 | L104-T107 HydrophobicContact CD2-CG2 4.21Å; L104-T107 WeakPolarHBondContact O-CB 3.5Å; L104-T107 WeakPolarHBondContact O-CG2 3.3Å; L104-T107 PolarHBondContact O-N 3.12Å; L104-T107 PolarHBondContact O-OG1 3.27Å; T107-R109 VanDerWaalsContact C-N 3.29Å; T107-R109 PolarHBondContact O-N 3.27Å; T107-V110 PolarHBondContact O-N 3.46Å; T107-V110 WeakPolarHBondContact OG1-CB 3.46Å; T107-V110 VanDerWaalsContact OG1-CG2 3.3Å; T107-V110 WeakPolarHBondContact OG1-CG2 3.26Å; T107-V110 PolarHBondContact OG1-N 2.96Å; T107-K111 WeakPolarHBondContact O-CG 3.1Å; T107-K111 PolarHBondContact O-N 2.95Å |
| 108 | K | 96.2 | Very high | 95.7 | Very high | 155 Ų | 155 | 69.1 Ų | 69.1 | 67% | 0.674 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -56.5 | -43.4 | 178.4 | -178.9 | 176.7 | 169.9 | 179.6 | 0 | 112 | V110 K111 E112 | K108-V110 PolarHBondContact O-N 3.41Å; K108-K111 PolarHBondContact O-N 2.89Å; K108-E112 WeakPolarHBondContact CE-OE1 3.24Å; K108-E112 HydrophobicContact CG-CG 4.45Å; K108-E112 IonicContact NZ-OE1 2.89Å; K108-E112 WeakPolarHBondContact O-CG 3.43Å; K108-E112 PolarHBondContact O-N 3.02Å |
| 109 | R | 95.3 | Very high | 95.6 | Very high | 118 Ų | 118 | 67.7 Ų | 67.7 | 45% | 0.445 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55 | -52.6 | 176.9 | 175.7 | -172 | 166 | -151.8 | 8.8 | 111.6 | E92 E96 T107 K111 E112 L113 | E92-R109 VanDerWaalsContact CD-NH2 3.32Å; E92-R109 IonicContact OE1-CZ 2.82Å; E92-R109 IonicContact OE1-NE 3.26Å; E92-R109 PolarHBondContact OE1-NE 3.16Å; E92-R109 IonicContact OE1-NH2 3.57Å; E92-R109 PolarHBondContact OE1-NH2 2.93Å; E96-R109 IonicContact OE2-CZ 3.15Å; E96-R109 IonicContact OE2-NH1 3.08Å; E96-R109 PolarHBondContact OE2-NH1 3.48Å; E96-R109 IonicContact OE2-NH2 2.75Å; E96-R109 PolarHBondContact OE2-NH2 3.24Å; T107-R109 VanDerWaalsContact C-N 3.29Å; T107-R109 PolarHBondContact O-N 3.27Å; R109-K111 VanDerWaalsContact C-N 3.33Å; R109-K111 PolarHBondContact O-N 3.5Å; R109-E112 PolarHBondContact O-N 3.12Å; R109-L113 PolarHBondContact O-N 2.92Å |
| 110 | V | 96.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.7 | -37.7 | -177.9 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | W93 I97 L104 T107 K108 L113 W114 | W93-V110 HydrophobicContact CH2-CG1 3.83Å; W93-V110 HydrophobicContact CZ3-CG1 4.3Å; I97-V110 HydrophobicContact CD1-CG1 4.43Å; I97-V110 HydrophobicContact CD1-CG2 3.91Å; I97-V110 HydrophobicContact CG1-CG2 3.99Å; I97-V110 HydrophobicContact CG2-CG1 4.09Å; I97-V110 HydrophobicContact CG2-CG2 4.17Å; L104-V110 HydrophobicContact CB-CG2 4.13Å; L104-V110 WeakPolarHBondContact O-CB 3.47Å; L104-V110 WeakPolarHBondContact O-CG2 3.48Å; T107-V110 PolarHBondContact O-N 3.46Å; T107-V110 WeakPolarHBondContact OG1-CB 3.46Å; T107-V110 VanDerWaalsContact OG1-CG2 3.3Å; T107-V110 WeakPolarHBondContact OG1-CG2 3.26Å; T107-V110 PolarHBondContact OG1-N 2.96Å; K108-V110 PolarHBondContact O-N 3.41Å; V110-L113 PolarHBondContact O-N 3.34Å; V110-W114 VanDerWaalsContact O-CB 3.25Å; V110-W114 WeakPolarHBondContact O-CB 3.31Å; V110-W114 PolarHBondContact O-N 2.75Å |
| 111 | K | 95.8 | Very high | 95.5 | Very high | 95 Ų | 95 | 67.3 Ų | 67.3 | 41% | 0.413 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 173.7 | -71.7 | 180 | 176.6 | 179.8 | 0 | 111.9 | S106 T107 K108 R109 L113 W114 E115 R311 | S106-K111 WeakPolarHBondContact O-CE 3.21Å; T107-K111 WeakPolarHBondContact O-CG 3.1Å; T107-K111 PolarHBondContact O-N 2.95Å; K108-K111 PolarHBondContact O-N 2.89Å; R109-K111 VanDerWaalsContact C-N 3.33Å; R109-K111 PolarHBondContact O-N 3.5Å; K111-L113 PolarHBondContact O-N 3.36Å; K111-W114 PolarHBondContact O-N 2.71Å; K111-E115 WeakPolarHBondContact O-CB 3.19Å; K111-E115 PolarHBondContact O-N 3.28Å; K111-R311 PolarHBondContact O-NH1 3.43Å |
| 112 | E | 94.5 | Very high | 95.5 | Very high | 97 Ų | 97 | 66.6 Ų | 66.6 | 45% | 0.453 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 177.1 | -72.6 | 173.8 | 171.2 | 0 | 0 | 112 | K108 R109 E115 N116 | K108-E112 WeakPolarHBondContact CE-OE1 3.24Å; K108-E112 HydrophobicContact CG-CG 4.45Å; K108-E112 IonicContact NZ-OE1 2.89Å; K108-E112 WeakPolarHBondContact O-CG 3.43Å; K108-E112 PolarHBondContact O-N 3.02Å; R109-E112 PolarHBondContact O-N 3.12Å; E112-E115 WeakPolarHBondContact O-CB 3.46Å; E112-E115 PolarHBondContact O-N 3.06Å; E112-N116 PolarHBondContact O-ND2 2.86Å; E112-N116 VanDerWaalsContact O-ND2 3.1Å |
| 113 | L | 94.7 | Very high | 95.6 | Very high | 31 Ų | 31 | 61.5 Ų | 61.5 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 175.6 | -176.5 | 64 | 0 | 0 | 0 | 111.3 | E92 W93 I97 R109 V110 K111 E115 N116 | E92-L113 HydrophobicContact CG-CD2 4.05Å; W93-L113 HydrophobicContact CD2-CD2 4.47Å; W93-L113 HydrophobicContact CZ2-CD2 4.11Å; W93-L113 HydrophobicContact CZ2-CG 4.18Å; W93-L113 VanDerWaalsContact NE1-CD2 3.34Å; I97-L113 HydrophobicContact CD1-CD2 3.58Å; R109-L113 PolarHBondContact O-N 2.92Å; V110-L113 PolarHBondContact O-N 3.34Å; K111-L113 PolarHBondContact O-N 3.36Å; L113-E115 VanDerWaalsContact C-N 3.27Å; L113-E115 PolarHBondContact O-N 3.15Å; L113-N116 PolarHBondContact O-N 3.42Å |
| 114 | W | 95.8 | Very high | 95.7 | Very high | 5 Ų | 5 | 54.8 Ų | 54.8 | 2% | 0.019 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.7 | -31.2 | 178.6 | -162.7 | -15.2 | 0 | 0 | 0 | 111.6 | W93 W101 V110 K111 N116 G117 L118 V126 A130 D307 L308 R311 | W93-W114 HydrophobicContact CH2-CB 3.97Å; W93-W114 AromaticContact CH2-CD2 3.98Å; W93-W114 HydrophobicContact CH2-CD2 3.98Å; W93-W114 AromaticContact CH2-CE3 3.97Å; W93-W114 HydrophobicContact CH2-CE3 3.97Å; W93-W114 HydrophobicContact CH2-CG 4.02Å; W93-W114 HydrophobicContact CZ2-CB 3.83Å; W93-W114 HydrophobicContact CZ2-CG 4.16Å; W101-W114 HydrophobicContact CH2-CE3 4.47Å; W101-W114 AromaticContact CH2-CH2 3.62Å; W101-W114 HydrophobicContact CH2-CH2 3.62Å; W101-W114 AromaticContact CH2-CZ3 3.46Å; W101-W114 HydrophobicContact CH2-CZ3 3.46Å; W101-W114 VanDerWaalsContact CH2-CZ3 3.46Å; W101-W114 HydrophobicContact CZ2-CH2 4.41Å; W101-W114 HydrophobicContact CZ2-CZ3 4.39Å; W101-W114 HydrophobicContact CZ3-CZ3 4.11Å; V110-W114 VanDerWaalsContact O-CB 3.25Å; V110-W114 WeakPolarHBondContact O-CB 3.31Å; V110-W114 PolarHBondContact O-N 2.75Å; K111-W114 PolarHBondContact O-N 2.71Å; W114-N116 PolarHBondContact O-N 3.43Å; W114-G117 WeakPolarHBondContact O-CA 3.48Å; W114-G117 PolarHBondContact O-N 3.42Å; W114-L118 HydrophobicContact CD2-CD2 4.33Å; W114-L118 HydrophobicContact CG-CD2 3.96Å; W114-L118 HydrophobicContact CG-CG 4.49Å; W114-L118 HydrophobicContact CZ2-CD1 4.47Å; W114-V126 HydrophobicContact CH2-CG1 3.73Å; W114-V126 HydrophobicContact CZ2-CG1 3.51Å; W114-V126 HydrophobicContact CZ3-CG1 4.38Å; W114-A130 HydrophobicContact CH2-CB 4.26Å; W114-D307 WeakPolarHBondContact CZ2-O 3.39Å; W114-D307 VanDerWaalsContact NE1-C 3.35Å; W114-D307 PolarHBondContact NE1-O 3.02Å; W114-L308 WeakPolarHBondContact O-CD2 3.48Å; W114-R311 HydrophobicContact CD2-CB 3.94Å; W114-R311 VanDerWaalsContact CD2-CD 3.5Å; W114-R311 HydrophobicContact CD2-CG 3.86Å; W114-R311 HydrophobicContact CE3-CB 4.02Å; W114-R311 VanDerWaalsContact CE3-CD 3.47Å; W114-R311 HydrophobicContact CE3-CG 3.56Å; W114-R311 HydrophobicContact CH2-CB 3.73Å; W114-R311 HydrophobicContact CH2-CG 3.98Å; W114-R311 HydrophobicContact CZ2-CB 3.66Å; W114-R311 HydrophobicContact CZ2-CG 4.28Å; W114-R311 HydrophobicContact CZ3-CB 3.92Å; W114-R311 HydrophobicContact CZ3-CG 3.62Å |
| 115 | E | 94.2 | Very high | 95.7 | Very high | 62 Ų | 62 | 59 Ų | 59 | 29% | 0.29 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.8 | -29 | 176.8 | -165.5 | 174.3 | 161.9 | 0 | 0 | 113 | K111 E112 L113 G117 R304 R361 | K111-E115 WeakPolarHBondContact O-CB 3.19Å; K111-E115 PolarHBondContact O-N 3.28Å; E112-E115 WeakPolarHBondContact O-CB 3.46Å; E112-E115 PolarHBondContact O-N 3.06Å; L113-E115 VanDerWaalsContact C-N 3.27Å; L113-E115 PolarHBondContact O-N 3.15Å; E115-G117 PolarHBondContact O-N 3.27Å; E115-R304 PolarHBondContact O-NH2 3.29Å; E115-R304 VanDerWaalsContact O-NH2 3.16Å; E115-R361 WeakPolarHBondContact OE1-CD 3.43Å |
| 116 | N | 91.9 | Very high | 95.9 | Very high | 118 Ų | 118 | 55.3 Ų | 55.3 | 63% | 0.631 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -4.8 | 176.1 | -64.8 | -50.4 | 0 | 0 | 0 | 113.5 | E112 L113 W114 | E112-N116 PolarHBondContact O-ND2 2.86Å; E112-N116 VanDerWaalsContact O-ND2 3.1Å; L113-N116 PolarHBondContact O-N 3.42Å; W114-N116 PolarHBondContact O-N 3.43Å |
| 117 | G | 93.8 | Very high | 96.1 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 14% | 0.144 | 26% | 0.255 | C | S | . | . | trans | 99.7 | 151.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | W114 E115 | W114-G117 WeakPolarHBondContact O-CA 3.48Å; W114-G117 PolarHBondContact O-N 3.42Å; E115-G117 PolarHBondContact O-N 3.27Å | ||
| 118 | L | 97.2 | Very high | 96.1 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | trans | -84.4 | 142.1 | 176.9 | -64.1 | 178.2 | 0 | 0 | 0 | 111 | W93 W114 V122 R123 V126 D307 | W93-L118 HydrophobicContact CD2-CD2 4.11Å; W93-L118 HydrophobicContact CE3-CD2 4.36Å; W93-L118 HydrophobicContact CH2-CD2 3.61Å; W93-L118 HydrophobicContact CZ2-CD2 3.3Å; W93-L118 HydrophobicContact CZ3-CD2 4.12Å; W114-L118 HydrophobicContact CD2-CD2 4.33Å; W114-L118 HydrophobicContact CG-CD2 3.96Å; W114-L118 HydrophobicContact CG-CG 4.49Å; W114-L118 HydrophobicContact CZ2-CD1 4.47Å; L118-V122 HydrophobicContact CB-CG2 4.35Å; L118-R123 HydrophobicContact CB-CG 3.82Å; L118-R123 HydrophobicContact CD1-CG 4.28Å; L118-R123 PolarHBondContact O-NH2 3.23Å; L118-V126 HydrophobicContact CD1-CB 3.73Å; L118-V126 HydrophobicContact CD1-CG1 3.51Å; L118-V126 HydrophobicContact CD1-CG2 4.19Å; L118-V126 HydrophobicContact CD2-CG1 4.38Å; L118-V126 HydrophobicContact CD2-CG2 4.44Å; L118-D307 WeakPolarHBondContact CB-OD2 3.27Å; L118-D307 HydrophobicContact CD1-CB 4.18Å; L118-D307 WeakPolarHBondContact CD1-OD1 3.04Å; L118-D307 HydrophobicContact CG-CB 4.04Å; L118-D307 PolarHBondContact N-OD2 2.53Å | ||
| 119 | P | 96.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.019 | 23% | 0.233 | C | C | . | . | trans | -56.1 | 136.9 | 163.5 | -22.9 | 32 | 0 | 0 | 0 | 111.1 | L86 S89 V90 C121 V122 R123 | L86-P119 HydrophobicContact CD1-CB 3.8Å; L86-P119 HydrophobicContact CD1-CG 4.2Å; S89-P119 VanDerWaalsContact OG-CG 3.29Å; S89-P119 WeakPolarHBondContact OG-CG 3.3Å; V90-P119 HydrophobicContact CG2-CB 3.46Å; V90-P119 VanDerWaalsContact CG2-CB 3.46Å; V90-P119 HydrophobicContact CG2-CG 3.91Å; P119-C121 VanDerWaalsContact C-N 3.27Å; P119-C121 PolarHBondContact O-N 2.83Å; P119-C121 VanDerWaalsContact O-N 3.15Å; P119-V122 HydrophobicContact CB-CG2 4.05Å; P119-V122 HydrophobicContact CG-CG2 4.12Å; P119-V122 VanDerWaalsContact O-CG2 3.27Å; P119-V122 WeakPolarHBondContact O-CG2 3.37Å; P119-V122 PolarHBondContact O-N 2.98Å; P119-R123 PolarHBondContact O-N 3.46Å | ||
| 120 | P | 95.2 | Very high | 96.2 | Very high | 71 Ų | 71 | 42.2 Ų | 42.2 | 46% | 0.461 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -53.3 | -41.1 | -175.9 | -28.9 | 34.5 | 0 | 0 | 0 | 114.1 | V122 R123 | P120-V122 PolarHBondContact O-N 3.01Å; P120-R123 WeakPolarHBondContact O-CB 3.45Å; P120-R123 PolarHBondContact O-N 3.38Å |
| 121 | C | 95.7 | Very high | 96.3 | Very high | 96 Ų | 96 | 42.5 Ų | 42.5 | 65% | 0.649 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -70.3 | -13.8 | -176.6 | 64.7 | 0 | 0 | 0 | 0 | 114.9 | P119 | P119-C121 VanDerWaalsContact C-N 3.27Å; P119-C121 PolarHBondContact O-N 2.83Å; P119-C121 VanDerWaalsContact O-N 3.15Å |
| 122 | V | 97.5 | Very high | 96.3 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.024 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -103.5 | -10.4 | 176.6 | -53.8 | 0 | 0 | 0 | 0 | 112.6 | W93 L98 L118 P119 P120 G124 R125 V126 | W93-V122 HydrophobicContact CB-CB 4.4Å; W93-V122 HydrophobicContact CB-CG1 4.03Å; W93-V122 HydrophobicContact CB-CG2 4.09Å; W93-V122 HydrophobicContact CG-CG2 4.12Å; L98-V122 HydrophobicContact CD1-CB 4.43Å; L118-V122 HydrophobicContact CB-CG2 4.35Å; P119-V122 HydrophobicContact CB-CG2 4.05Å; P119-V122 HydrophobicContact CG-CG2 4.12Å; P119-V122 VanDerWaalsContact O-CG2 3.27Å; P119-V122 WeakPolarHBondContact O-CG2 3.37Å; P119-V122 PolarHBondContact O-N 2.98Å; P120-V122 PolarHBondContact O-N 3.01Å; V122-G124 PolarHBondContact O-N 2.91Å; V122-R125 PolarHBondContact O-N 3.42Å; V122-V126 HydrophobicContact CG2-CG2 4.39Å; V122-V126 WeakPolarHBondContact O-CG2 3.36Å; V122-V126 PolarHBondContact O-N 3.13Å |
| 123 | R | 97.9 | Very high | 96.4 | Very high | 20 Ų | 20 | 37.4 Ų | 37.4 | 8% | 0.075 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.9 | -51.3 | -177.4 | -79.1 | -177.8 | -177.6 | 133.6 | 4.7 | 111.9 | L118 P119 P120 R125 V126 W127 N222 D307 | L118-R123 HydrophobicContact CB-CG 3.82Å; L118-R123 HydrophobicContact CD1-CG 4.28Å; L118-R123 PolarHBondContact O-NH2 3.23Å; P119-R123 PolarHBondContact O-N 3.46Å; P120-R123 WeakPolarHBondContact O-CB 3.45Å; P120-R123 PolarHBondContact O-N 3.38Å; R123-R125 VanDerWaalsContact C-N 3.31Å; R123-R125 PolarHBondContact O-N 3.38Å; R123-V126 PolarHBondContact O-N 3.2Å; R123-V126 VanDerWaalsContact O-N 3.17Å; R123-W127 HydrophobicContact CB-CD2 4.22Å; R123-W127 HydrophobicContact CB-CZ2 4.18Å; R123-W127 HydrophobicContact CG-CZ2 4.1Å; R123-W127 VanDerWaalsContact O-CB 3.23Å; R123-W127 WeakPolarHBondContact O-CB 3.09Å; R123-W127 PolarHBondContact O-N 3.37Å; R123-N222 HydrophobicContact CB-CB 4.34Å; R123-N222 WeakPolarHBondContact CD-OD1 3.32Å; R123-D307 IonicContact NE-OD1 2.8Å; R123-D307 IonicContact NE-OD2 2.65Å; R123-D307 IonicContact NH2-OD2 3.42Å |
| 124 | G | 97.7 | Very high | 96.4 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 7% | 0.072 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -50.3 | -52.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V122 V126 W127 Q128 N222 L223 | V122-G124 PolarHBondContact O-N 2.91Å; G124-V126 PolarHBondContact O-N 3.28Å; G124-W127 PolarHBondContact O-N 2.94Å; G124-Q128 WeakPolarHBondContact O-CB 3.27Å; G124-Q128 VanDerWaalsContact O-CG 3.25Å; G124-Q128 WeakPolarHBondContact O-CG 3.49Å; G124-Q128 PolarHBondContact O-N 3.05Å; G124-N222 WeakPolarHBondContact CA-O 3.41Å; G124-L223 VanDerWaalsContact O-CD2 3.31Å; G124-L223 WeakPolarHBondContact O-CD2 3.39Å |
| 125 | R | 97.8 | Very high | 96.4 | Very high | 131 Ų | 131 | 44.7 Ų | 44.7 | 49% | 0.494 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.3 | -43.9 | -179.2 | -174.6 | 56.6 | 179.6 | 158.2 | -0.2 | 113.1 | L98 V122 R123 L129 | L98-R125 HydrophobicContact CD1-CB 4.18Å; L98-R125 HydrophobicContact CD1-CG 3.88Å; L98-R125 HydrophobicContact CD2-CB 4.44Å; L98-R125 HydrophobicContact CD2-CG 3.75Å; L98-R125 HydrophobicContact CG-CG 4.41Å; V122-R125 PolarHBondContact O-N 3.42Å; R123-R125 VanDerWaalsContact C-N 3.31Å; R123-R125 PolarHBondContact O-N 3.38Å; R125-L129 HydrophobicContact CG-CD1 4.3Å; R125-L129 VanDerWaalsContact O-CG 3.31Å; R125-L129 WeakPolarHBondContact O-CG 3.46Å; R125-L129 PolarHBondContact O-N 2.91Å |
| 126 | V | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 179.7 | 175.1 | 0 | 0 | 0 | 0 | 111 | W93 L98 W101 W114 L118 V122 R123 G124 L129 A130 | W93-V126 HydrophobicContact CE3-CG2 4Å; W93-V126 HydrophobicContact CZ3-CG2 4.03Å; L98-V126 HydrophobicContact CD2-CG2 3.85Å; W101-V126 HydrophobicContact CH2-CG1 3.91Å; W101-V126 HydrophobicContact CZ3-CG1 4.17Å; W114-V126 HydrophobicContact CH2-CG1 3.73Å; W114-V126 HydrophobicContact CZ2-CG1 3.51Å; W114-V126 HydrophobicContact CZ3-CG1 4.38Å; L118-V126 HydrophobicContact CD1-CB 3.73Å; L118-V126 HydrophobicContact CD1-CG1 3.51Å; L118-V126 HydrophobicContact CD1-CG2 4.19Å; L118-V126 HydrophobicContact CD2-CG1 4.38Å; L118-V126 HydrophobicContact CD2-CG2 4.44Å; V122-V126 HydrophobicContact CG2-CG2 4.39Å; V122-V126 WeakPolarHBondContact O-CG2 3.36Å; V122-V126 PolarHBondContact O-N 3.13Å; R123-V126 PolarHBondContact O-N 3.2Å; R123-V126 VanDerWaalsContact O-N 3.17Å; G124-V126 PolarHBondContact O-N 3.28Å; V126-L129 PolarHBondContact O-N 3.47Å; V126-A130 WeakPolarHBondContact O-CB 3.28Å; V126-A130 PolarHBondContact O-N 2.92Å |
| 127 | W | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.9 | -43.5 | 179 | -66.8 | 1.4 | 0 | 0 | 0 | 111.4 | R123 G124 L129 A130 I131 V218 N222 C303 W306 D307 L310 | R123-W127 HydrophobicContact CB-CD2 4.22Å; R123-W127 HydrophobicContact CB-CZ2 4.18Å; R123-W127 HydrophobicContact CG-CZ2 4.1Å; R123-W127 VanDerWaalsContact O-CB 3.23Å; R123-W127 WeakPolarHBondContact O-CB 3.09Å; R123-W127 PolarHBondContact O-N 3.37Å; G124-W127 PolarHBondContact O-N 2.94Å; W127-L129 VanDerWaalsContact C-N 3.29Å; W127-L129 PolarHBondContact O-N 3.34Å; W127-A130 PolarHBondContact O-N 3.48Å; W127-A130 VanDerWaalsContact O-N 3.15Å; W127-I131 HydrophobicContact CB-CD1 4.46Å; W127-I131 WeakPolarHBondContact O-CB 3.33Å; W127-I131 VanDerWaalsContact O-CG1 3.22Å; W127-I131 WeakPolarHBondContact O-CG1 3.46Å; W127-I131 PolarHBondContact O-N 2.91Å; W127-V218 HydrophobicContact CH2-CG1 3.83Å; W127-V218 HydrophobicContact CZ3-CG1 3.89Å; W127-N222 HydrophobicContact CE3-CB 3.97Å; W127-N222 HydrophobicContact CH2-CB 4.35Å; W127-N222 WeakPolarHBondContact CH2-ND2 3.01Å; W127-N222 HydrophobicContact CZ3-CB 3.67Å; W127-N222 VanDerWaalsContact CZ3-ND2 3.33Å; W127-N222 WeakPolarHBondContact CZ3-ND2 2.97Å; W127-C303 HydrophobicContact CH2-CB 4.36Å; W127-C303 HydrophobicContact CZ2-CB 4.37Å; W127-W306 HydrophobicContact CE3-CE3 4.13Å; W127-W306 HydrophobicContact CH2-CB 4.06Å; W127-W306 HydrophobicContact CH2-CD2 4.45Å; W127-W306 AromaticContact CH2-CE3 3.94Å; W127-W306 HydrophobicContact CH2-CE3 3.94Å; W127-W306 HydrophobicContact CZ2-CB 3.66Å; W127-W306 HydrophobicContact CZ2-CE3 4.46Å; W127-W306 AromaticContact CZ3-CE3 3.76Å; W127-W306 HydrophobicContact CZ3-CE3 3.76Å; W127-W306 HydrophobicContact CZ3-CZ3 4.26Å; W127-D307 PolarHBondContact NE1-OD1 3.08Å; W127-L310 HydrophobicContact CB-CD1 3.78Å; W127-L310 VanDerWaalsContact CD1-CD1 3.46Å; W127-L310 HydrophobicContact CD2-CD1 3.99Å; W127-L310 HydrophobicContact CG-CD1 3.45Å; W127-L310 VanDerWaalsContact CG-CD1 3.45Å |
| 128 | Q | 97.6 | Very high | 96.2 | Very high | 50 Ų | 50 | 45 Ų | 45 | 23% | 0.234 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -53.3 | -48.1 | 171.9 | -75.6 | 166.1 | 3.9 | 0 | 0 | 111.7 | G124 A130 G132 L223 E227 | G124-Q128 WeakPolarHBondContact O-CB 3.27Å; G124-Q128 VanDerWaalsContact O-CG 3.25Å; G124-Q128 WeakPolarHBondContact O-CG 3.49Å; G124-Q128 PolarHBondContact O-N 3.05Å; Q128-A130 VanDerWaalsContact C-N 3.31Å; Q128-A130 PolarHBondContact O-N 3.22Å; Q128-G132 PolarHBondContact O-N 3.25Å; Q128-L223 HydrophobicContact CG-CD2 3.52Å; Q128-E227 HydrophobicContact CG-CB 4.49Å; Q128-E227 VanDerWaalsContact NE2-CB 3.31Å |
| 129 | L | 97.7 | Very high | 95.3 | Very high | 52 Ų | 52 | 51.2 Ų | 51.2 | 27% | 0.272 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.2 | -29.4 | -179.1 | -71.7 | 171.3 | 0 | 0 | 0 | 113.3 | L98 W101 R125 V126 W127 | L98-L129 HydrophobicContact CD2-CD1 3.74Å; W101-L129 HydrophobicContact CB-CD1 4.27Å; W101-L129 HydrophobicContact CD2-CB 4.33Å; W101-L129 HydrophobicContact CD2-CD1 3.87Å; W101-L129 HydrophobicContact CE3-CD1 4.34Å; W101-L129 HydrophobicContact CG-CD1 3.82Å; W101-L129 HydrophobicContact CZ2-CB 3.92Å; R125-L129 HydrophobicContact CG-CD1 4.3Å; R125-L129 VanDerWaalsContact O-CG 3.31Å; R125-L129 WeakPolarHBondContact O-CG 3.46Å; R125-L129 PolarHBondContact O-N 2.91Å; V126-L129 PolarHBondContact O-N 3.47Å; W127-L129 VanDerWaalsContact C-N 3.29Å; W127-L129 PolarHBondContact O-N 3.34Å |
| 130 | A | 96.7 | Very high | 94 | Very high | 23 Ų | 23 | 54.4 Ų | 54.4 | 19% | 0.19 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -86.5 | -30.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | W114 V126 W127 Q128 R238 L310 | W114-A130 HydrophobicContact CH2-CB 4.26Å; V126-A130 WeakPolarHBondContact O-CB 3.28Å; V126-A130 PolarHBondContact O-N 2.92Å; W127-A130 PolarHBondContact O-N 3.48Å; W127-A130 VanDerWaalsContact O-N 3.15Å; Q128-A130 VanDerWaalsContact C-N 3.31Å; Q128-A130 PolarHBondContact O-N 3.22Å; A130-R238 PolarHBondContact O-NH2 2.77Å; A130-R238 VanDerWaalsContact O-NH2 3.14Å; A130-L310 HydrophobicContact CB-CB 3.95Å |
| 131 | I | 97.2 | Very high | 92.3 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -76.2 | -45.6 | 174.9 | -66.8 | 170.7 | 0 | 0 | 0 | 109.9 | W127 L219 A231 N234 L235 L310 | W127-I131 HydrophobicContact CB-CD1 4.46Å; W127-I131 WeakPolarHBondContact O-CB 3.33Å; W127-I131 VanDerWaalsContact O-CG1 3.22Å; W127-I131 WeakPolarHBondContact O-CG1 3.46Å; W127-I131 PolarHBondContact O-N 2.91Å; I131-L219 HydrophobicContact CD1-CD2 4.04Å; I131-A231 HydrophobicContact CD1-CB 3.86Å; I131-A231 HydrophobicContact CG2-CB 4.49Å; I131-N234 HydrophobicContact CG2-CB 3.79Å; I131-L235 HydrophobicContact CG2-CB 4.44Å; I131-L310 HydrophobicContact CD1-CD1 4.4Å; I131-L310 HydrophobicContact CD1-CD2 4.12Å; I131-L310 HydrophobicContact CG1-CD1 4.33Å; I131-L310 HydrophobicContact CG1-CD2 3.42Å; I131-L310 VanDerWaalsContact CG1-CD2 3.42Å |
| 132 | G | 95.9 | Very high | 90.2 | Very high | 28 Ų | 28 | 50.1 Ų | 50.1 | 29% | 0.289 | 28% | 0.284 | S | S | . | . | trans | 79.2 | -173.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q128 | Q128-G132 PolarHBondContact O-N 3.25Š| ||
| 133 | N | 96.6 | Very high | 87.6 | Confident | 57 Ų | 57 | 52.3 Ų | 52.3 | 31% | 0.305 | 31% | 0.307 | S | S | . | . | trans | -138.9 | 54.3 | 174.5 | -171.4 | 18.4 | 0 | 0 | 0 | 110.6 | L135 N136 V137 V230 N234 | N133-L135 PolarHBondContact O-N 3.16Å; N133-N136 PolarHBondContact O-N 2.84Å; N133-N136 PolarHBondContact OD1-N 3.3Å; N133-V137 PolarHBondContact ND2-N 3.42Å; N133-V137 PolarHBondContact ND2-O 2.88Å; N133-V137 PolarHBondContact OD1-N 3.07Å; N133-V230 HydrophobicContact CB-CG1 4.04Å; N133-N234 VanDerWaalsContact C-OD1 3.31Å; N133-N234 WeakPolarHBondContact CA-OD1 3.34Å; N133-N234 PolarHBondContact OD1-ND2 3.26Å | ||
| 134 | D | 94.8 | Very high | 84.9 | Confident | 142 Ų | 142 | 60.1 Ų | 60.1 | 76% | 0.759 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -28.2 | -178 | -63.6 | -19.7 | 0 | 0 | 0 | 112.5 | N136 N234 | D134-N136 PolarHBondContact O-N 3.25Å; D134-N136 PolarHBondContact O-ND2 3.22Å; D134-N234 PolarHBondContact N-OD1 3.36Å |
| 135 | L | 94.8 | Very high | 82 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 24% | 0.241 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -8.4 | 173.2 | -71.9 | -179.3 | 0 | 0 | 0 | 114 | N133 V137 Y202 C233 N234 N237 | N133-L135 PolarHBondContact O-N 3.16Å; L135-V137 HydrophobicContact CB-CG2 3.82Å; L135-V137 HydrophobicContact CD1-CG2 4.47Å; L135-V137 PolarHBondContact O-N 3.4Å; L135-Y202 HydrophobicContact CD1-CE1 4.27Å; L135-C233 HydrophobicContact CD1-CB 4.04Å; L135-C233 WeakPolarHBondContact CD1-O 3.42Å; L135-N234 WeakPolarHBondContact CB-OD1 3.47Å; L135-N234 PolarHBondContact N-OD1 2.81Å; L135-N237 HydrophobicContact CD1-CB 3.79Å; L135-N237 HydrophobicContact CD2-CB 4.39Å; L135-N237 HydrophobicContact CG-CB 4.26Å |
| 136 | N | 94.2 | Very high | 79 | Confident | 121 Ų | 121 | 64.9 Ų | 64.9 | 65% | 0.647 | 39% | 0.387 | S | S | * | . | trans | 50.8 | 43.2 | -174.7 | -58.8 | -71.1 | 0 | 0 | 0 | 112.6 | N133 D134 T138 | N133-N136 PolarHBondContact O-N 2.84Å; N133-N136 PolarHBondContact OD1-N 3.3Å; D134-N136 PolarHBondContact O-N 3.25Å; D134-N136 PolarHBondContact O-ND2 3.22Å; N136-T138 PolarHBondContact O-N 3.41Å | ||
| 137 | V | 93.2 | Very high | 76.3 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.012 | 41% | 0.414 | C | S | . | . | trans | -62.8 | 128.4 | 174.9 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | N133 L135 Y202 Y226 F229 V230 C233 | N133-V137 PolarHBondContact ND2-N 3.42Å; N133-V137 PolarHBondContact ND2-O 2.88Å; N133-V137 PolarHBondContact OD1-N 3.07Å; L135-V137 HydrophobicContact CB-CG2 3.82Å; L135-V137 HydrophobicContact CD1-CG2 4.47Å; L135-V137 PolarHBondContact O-N 3.4Å; V137-Y202 HydrophobicContact CG2-CE1 4.36Å; V137-Y226 PolarHBondContact O-OH 3.09Å; V137-F229 HydrophobicContact CG1-CD1 4.12Å; V137-F229 HydrophobicContact CG1-CE1 3.86Å; V137-V230 HydrophobicContact CB-CG1 4.31Å; V137-V230 HydrophobicContact CB-CG2 4.08Å; V137-V230 HydrophobicContact CG1-CG2 3.92Å; V137-C233 HydrophobicContact CG2-CB 3.95Å | ||
| 138 | T | 89.9 | Confident | 73.1 | Confident | 78 Ų | 78 | 73 Ų | 73 | 48% | 0.479 | 44% | 0.441 | S | S | . | . | trans | -121.2 | 163.4 | 179.9 | 53.3 | 0 | 0 | 0 | 0 | 110 | N136 G140 S141 Y226 | N136-T138 PolarHBondContact O-N 3.41Å; T138-G140 PolarHBondContact O-N 3.26Å; T138-S141 PolarHBondContact N-OG 3.41Å; T138-S141 VanDerWaalsContact N-OG 3.11Å; T138-S141 WeakPolarHBondContact O-CA 3.37Å; T138-S141 WeakPolarHBondContact O-CB 3.37Å; T138-S141 PolarHBondContact O-N 3.1Å; T138-S141 PolarHBondContact O-OG 2.89Å; T138-S141 VanDerWaalsContact O-OG 3.1Å; T138-S141 PolarHBondContact OG1-OG 3.02Å; T138-Y226 VanDerWaalsContact C-OH 3.25Å; T138-Y226 VanDerWaalsContact CA-OH 3.28Å; T138-Y226 WeakPolarHBondContact CA-OH 3.23Å | ||
| 139 | E | 78.2 | Confident | 69.8 | Low | 136 Ų | 136 | 78.5 Ų | 78.5 | 64% | 0.636 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -55.6 | -37.1 | -176.9 | -70.8 | -178.4 | 173.2 | 0 | 0 | 113.1 | S141 N142 Y226 | E139-S141 PolarHBondContact O-N 2.91Å; E139-N142 VanDerWaalsContact O-CB 3.3Å; E139-N142 WeakPolarHBondContact O-CB 3.02Å; E139-N142 VanDerWaalsContact O-CG 3.3Å; E139-N142 PolarHBondContact O-N 2.63Å; E139-N142 PolarHBondContact O-ND2 2.99Å; E139-Y226 HydrophobicContact CB-CE2 4.25Å; E139-Y226 HydrophobicContact CG-CD1 4.29Å; E139-Y226 HydrophobicContact CG-CD2 4.12Å; E139-Y226 HydrophobicContact CG-CE1 3.86Å; E139-Y226 HydrophobicContact CG-CE2 3.66Å; E139-Y226 HydrophobicContact CG-CG 4.39Å; E139-Y226 PolarHBondContact N-OH 3.37Å; E139-Y226 VanDerWaalsContact N-OH 3.14Å |
| 140 | G | 67.8 | Low | 66.6 | Low | 70 Ų | 70 | 81 Ų | 81 | 72% | 0.722 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -75.4 | -5.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | T138 N142 | T138-G140 PolarHBondContact O-N 3.26Å; G140-N142 VanDerWaalsContact C-N 3.31Å |
| 141 | S | 60.6 | Low | 63.4 | Low | 37 Ų | 37 | 85 Ų | 85 | 26% | 0.259 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -80.4 | -19.1 | 170.8 | -45.6 | 0 | 0 | 0 | 0 | 111.8 | T138 E139 G143 | T138-S141 PolarHBondContact N-OG 3.41Å; T138-S141 VanDerWaalsContact N-OG 3.11Å; T138-S141 WeakPolarHBondContact O-CA 3.37Å; T138-S141 WeakPolarHBondContact O-CB 3.37Å; T138-S141 PolarHBondContact O-N 3.1Å; T138-S141 PolarHBondContact O-OG 2.89Å; T138-S141 VanDerWaalsContact O-OG 3.1Å; T138-S141 PolarHBondContact OG1-OG 3.02Å; E139-S141 PolarHBondContact O-N 2.91Å; S141-G143 PolarHBondContact O-N 3.07Å |
| 142 | N | 50.4 | Low | 60.6 | Low | 40 Ų | 40 | 91.8 Ų | 91.8 | 21% | 0.214 | 55% | 0.549 | C | S | . | . | S | Bend | trans | -67.3 | 106.1 | 164.8 | -50.5 | -21.9 | 0 | 0 | 0 | 104 | E139 G140 E144 Y226 F229 | E139-N142 VanDerWaalsContact O-CB 3.3Å; E139-N142 WeakPolarHBondContact O-CB 3.02Å; E139-N142 VanDerWaalsContact O-CG 3.3Å; E139-N142 PolarHBondContact O-N 2.63Å; E139-N142 PolarHBondContact O-ND2 2.99Å; G140-N142 VanDerWaalsContact C-N 3.31Å; N142-E144 VanDerWaalsContact C-N 3.31Å; N142-E144 PolarHBondContact O-N 3.1Å; N142-Y226 WeakPolarHBondContact ND2-CD2 3.31Å; N142-F229 WeakPolarHBondContact OD1-CD1 3.49Å; N142-F229 WeakPolarHBondContact OD1-CE1 3.31Å |
| 143 | G | 44.6 | Very low | 57.6 | Low | 50 Ų | 50 | 98.6 Ų | 98.6 | 52% | 0.515 | 57% | 0.573 | S | S | . | * | trans | -54.8 | 106.7 | 168 | 0 | 0 | 0 | 0 | 0 | 106.5 | S141 G145 | S141-G143 PolarHBondContact O-N 3.07Å; G143-G145 PolarHBondContact O-N 2.8Å | ||
| 144 | E | 39.8 | Very low | 54.7 | Low | 184 Ų | 184 | 101.1 Ų | 101.1 | 86% | 0.86 | 59% | 0.586 | S | S | * | * | trans | -66.5 | 33.9 | 172.8 | -60.7 | -179 | 148 | 0 | 0 | 110.9 | N142 E146 | N142-E144 VanDerWaalsContact C-N 3.31Å; N142-E144 PolarHBondContact O-N 3.1Å; E144-E146 VanDerWaalsContact C-N 3.32Å; E144-E146 PolarHBondContact O-N 3.33Å | ||
| 145 | G | 37.7 | Very low | 51.9 | Low | 61 Ų | 61 | 102 Ų | 102 | 63% | 0.629 | 59% | 0.591 | S | S | * | * | trans | -66.6 | 100.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | G143 C147 | G143-G145 PolarHBondContact O-N 2.8Å; G145-C147 PolarHBondContact O-N 3.39Å | ||
| 146 | E | 34.9 | Very low | 49.3 | Very low | 177 Ų | 177 | 102.5 Ų | 102.5 | 83% | 0.827 | 61% | 0.608 | S | S | * | * | trans | -27.5 | 130.5 | 136.9 | -66.8 | 172.1 | 153.1 | 0 | 0 | 108.4 | E144 P148 | E144-E146 VanDerWaalsContact C-N 3.32Å; E144-E146 PolarHBondContact O-N 3.33Å; E146-P148 VanDerWaalsContact O-CD 3.28Å; E146-P148 WeakPolarHBondContact O-CD 3.48Å | ||
| 147 | C | 40.6 | Very low | 47 | Very low | 83 Ų | 83 | 103.3 Ų | 103.3 | 56% | 0.561 | 61% | 0.607 | S | S | * | * | trans | -41.2 | 116.6 | 171.9 | -73 | 0 | 0 | 0 | 0 | 107 | G145 E149 | G145-C147 PolarHBondContact O-N 3.39Å; C147-E149 PolarHBondContact O-N 3.24Å | ||
| 148 | P | 32.7 | Very low | 44.7 | Very low | 87 Ų | 87 | 105.2 Ų | 105.2 | 57% | 0.565 | 62% | 0.621 | S | S | * | * | trans | -59.3 | 109.3 | -176.4 | -22 | 31.1 | 0 | 0 | 0 | 107.1 | E146 | E146-P148 VanDerWaalsContact O-CD 3.28Å; E146-P148 WeakPolarHBondContact O-CD 3.48Å | ||
| 149 | E | 27.6 | Very low | 42.6 | Very low | 166 Ų | 166 | 104.5 Ų | 104.5 | 78% | 0.776 | 62% | 0.623 | S | S | * | * | trans | -54.5 | 130.5 | 157.3 | -79.7 | -72.2 | 163.5 | 0 | 0 | 105.2 | C147 S151 | C147-E149 PolarHBondContact O-N 3.24Å; E149-S151 PolarHBondContact O-N 2.92Å | ||
| 150 | P | 30.5 | Very low | 42.1 | Very low | 106 Ų | 106 | 104.1 Ų | 104.1 | 69% | 0.688 | 63% | 0.625 | S | S | * | * | trans | -60.7 | 101 | -171 | 22.2 | -30.9 | 0 | 0 | 0 | 109.4 | ||||
| 151 | S | 29.9 | Very low | 42.3 | Very low | 105 Ų | 105 | 104.3 Ų | 104.3 | 73% | 0.734 | 61% | 0.607 | S | S | * | * | trans | -101.8 | 118.6 | 172.1 | 60.6 | 0 | 0 | 0 | 0 | 108.7 | E149 E153 | E149-S151 PolarHBondContact O-N 2.92Å; S151-E153 PolarHBondContact O-N 3.27Å | ||
| 152 | D | 37.5 | Very low | 43.2 | Very low | 152 Ų | 152 | 107.9 Ų | 107.9 | 81% | 0.813 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -62.3 | 26.7 | -165.3 | -77.8 | -44.3 | 0 | 0 | 0 | 118.1 | ||
| 153 | E | 32.3 | Very low | 44.9 | Very low | 171 Ų | 171 | 107.2 Ų | 107.2 | 80% | 0.799 | 62% | 0.623 | S | S | * | * | trans | -128.6 | 41.4 | -165.8 | -66.1 | -171.8 | 167.3 | 0 | 0 | 116.7 | S151 | S151-E153 PolarHBondContact O-N 3.27Š| ||
| 154 | L | 35.9 | Very low | 47.1 | Very low | 110 Ų | 110 | 106.3 Ų | 106.3 | 58% | 0.576 | 61% | 0.607 | S | S | * | * | trans | -149.2 | 85.2 | 160.1 | -70.7 | 178.9 | 0 | 0 | 0 | 112.3 | G156 E157 S158 | L154-G156 PolarHBondContact O-N 3.18Å; L154-E157 WeakPolarHBondContact CD1-OE2 3.49Å; L154-E157 PolarHBondContact O-N 3.38Å; L154-S158 WeakPolarHBondContact O-CB 3.27Å; L154-S158 PolarHBondContact O-N 3.07Å; L154-S158 VanDerWaalsContact O-N 3.13Å; L154-S158 PolarHBondContact O-OG 2.69Å; L154-S158 VanDerWaalsContact O-OG 3.09Å | ||
| 155 | N | 36.9 | Very low | 49.5 | Very low | 159 Ų | 159 | 99.6 Ų | 99.6 | 85% | 0.85 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | 8.4 | -167.8 | -68.9 | -37.1 | 0 | 0 | 0 | 118.7 | ||
| 156 | G | 40.8 | Very low | 52.2 | Low | 58 Ų | 58 | 103 Ų | 103 | 60% | 0.598 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.5 | -28.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L154 | L154-G156 PolarHBondContact O-N 3.18Š|
| 157 | E | 44.6 | Very low | 55.1 | Low | 137 Ų | 137 | 97.3 Ų | 97.3 | 64% | 0.64 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -27.2 | 175.9 | -69.6 | 170.5 | 167.4 | 0 | 0 | 111.4 | L154 A159 N160 H161 | L154-E157 WeakPolarHBondContact CD1-OE2 3.49Å; L154-E157 PolarHBondContact O-N 3.38Å; E157-A159 PolarHBondContact O-N 2.97Å; E157-N160 PolarHBondContact O-N 3.3Å; E157-H161 WeakPolarHBondContact O-CB 3.49Å; E157-H161 PolarHBondContact O-N 3.38Å |
| 158 | S | 44.6 | Very low | 57.8 | Low | 42 Ų | 42 | 93.5 Ų | 93.5 | 29% | 0.294 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.8 | -45 | 177.7 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | L154 N160 H161 E162 | L154-S158 WeakPolarHBondContact O-CB 3.27Å; L154-S158 PolarHBondContact O-N 3.07Å; L154-S158 VanDerWaalsContact O-N 3.13Å; L154-S158 PolarHBondContact O-OG 2.69Å; L154-S158 VanDerWaalsContact O-OG 3.09Å; S158-N160 PolarHBondContact O-N 2.88Å; S158-H161 PolarHBondContact O-N 3.28Å; S158-E162 WeakPolarHBondContact O-CB 3.44Å; S158-E162 WeakPolarHBondContact O-CG 3.34Å; S158-E162 PolarHBondContact O-N 2.99Å |
| 159 | A | 47.6 | Very low | 60.8 | Low | 63 Ų | 63 | 92.9 Ų | 92.9 | 52% | 0.521 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -37.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E157 G163 | E157-A159 PolarHBondContact O-N 2.97Å; A159-G163 PolarHBondContact O-N 3.27Å |
| 160 | N | 66.8 | Low | 64.1 | Low | 129 Ų | 129 | 90.4 Ų | 90.4 | 69% | 0.69 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -73.7 | -34.7 | 175.6 | -80.5 | -9.5 | 0 | 0 | 0 | 111.8 | E157 S158 T164 | E157-N160 PolarHBondContact O-N 3.3Å; S158-N160 PolarHBondContact O-N 2.88Å; N160-T164 WeakPolarHBondContact O-CB 3.23Å; N160-T164 PolarHBondContact O-N 3Å; N160-T164 PolarHBondContact O-OG1 3.3Å |
| 161 | H | 72.6 | Confident | 67.2 | Low | 73 Ų | 73 | 85.3 Ų | 85.3 | 34% | 0.338 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.2 | -48.4 | 176.1 | -171.3 | 69.9 | 0 | 0 | 0 | 111.7 | E157 S158 G163 T164 V165 | E157-H161 WeakPolarHBondContact O-CB 3.49Å; E157-H161 PolarHBondContact O-N 3.38Å; S158-H161 PolarHBondContact O-N 3.28Å; H161-G163 VanDerWaalsContact C-N 3.34Å; H161-G163 PolarHBondContact O-N 2.96Å; H161-T164 WeakPolarHBondContact O-CA 3.37Å; H161-T164 WeakPolarHBondContact O-CB 3.31Å; H161-T164 PolarHBondContact O-N 3.1Å; H161-V165 WeakPolarHBondContact O-CG2 3.32Å; H161-V165 PolarHBondContact O-N 3.29Å |
| 162 | E | 79.1 | Confident | 70.5 | Confident | 112 Ų | 112 | 80.3 Ų | 80.3 | 52% | 0.523 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -55.7 | -48.3 | 176.4 | -75.4 | 171.7 | -166.5 | 0 | 0 | 111.1 | S158 T164 V165 E166 | S158-E162 WeakPolarHBondContact O-CB 3.44Å; S158-E162 WeakPolarHBondContact O-CG 3.34Å; S158-E162 PolarHBondContact O-N 2.99Å; E162-T164 VanDerWaalsContact C-N 3.3Å; E162-T164 PolarHBondContact O-N 3.46Å; E162-V165 PolarHBondContact O-N 3.3Å; E162-E166 WeakPolarHBondContact O-CG 3.12Å; E162-E166 PolarHBondContact O-N 3.47Å |
| 163 | G | 86.1 | Confident | 73.3 | Confident | 27 Ų | 27 | 76 Ų | 76 | 28% | 0.278 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.1 | -37.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A159 H161 L167 | A159-G163 PolarHBondContact O-N 3.27Å; H161-G163 VanDerWaalsContact C-N 3.34Å; H161-G163 PolarHBondContact O-N 2.96Å; G163-L167 WeakPolarHBondContact O-CB 3.34Å; G163-L167 WeakPolarHBondContact O-CG 3.1Å; G163-L167 PolarHBondContact O-N 3.24Å |
| 164 | T | 90 | Very high | 76.3 | Confident | 30 Ų | 30 | 72.4 Ų | 72.4 | 18% | 0.184 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 176.1 | -65.6 | 0 | 0 | 0 | 0 | 111.7 | N160 H161 E162 L167 I168 A200 | N160-T164 WeakPolarHBondContact O-CB 3.23Å; N160-T164 PolarHBondContact O-N 3Å; N160-T164 PolarHBondContact O-OG1 3.3Å; H161-T164 WeakPolarHBondContact O-CA 3.37Å; H161-T164 WeakPolarHBondContact O-CB 3.31Å; H161-T164 PolarHBondContact O-N 3.1Å; E162-T164 VanDerWaalsContact C-N 3.3Å; E162-T164 PolarHBondContact O-N 3.46Å; T164-L167 PolarHBondContact O-N 3.08Å; T164-I168 HydrophobicContact CG2-CD1 3.88Å; T164-I168 VanDerWaalsContact O-CG1 3.29Å; T164-I168 WeakPolarHBondContact O-CG1 3.24Å; T164-I168 PolarHBondContact O-N 3.45Å; T164-A200 HydrophobicContact CG2-CB 4.13Å |
| 165 | V | 91.5 | Very high | 79.3 | Confident | 44 Ų | 44 | 67.1 Ų | 67.1 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 179.2 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | H161 E162 L167 I168 H169 | H161-V165 WeakPolarHBondContact O-CG2 3.32Å; H161-V165 PolarHBondContact O-N 3.29Å; E162-V165 PolarHBondContact O-N 3.3Å; V165-L167 PolarHBondContact O-N 2.96Å; V165-I168 PolarHBondContact O-N 3.46Å; V165-H169 PolarHBondContact O-CD2 2.95Å; V165-H169 PolarHBondContact O-N 2.88Å |
| 166 | E | 93.7 | Very high | 82.1 | Confident | 132 Ų | 132 | 60.5 Ų | 60.5 | 62% | 0.617 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.4 | -46.1 | 175.1 | -73.2 | -175.3 | 172.2 | 0 | 0 | 112.2 | E162 I168 H169 L170 | E162-E166 WeakPolarHBondContact O-CG 3.12Å; E162-E166 PolarHBondContact O-N 3.47Å; E166-I168 VanDerWaalsContact C-N 3.34Å; E166-I168 PolarHBondContact O-N 2.61Å; E166-H169 PolarHBondContact O-N 2.71Å; E166-L170 WeakPolarHBondContact O-CG 3.42Å; E166-L170 PolarHBondContact O-N 2.9Å |
| 167 | L | 95.1 | Very high | 84.7 | Confident | 58 Ų | 58 | 61.4 Ų | 61.4 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 177.1 | -73.2 | 172.5 | 0 | 0 | 0 | 111.8 | G163 T164 V165 L170 D171 Y208 Q210 | G163-L167 WeakPolarHBondContact O-CB 3.34Å; G163-L167 WeakPolarHBondContact O-CG 3.1Å; G163-L167 PolarHBondContact O-N 3.24Å; T164-L167 PolarHBondContact O-N 3.08Å; V165-L167 PolarHBondContact O-N 2.96Å; L167-L170 PolarHBondContact O-N 3.38Å; L167-D171 WeakPolarHBondContact O-CB 3.49Å; L167-D171 PolarHBondContact O-N 3.25Å; L167-D171 VanDerWaalsContact O-N 3.08Å; L167-Y208 HydrophobicContact CB-CD1 3.85Å; L167-Y208 HydrophobicContact CB-CE1 3.88Å; L167-Q210 HydrophobicContact CD2-CG 4.02Å |
| 168 | I | 97.5 | Very high | 87 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.015 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 176.6 | -72.5 | 168.9 | 0 | 0 | 0 | 110.2 | T164 V165 E166 L170 D171 V172 L193 L196 Y208 | T164-I168 HydrophobicContact CG2-CD1 3.88Å; T164-I168 VanDerWaalsContact O-CG1 3.29Å; T164-I168 WeakPolarHBondContact O-CG1 3.24Å; T164-I168 PolarHBondContact O-N 3.45Å; V165-I168 PolarHBondContact O-N 3.46Å; E166-I168 VanDerWaalsContact C-N 3.34Å; E166-I168 PolarHBondContact O-N 2.61Å; I168-L170 PolarHBondContact O-N 3.12Å; I168-D171 PolarHBondContact O-N 2.9Å; I168-V172 HydrophobicContact CG2-CG2 4.23Å; I168-V172 WeakPolarHBondContact O-CB 3.49Å; I168-V172 VanDerWaalsContact O-CG2 3.29Å; I168-V172 WeakPolarHBondContact O-CG2 3.42Å; I168-V172 PolarHBondContact O-N 3.19Å; I168-L193 HydrophobicContact CG2-CD2 3.47Å; I168-L193 VanDerWaalsContact CG2-CD2 3.47Å; I168-L196 HydrophobicContact CD1-CB 4.05Å; I168-L196 HydrophobicContact CG1-CB 4.19Å; I168-L196 HydrophobicContact CG2-CB 4.12Å; I168-L196 HydrophobicContact CG2-CD1 3.86Å; I168-Y208 HydrophobicContact CB-CE1 4.4Å; I168-Y208 HydrophobicContact CD1-CD2 4.14Å; I168-Y208 HydrophobicContact CD1-CG 4.07Å; I168-Y208 HydrophobicContact CG1-CD1 3.59Å; I168-Y208 HydrophobicContact CG1-CD2 3.57Å; I168-Y208 HydrophobicContact CG1-CE1 3.74Å; I168-Y208 HydrophobicContact CG1-CE2 3.72Å; I168-Y208 HydrophobicContact CG1-CG 3.49Å; I168-Y208 VanDerWaalsContact CG1-CG 3.49Å |
| 169 | H | 96.2 | Very high | 89.4 | Confident | 74 Ų | 74 | 62.8 Ų | 62.8 | 34% | 0.343 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | -178.6 | -76.2 | -60.6 | 0 | 0 | 0 | 113.2 | V165 E166 D171 A173 Y189 | V165-H169 PolarHBondContact O-CD2 2.95Å; V165-H169 PolarHBondContact O-N 2.88Å; E166-H169 PolarHBondContact O-N 2.71Å; H169-D171 VanDerWaalsContact C-N 3.29Å; H169-D171 PolarHBondContact O-N 3.11Å; H169-A173 PolarHBondContact O-N 3.4Å; H169-A173 VanDerWaalsContact O-N 3.12Å; H169-Y189 PolarHBondContact ND1-OH 2.99Å |
| 170 | L | 96.4 | Very high | 91.7 | Very high | 113 Ų | 113 | 61.7 Ų | 61.7 | 59% | 0.592 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.8 | -41.2 | 175.8 | -72.8 | 173.2 | 0 | 0 | 0 | 111.7 | E166 L167 I168 R174 | E166-L170 WeakPolarHBondContact O-CG 3.42Å; E166-L170 PolarHBondContact O-N 2.9Å; L167-L170 PolarHBondContact O-N 3.38Å; I168-L170 PolarHBondContact O-N 3.12Å; L170-R174 WeakPolarHBondContact O-CG 3.33Å |
| 171 | D | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.5 | -47.7 | 179.1 | -102.4 | 33.6 | 0 | 0 | 0 | 112.9 | L167 I168 H169 A173 R174 T175 Y208 G211 S213 | L167-D171 WeakPolarHBondContact O-CB 3.49Å; L167-D171 PolarHBondContact O-N 3.25Å; L167-D171 VanDerWaalsContact O-N 3.08Å; I168-D171 PolarHBondContact O-N 2.9Å; H169-D171 VanDerWaalsContact C-N 3.29Å; H169-D171 PolarHBondContact O-N 3.11Å; D171-A173 PolarHBondContact O-N 3.17Å; D171-R174 CarbonylContact O-C 3.24Å; D171-R174 WeakPolarHBondContact O-CG 2.98Å; D171-R174 PolarHBondContact O-N 2.86Å; D171-R174 IonicContact OD1-CZ 3.95Å; D171-R174 IonicContact OD1-NE 3.02Å; D171-R174 PolarHBondContact OD1-NE 3.04Å; D171-R174 IonicContact OD1-NH2 3.6Å; D171-R174 PolarHBondContact OD1-NH2 2.91Å; D171-R174 IonicContact OD2-NH2 3.56Å; D171-T175 PolarHBondContact O-N 2.7Å; D171-T175 PolarHBondContact O-OG1 3.42Å; D171-Y208 WeakPolarHBondContact CB-OH 3.35Å; D171-Y208 PolarHBondContact OD2-OH 3.22Å; D171-G211 WeakPolarHBondContact OD2-CA 3.45Å; D171-G211 PolarHBondContact OD2-N 2.77Å; D171-S213 WeakPolarHBondContact CB-OG 3.43Å; D171-S213 PolarHBondContact OD2-OG 2.82Å; D171-S213 VanDerWaalsContact OD2-OG 3.11Å |
| 172 | V | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.1 | -38 | 177.8 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | I168 R174 T175 F182 Q183 Y189 L192 L193 L196 | I168-V172 HydrophobicContact CG2-CG2 4.23Å; I168-V172 WeakPolarHBondContact O-CB 3.49Å; I168-V172 VanDerWaalsContact O-CG2 3.29Å; I168-V172 WeakPolarHBondContact O-CG2 3.42Å; I168-V172 PolarHBondContact O-N 3.19Å; V172-R174 PolarHBondContact O-N 3.31Å; V172-T175 PolarHBondContact O-N 2.9Å; V172-F182 WeakPolarHBondContact CG1-O 3.36Å; V172-Q183 PolarHBondContact O-NE2 3.21Å; V172-Y189 HydrophobicContact CG1-CD2 3.63Å; V172-Y189 HydrophobicContact CG1-CE2 3.68Å; V172-L192 HydrophobicContact CB-CD2 4.46Å; V172-L192 HydrophobicContact CG1-CD2 4.18Å; V172-L192 HydrophobicContact CG2-CD2 3.82Å; V172-L192 HydrophobicContact CG2-CG 3.96Å; V172-L193 HydrophobicContact CG2-CD2 3.98Å; V172-L196 HydrophobicContact CG2-CD1 3.9Å |
| 173 | A | 97 | Very high | 95.2 | Very high | 60 Ų | 60 | 50.5 Ų | 50.5 | 50% | 0.496 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.5 | -30.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | H169 D171 | H169-A173 PolarHBondContact O-N 3.4Å; H169-A173 VanDerWaalsContact O-N 3.12Å; D171-A173 PolarHBondContact O-N 3.17Å |
| 174 | R | 95.8 | Very high | 95.7 | Very high | 96 Ų | 96 | 57.9 Ų | 57.9 | 36% | 0.362 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -101.3 | -1.5 | 179.4 | 64.9 | -176.2 | -178.9 | 172.1 | 4.7 | 114.4 | L170 D171 V172 F176 P177 F214 | L170-R174 WeakPolarHBondContact O-CG 3.33Å; D171-R174 CarbonylContact O-C 3.24Å; D171-R174 WeakPolarHBondContact O-CG 2.98Å; D171-R174 PolarHBondContact O-N 2.86Å; D171-R174 IonicContact OD1-CZ 3.95Å; D171-R174 IonicContact OD1-NE 3.02Å; D171-R174 PolarHBondContact OD1-NE 3.04Å; D171-R174 IonicContact OD1-NH2 3.6Å; D171-R174 PolarHBondContact OD1-NH2 2.91Å; D171-R174 IonicContact OD2-NH2 3.56Å; V172-R174 PolarHBondContact O-N 3.31Å; R174-F176 PolarHBondContact O-N 2.95Å; R174-P177 WeakPolarHBondContact O-CD 3.44Å; R174-F214 HydrophobicContact CG-CZ 4.47Å |
| 175 | T | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -78.6 | 112.8 | 176.7 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | D171 V172 Q183 L192 S213 F214 A217 | D171-T175 PolarHBondContact O-N 2.7Å; D171-T175 PolarHBondContact O-OG1 3.42Å; V172-T175 PolarHBondContact O-N 2.9Å; T175-Q183 PolarHBondContact O-NE2 3.44Å; T175-L192 HydrophobicContact CG2-CD2 4.39Å; T175-S213 VanDerWaalsContact OG1-CB 3.24Å; T175-S213 WeakPolarHBondContact OG1-CB 3.5Å; T175-S213 PolarHBondContact OG1-OG 2.92Å; T175-F214 HydrophobicContact CG2-CD1 4.08Å; T175-F214 HydrophobicContact CG2-CE1 4.44Å; T175-F214 HydrophobicContact CG2-CG 4.38Å; T175-A217 HydrophobicContact CG2-CB 3.47Å; T175-A217 VanDerWaalsContact CG2-CB 3.47Å |
| 176 | F | 95.8 | Very high | 96.2 | Very high | 19 Ų | 19 | 58.7 Ų | 58.7 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | S | Bend | trans | 42.4 | 55.4 | -179.1 | -57.4 | -62.5 | 0 | 0 | 0 | 114.2 | R174 T178 L179 F182 F214 A217 V218 A294 L299 | R174-F176 PolarHBondContact O-N 2.95Å; F176-T178 PolarHBondContact O-N 2.88Å; F176-L179 HydrophobicContact CB-CD1 3.63Å; F176-L179 HydrophobicContact CB-CG 3.99Å; F176-L179 HydrophobicContact CG-CD1 4.2Å; F176-L179 WeakPolarHBondContact O-CB 3.29Å; F176-L179 PolarHBondContact O-N 3.34Å; F176-F182 HydrophobicContact CB-CD2 4.4Å; F176-F182 HydrophobicContact CD2-CD2 4.46Å; F176-F182 HydrophobicContact CD2-CE2 4.21Å; F176-F214 HydrophobicContact CE2-CD1 4.47Å; F176-F214 HydrophobicContact CZ-CD1 4.4Å; F176-A217 HydrophobicContact CD2-CB 4.07Å; F176-A217 HydrophobicContact CE2-CB 4.05Å; F176-V218 HydrophobicContact CE2-CG2 3.82Å; F176-V218 HydrophobicContact CZ-CG2 3.79Å; F176-A294 WeakPolarHBondContact CE1-O 3.49Å; F176-A294 HydrophobicContact CZ-CB 4.1Å; F176-A294 VanDerWaalsContact CZ-O 3.31Å; F176-A294 WeakPolarHBondContact CZ-O 3.49Å; F176-L299 HydrophobicContact CE1-CB 4.24Å; F176-L299 HydrophobicContact CE1-CD1 4.31Å; F176-L299 HydrophobicContact CE2-CD1 4.3Å; F176-L299 HydrophobicContact CZ-CD1 3.98Å |
| 177 | P | 95.3 | Very high | 96.4 | Very high | 77 Ų | 77 | 57.2 Ų | 57.2 | 50% | 0.5 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -23.1 | -168.4 | 27.2 | -35.9 | 0 | 0 | 0 | 113.5 | R174 L179 G180 | R174-P177 WeakPolarHBondContact O-CD 3.44Å; P177-L179 PolarHBondContact O-N 2.77Å; P177-G180 PolarHBondContact O-N 3.4Å |
| 178 | T | 93.7 | Very high | 96.6 | Very high | 135 Ų | 135 | 57.4 Ų | 57.4 | 83% | 0.828 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -19 | 177 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | F176 | F176-T178 PolarHBondContact O-N 2.88Š|
| 179 | L | 94.8 | Very high | 96.6 | Very high | 74 Ų | 74 | 58.7 Ų | 58.7 | 39% | 0.387 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -29.9 | 175.8 | -59 | 179.7 | 0 | 0 | 0 | 112 | F176 P177 I181 F182 L299 | F176-L179 HydrophobicContact CB-CD1 3.63Å; F176-L179 HydrophobicContact CB-CG 3.99Å; F176-L179 HydrophobicContact CG-CD1 4.2Å; F176-L179 WeakPolarHBondContact O-CB 3.29Å; F176-L179 PolarHBondContact O-N 3.34Å; P177-L179 PolarHBondContact O-N 2.77Å; L179-I181 HydrophobicContact CB-CD1 4.24Å; L179-I181 HydrophobicContact CB-CG1 3.93Å; L179-I181 HydrophobicContact CD1-CD1 4.19Å; L179-I181 PolarHBondContact O-N 3.44Å; L179-I181 VanDerWaalsContact O-N 3.08Å; L179-F182 HydrophobicContact CD1-CE2 4.45Å; L179-L299 HydrophobicContact CD1-CD2 3.85Å |
| 180 | G | 95.9 | Very high | 96.7 | Very high | 40 Ų | 40 | 60.3 Ų | 60.3 | 41% | 0.412 | 35% | 0.352 | S | S | . | . | trans | 69.1 | -1.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | P177 | P177-G180 PolarHBondContact O-N 3.4Š| ||
| 181 | I | 98 | Very high | 96.8 | Very high | 42 Ų | 42 | 57.9 Ų | 57.9 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -88.1 | -24.7 | -174.7 | 63.8 | -179.5 | 0 | 0 | 0 | 113.6 | L179 G186 P187 F188 Y189 L221 | L179-I181 HydrophobicContact CB-CD1 4.24Å; L179-I181 HydrophobicContact CB-CG1 3.93Å; L179-I181 HydrophobicContact CD1-CD1 4.19Å; L179-I181 PolarHBondContact O-N 3.44Å; L179-I181 VanDerWaalsContact O-N 3.08Å; I181-G186 CarbonylContact O-C 3.45Å; I181-G186 WeakPolarHBondContact O-CA 3.38Å; I181-P187 HydrophobicContact CB-CG 4.37Å; I181-P187 HydrophobicContact CG2-CG 4.41Å; I181-F188 HydrophobicContact CB-CD2 4.02Å; I181-F188 HydrophobicContact CD1-CD2 4.07Å; I181-F188 HydrophobicContact CD1-CE2 4.41Å; I181-F188 HydrophobicContact CG1-CD2 4.29Å; I181-F188 WeakPolarHBondContact O-CA 3.16Å; I181-F188 WeakPolarHBondContact O-CB 3.49Å; I181-F188 PolarHBondContact O-N 3.17Å; I181-Y189 PolarHBondContact O-N 3.46Å; I181-L221 HydrophobicContact CD1-CD2 3.67Å |
| 182 | F | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -98 | -3.8 | 178.7 | -67.6 | -64.3 | 0 | 0 | 0 | 112.8 | V172 F176 L179 F188 Y189 L192 A217 L220 L221 | V172-F182 WeakPolarHBondContact CG1-O 3.36Å; F176-F182 HydrophobicContact CB-CD2 4.4Å; F176-F182 HydrophobicContact CD2-CD2 4.46Å; F176-F182 HydrophobicContact CD2-CE2 4.21Å; L179-F182 HydrophobicContact CD1-CE2 4.45Å; F182-F188 HydrophobicContact CD1-CB 3.52Å; F182-F188 HydrophobicContact CE1-CB 3.5Å; F182-F188 HydrophobicContact CE1-CD1 4.29Å; F182-F188 HydrophobicContact CE1-CG 4.14Å; F182-F188 HydrophobicContact CG-CB 4.43Å; F182-F188 HydrophobicContact CZ-CB 4.39Å; F182-Y189 VanDerWaalsContact O-CD2 3.29Å; F182-Y189 WeakPolarHBondContact O-CD2 3.46Å; F182-L192 HydrophobicContact CB-CD2 4.22Å; F182-L192 HydrophobicContact CD1-CB 4.06Å; F182-L192 HydrophobicContact CD1-CD2 3.57Å; F182-L192 HydrophobicContact CD1-CG 4.4Å; F182-L192 HydrophobicContact CE1-CB 4.39Å; F182-L192 HydrophobicContact CE1-CD2 4.14Å; F182-L192 HydrophobicContact CG-CD2 4.06Å; F182-A217 HydrophobicContact CD1-CB 4.48Å; F182-A217 HydrophobicContact CD2-CB 4.31Å; F182-A217 HydrophobicContact CE1-CB 3.95Å; F182-A217 HydrophobicContact CE2-CB 3.77Å; F182-A217 HydrophobicContact CZ-CB 3.56Å; F182-L220 HydrophobicContact CE1-CD2 4.17Å; F182-L221 HydrophobicContact CE2-CD1 4.11Å; F182-L221 HydrophobicContact CE2-CD2 4.25Å; F182-L221 HydrophobicContact CE2-CG 4.11Å; F182-L221 HydrophobicContact CZ-CD1 4.28Å; F182-L221 HydrophobicContact CZ-CD2 4.11Å; F182-L221 HydrophobicContact CZ-CG 3.84Å |
| 183 | Q | 97.4 | Very high | 96.9 | Very high | 36 Ų | 36 | 58.7 Ų | 58.7 | 17% | 0.168 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -85.9 | 161.1 | 178.6 | -74.9 | 62.1 | 55.7 | 0 | 0 | 109.6 | V172 T175 G185 G186 Y189 | V172-Q183 PolarHBondContact O-NE2 3.21Å; T175-Q183 PolarHBondContact O-NE2 3.44Å; Q183-G185 PolarHBondContact O-N 2.91Å; Q183-G186 WeakPolarHBondContact O-CA 3.19Å; Q183-G186 PolarHBondContact O-N 3.37Å; Q183-Y189 WeakPolarHBondContact O-CB 3.47Å |
| 184 | K | 95.4 | Very high | 96.9 | Very high | 182 Ų | 182 | 58.1 Ų | 58.1 | 79% | 0.791 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 123.9 | -178.1 | -171.9 | 171.1 | -175.2 | 168.2 | 0 | 111.5 | Y189 | K184-Y189 HydrophobicContact CB-CD2 4.44Å; K184-Y189 HydrophobicContact CB-CE1 4.38Å; K184-Y189 HydrophobicContact CB-CE2 4.07Å; K184-Y189 HydrophobicContact CG-CE1 4.16Å |
| 185 | G | 95.5 | Very high | 97 | Very high | 80 Ų | 80 | 53.7 Ų | 53.7 | 83% | 0.825 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | -3.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q183 | Q183-G185 PolarHBondContact O-N 2.91Š|
| 186 | G | 97.5 | Very high | 97.1 | Very high | 11 Ų | 11 | 53.7 Ų | 53.7 | 11% | 0.113 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -79.3 | 151.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I181 Q183 F188 Y189 | I181-G186 CarbonylContact O-C 3.45Å; I181-G186 WeakPolarHBondContact O-CA 3.38Å; Q183-G186 WeakPolarHBondContact O-CA 3.19Å; Q183-G186 PolarHBondContact O-N 3.37Å; G186-F188 PolarHBondContact O-N 3.43Å; G186-F188 VanDerWaalsContact O-N 3.16Å; G186-Y189 WeakPolarHBondContact O-CB 3.27Å; G186-Y189 PolarHBondContact O-N 3.31Å; G186-Y189 VanDerWaalsContact O-N 3.17Å |
| 187 | P | 97.6 | Very high | 97.1 | Very high | 102 Ų | 102 | 54.3 Ų | 54.3 | 66% | 0.662 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.9 | -171.8 | 23.1 | -32.6 | 0 | 0 | 0 | 115.1 | I181 | I181-P187 HydrophobicContact CB-CG 4.37Å; I181-P187 HydrophobicContact CG2-CG 4.41Å |
| 188 | F | 98.1 | Very high | 97.1 | Very high | 61 Ų | 61 | 51.6 Ų | 51.6 | 27% | 0.268 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 0.8 | 179.3 | -72.8 | -97.2 | 0 | 0 | 0 | 113.2 | I181 F182 G186 L191 L192 L220 | I181-F188 HydrophobicContact CB-CD2 4.02Å; I181-F188 HydrophobicContact CD1-CD2 4.07Å; I181-F188 HydrophobicContact CD1-CE2 4.41Å; I181-F188 HydrophobicContact CG1-CD2 4.29Å; I181-F188 WeakPolarHBondContact O-CA 3.16Å; I181-F188 WeakPolarHBondContact O-CB 3.49Å; I181-F188 PolarHBondContact O-N 3.17Å; F182-F188 HydrophobicContact CD1-CB 3.52Å; F182-F188 HydrophobicContact CE1-CB 3.5Å; F182-F188 HydrophobicContact CE1-CD1 4.29Å; F182-F188 HydrophobicContact CE1-CG 4.14Å; F182-F188 HydrophobicContact CG-CB 4.43Å; F182-F188 HydrophobicContact CZ-CB 4.39Å; G186-F188 PolarHBondContact O-N 3.43Å; G186-F188 VanDerWaalsContact O-N 3.16Å; F188-L191 HydrophobicContact CD1-CD1 4.09Å; F188-L192 WeakPolarHBondContact O-CB 3.28Å; F188-L192 PolarHBondContact O-N 2.82Å; F188-L220 HydrophobicContact CD1-CD2 3.93Å; F188-L220 HydrophobicContact CD1-CG 3.8Å; F188-L220 HydrophobicContact CE1-CG 4.22Å |
| 189 | Y | 98.3 | Very high | 97.2 | Very high | 30 Ų | 30 | 45.2 Ų | 45.2 | 12% | 0.118 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58 | -58.1 | -177.5 | 179.2 | -108.3 | 0 | 0 | 0 | 111.7 | H169 V172 I181 F182 Q183 K184 G186 L191 L192 L193 | H169-Y189 PolarHBondContact ND1-OH 2.99Å; V172-Y189 HydrophobicContact CG1-CD2 3.63Å; V172-Y189 HydrophobicContact CG1-CE2 3.68Å; I181-Y189 PolarHBondContact O-N 3.46Å; F182-Y189 VanDerWaalsContact O-CD2 3.29Å; F182-Y189 WeakPolarHBondContact O-CD2 3.46Å; Q183-Y189 WeakPolarHBondContact O-CB 3.47Å; K184-Y189 HydrophobicContact CB-CD2 4.44Å; K184-Y189 HydrophobicContact CB-CE1 4.38Å; K184-Y189 HydrophobicContact CB-CE2 4.07Å; K184-Y189 HydrophobicContact CG-CE1 4.16Å; G186-Y189 WeakPolarHBondContact O-CB 3.27Å; G186-Y189 PolarHBondContact O-N 3.31Å; G186-Y189 VanDerWaalsContact O-N 3.17Å; Y189-L191 VanDerWaalsContact C-N 3.33Å; Y189-L191 PolarHBondContact O-N 3.19Å; Y189-L192 PolarHBondContact O-N 2.91Å; Y189-L193 HydrophobicContact CD1-CD1 4Å; Y189-L193 HydrophobicContact CE1-CD1 3.52Å; Y189-L193 HydrophobicContact CE2-CD1 4.3Å; Y189-L193 WeakPolarHBondContact O-CG 3.31Å; Y189-L193 PolarHBondContact O-N 3.12Å |
| 190 | D | 97.9 | Very high | 97.2 | Very high | 108 Ų | 108 | 42.5 Ų | 42.5 | 58% | 0.578 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -67.2 | -36.6 | -177.2 | -58.7 | -41.7 | 0 | 0 | 0 | 111.5 | L192 L193 S194 | D190-L192 VanDerWaalsContact C-N 3.33Å; D190-L192 PolarHBondContact O-N 3.2Å; D190-L193 PolarHBondContact O-N 3.28Å; D190-S194 WeakPolarHBondContact O-CB 3.43Å; D190-S194 PolarHBondContact O-N 3.33Å; D190-S194 PolarHBondContact O-OG 3.35Å |
| 191 | L | 98.4 | Very high | 97.1 | Very high | 62 Ų | 62 | 44.8 Ų | 44.8 | 33% | 0.325 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 176.4 | -60.9 | -178.5 | 0 | 0 | 0 | 112.1 | F188 Y189 S194 I195 L220 L225 | F188-L191 HydrophobicContact CD1-CD1 4.09Å; Y189-L191 VanDerWaalsContact C-N 3.33Å; Y189-L191 PolarHBondContact O-N 3.19Å; L191-S194 PolarHBondContact O-N 3.09Å; L191-I195 PolarHBondContact O-N 2.88Å; L191-I195 VanDerWaalsContact O-N 3.15Å; L191-L220 HydrophobicContact CB-CD1 4.31Å; L191-L220 HydrophobicContact CB-CD2 3.61Å; L191-L225 HydrophobicContact CB-CD1 4.26Å; L191-L225 HydrophobicContact CD2-CD1 4.29Å; L191-L225 HydrophobicContact CD2-CD2 4.03Å |
| 192 | L | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.1 | -41.5 | 177.3 | -178.1 | 57.4 | 0 | 0 | 0 | 111.2 | V172 T175 F182 F188 Y189 D190 S194 I195 L196 A216 A217 L220 | V172-L192 HydrophobicContact CB-CD2 4.46Å; V172-L192 HydrophobicContact CG1-CD2 4.18Å; V172-L192 HydrophobicContact CG2-CD2 3.82Å; V172-L192 HydrophobicContact CG2-CG 3.96Å; T175-L192 HydrophobicContact CG2-CD2 4.39Å; F182-L192 HydrophobicContact CB-CD2 4.22Å; F182-L192 HydrophobicContact CD1-CB 4.06Å; F182-L192 HydrophobicContact CD1-CD2 3.57Å; F182-L192 HydrophobicContact CD1-CG 4.4Å; F182-L192 HydrophobicContact CE1-CB 4.39Å; F182-L192 HydrophobicContact CE1-CD2 4.14Å; F182-L192 HydrophobicContact CG-CD2 4.06Å; F188-L192 WeakPolarHBondContact O-CB 3.28Å; F188-L192 PolarHBondContact O-N 2.82Å; Y189-L192 PolarHBondContact O-N 2.91Å; D190-L192 VanDerWaalsContact C-N 3.33Å; D190-L192 PolarHBondContact O-N 3.2Å; L192-S194 VanDerWaalsContact C-N 3.29Å; L192-S194 PolarHBondContact O-N 2.86Å; L192-I195 PolarHBondContact O-N 3.02Å; L192-L196 HydrophobicContact CD1-CD1 4.16Å; L192-L196 HydrophobicContact CD1-CG 4.27Å; L192-L196 HydrophobicContact CG-CD1 4.15Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.37Å; L192-L196 PolarHBondContact O-N 3.28Å; L192-A216 HydrophobicContact CD1-CB 3.56Å; L192-A217 HydrophobicContact CD1-CB 4.3Å; L192-A217 HydrophobicContact CD2-CB 4.2Å; L192-L220 HydrophobicContact CB-CD2 4.19Å |
| 193 | L | 98 | Very high | 96.7 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 9% | 0.089 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.5 | -42.9 | 173.1 | -68 | 178.3 | 0 | 0 | 0 | 111.6 | I168 V172 Y189 D190 L196 S197 | I168-L193 HydrophobicContact CG2-CD2 3.47Å; I168-L193 VanDerWaalsContact CG2-CD2 3.47Å; V172-L193 HydrophobicContact CG2-CD2 3.98Å; Y189-L193 HydrophobicContact CD1-CD1 4Å; Y189-L193 HydrophobicContact CE1-CD1 3.52Å; Y189-L193 HydrophobicContact CE2-CD1 4.3Å; Y189-L193 WeakPolarHBondContact O-CG 3.31Å; Y189-L193 PolarHBondContact O-N 3.12Å; D190-L193 PolarHBondContact O-N 3.28Å; L193-L196 PolarHBondContact O-N 2.83Å; L193-S197 VanDerWaalsContact O-CB 3.31Å; L193-S197 WeakPolarHBondContact O-CB 3.09Å; L193-S197 PolarHBondContact O-N 3.09Å; L193-S197 PolarHBondContact O-OG 2.84Å |
| 194 | S | 97.6 | Very high | 96.4 | Very high | 49 Ų | 49 | 50.5 Ų | 50.5 | 34% | 0.343 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 178.6 | -65.5 | 0 | 0 | 0 | 0 | 112.3 | D190 L191 L192 L196 A198 | D190-S194 WeakPolarHBondContact O-CB 3.43Å; D190-S194 PolarHBondContact O-N 3.33Å; D190-S194 PolarHBondContact O-OG 3.35Å; L191-S194 PolarHBondContact O-N 3.09Å; L192-S194 VanDerWaalsContact C-N 3.29Å; L192-S194 PolarHBondContact O-N 2.86Å; S194-L196 PolarHBondContact O-N 3.02Å; S194-A198 WeakPolarHBondContact O-CB 3.3Å; S194-A198 PolarHBondContact O-N 2.87Å |
| 195 | I | 98.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 178 | -69.9 | 178.4 | 0 | 0 | 0 | 111.2 | L191 L192 Y199 A216 L220 L225 A228 F229 F232 | L191-I195 PolarHBondContact O-N 2.88Å; L191-I195 VanDerWaalsContact O-N 3.15Å; L192-I195 PolarHBondContact O-N 3.02Å; I195-Y199 WeakPolarHBondContact O-CB 3.31Å; I195-Y199 PolarHBondContact O-N 3.47Å; I195-A216 HydrophobicContact CG2-CB 3.89Å; I195-L220 HydrophobicContact CD1-CB 4.18Å; I195-L220 HydrophobicContact CD1-CD1 4Å; I195-L220 HydrophobicContact CD1-CD2 4.25Å; I195-L220 HydrophobicContact CD1-CG 4.36Å; I195-L225 HydrophobicContact CD1-CD1 3.98Å; I195-L225 HydrophobicContact CG1-CD1 3.63Å; I195-A228 HydrophobicContact CD1-CB 3.63Å; I195-F229 HydrophobicContact CG1-CB 4.45Å; I195-F229 HydrophobicContact CG2-CD2 4.35Å; I195-F232 HydrophobicContact CG2-CB 4.37Å; I195-F232 HydrophobicContact CG2-CD1 3.82Å; I195-F232 HydrophobicContact CG2-CE1 4.26Å; I195-F232 HydrophobicContact CG2-CG 4.12Å |
| 196 | L | 98.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.5 | -42.5 | -175.4 | -65.2 | 176.7 | 0 | 0 | 0 | 111.9 | I168 V172 L192 L193 S194 Y199 A200 Y208 M212 A216 F232 | I168-L196 HydrophobicContact CD1-CB 4.05Å; I168-L196 HydrophobicContact CG1-CB 4.19Å; I168-L196 HydrophobicContact CG2-CB 4.12Å; I168-L196 HydrophobicContact CG2-CD1 3.86Å; V172-L196 HydrophobicContact CG2-CD1 3.9Å; L192-L196 HydrophobicContact CD1-CD1 4.16Å; L192-L196 HydrophobicContact CD1-CG 4.27Å; L192-L196 HydrophobicContact CG-CD1 4.15Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.37Å; L192-L196 PolarHBondContact O-N 3.28Å; L193-L196 PolarHBondContact O-N 2.83Å; S194-L196 PolarHBondContact O-N 3.02Å; L196-Y199 PolarHBondContact O-N 2.89Å; L196-A200 PolarHBondContact O-N 3.18Å; L196-Y208 HydrophobicContact CB-CD2 4.34Å; L196-Y208 HydrophobicContact CB-CE2 4.23Å; L196-Y208 HydrophobicContact CD1-CE2 3.93Å; L196-Y208 HydrophobicContact CD2-CD2 4.29Å; L196-Y208 HydrophobicContact CD2-CE2 3.78Å; L196-Y208 HydrophobicContact CG-CE2 4.18Å; L196-M212 HydrophobicContact CD2-CB 4.2Å; L196-A216 HydrophobicContact CD2-CB 3.74Å; L196-A216 HydrophobicContact CG-CB 4.41Å; L196-F232 HydrophobicContact CD2-CE1 4.31Å; L196-F232 HydrophobicContact CD2-CZ 3.95Å |
| 197 | S | 96.3 | Very high | 95.6 | Very high | 31 Ų | 31 | 43.4 Ų | 43.4 | 22% | 0.217 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.3 | -45.9 | 178.1 | -51.8 | 0 | 0 | 0 | 0 | 110.9 | L193 Y199 A200 C201 | L193-S197 VanDerWaalsContact O-CB 3.31Å; L193-S197 WeakPolarHBondContact O-CB 3.09Å; L193-S197 PolarHBondContact O-N 3.09Å; L193-S197 PolarHBondContact O-OG 2.84Å; S197-Y199 VanDerWaalsContact C-N 3.25Å; S197-Y199 PolarHBondContact O-N 3.22Å; S197-A200 PolarHBondContact O-N 3.47Å; S197-C201 PolarHBondContact O-N 3.05Å; S197-C201 PolarHBondContact O-SG 3.19Å; S197-C201 VanDerWaalsContact O-SG 3.39Å |
| 198 | A | 96.1 | Very high | 95.5 | Very high | 21 Ų | 21 | 39.2 Ų | 39.2 | 17% | 0.174 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.8 | -38.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S194 C201 Y202 F229 | S194-A198 WeakPolarHBondContact O-CB 3.3Å; S194-A198 PolarHBondContact O-N 2.87Å; A198-C201 PolarHBondContact O-N 3.35Å; A198-Y202 VanDerWaalsContact O-CB 3.23Å; A198-Y202 WeakPolarHBondContact O-CB 3.48Å; A198-Y202 PolarHBondContact O-N 3.23Å; A198-F229 HydrophobicContact CB-CD2 4.09Å; A198-F229 HydrophobicContact CB-CE2 3.61Å; A198-F229 HydrophobicContact CB-CZ 4.09Å |
| 199 | Y | 96.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.7 | -44.2 | 177.3 | 178.9 | -92.1 | 0 | 0 | 0 | 111.9 | I195 L196 S197 C201 Y202 R203 V206 G207 M212 F232 L236 | I195-Y199 WeakPolarHBondContact O-CB 3.31Å; I195-Y199 PolarHBondContact O-N 3.47Å; L196-Y199 PolarHBondContact O-N 2.89Å; S197-Y199 VanDerWaalsContact C-N 3.25Å; S197-Y199 PolarHBondContact O-N 3.22Å; Y199-C201 PolarHBondContact O-N 3.22Å; Y199-Y202 PolarHBondContact O-N 3.11Å; Y199-Y202 VanDerWaalsContact O-N 3.09Å; Y199-R203 HydrophobicContact CE1-CB 4.25Å; Y199-R203 HydrophobicContact CE2-CB 4.3Å; Y199-R203 HydrophobicContact CE2-CG 4.03Å; Y199-R203 PolarHBondContact O-N 3.04Å; Y199-V206 HydrophobicContact CE1-CG1 4.35Å; Y199-G207 WeakPolarHBondContact CE1-O 3.43Å; Y199-M212 HydrophobicContact CD1-CE 4.46Å; Y199-M212 HydrophobicContact CD1-SD 4.11Å; Y199-M212 HydrophobicContact CE1-CE 3.69Å; Y199-M212 HydrophobicContact CE1-SD 3.93Å; Y199-F232 AromaticContact CD1-CE1 3.99Å; Y199-F232 HydrophobicContact CD1-CE1 3.99Å; Y199-F232 AromaticContact CD2-CD1 3.71Å; Y199-F232 HydrophobicContact CD2-CD1 3.71Å; Y199-F232 AromaticContact CD2-CE1 3.68Å; Y199-F232 HydrophobicContact CD2-CE1 3.68Å; Y199-F232 HydrophobicContact CE2-CD1 4.47Å; Y199-F232 HydrophobicContact CE2-CE1 4.38Å; Y199-F232 AromaticContact CG-CD1 3.9Å; Y199-F232 HydrophobicContact CG-CD1 3.9Å; Y199-F232 AromaticContact CG-CE1 3.45Å; Y199-F232 HydrophobicContact CG-CE1 3.45Å; Y199-F232 VanDerWaalsContact CG-CE1 3.45Å; Y199-L236 HydrophobicContact CD1-CD1 4.35Å; Y199-L236 HydrophobicContact CD2-CD1 4.23Å; Y199-L236 HydrophobicContact CE1-CD1 3.83Å; Y199-L236 HydrophobicContact CE2-CB 4.12Å; Y199-L236 HydrophobicContact CE2-CD1 3.68Å; Y199-L236 HydrophobicContact CE2-CG 4.44Å; Y199-L236 VanDerWaalsContact CZ-CD1 3.45Å |
| 200 | A | 95.1 | Very high | 94.9 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 13% | 0.132 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.8 | -35.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | T164 L196 S197 | T164-A200 HydrophobicContact CG2-CB 4.13Å; L196-A200 PolarHBondContact O-N 3.18Å; S197-A200 PolarHBondContact O-N 3.47Å |
| 201 | C | 93.9 | Very high | 94.7 | Very high | 88 Ų | 88 | 35.8 Ų | 35.8 | 60% | 0.595 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -73.5 | -39.2 | 172.6 | -64.6 | 0 | 0 | 0 | 0 | 113.2 | S197 A198 Y199 | S197-C201 PolarHBondContact O-N 3.05Å; S197-C201 PolarHBondContact O-SG 3.19Å; S197-C201 VanDerWaalsContact O-SG 3.39Å; A198-C201 PolarHBondContact O-N 3.35Å; Y199-C201 PolarHBondContact O-N 3.22Å |
| 202 | Y | 94.4 | Very high | 94.6 | Very high | 62 Ų | 62 | 32.8 Ų | 32.8 | 24% | 0.243 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.1 | -34.4 | -178.7 | 176.1 | -108.2 | 0 | 0 | 0 | 112.7 | L135 V137 A198 Y199 P204 F229 C233 | L135-Y202 HydrophobicContact CD1-CE1 4.27Å; V137-Y202 HydrophobicContact CG2-CE1 4.36Å; A198-Y202 VanDerWaalsContact O-CB 3.23Å; A198-Y202 WeakPolarHBondContact O-CB 3.48Å; A198-Y202 PolarHBondContact O-N 3.23Å; Y199-Y202 PolarHBondContact O-N 3.11Å; Y199-Y202 VanDerWaalsContact O-N 3.09Å; Y202-P204 VanDerWaalsContact C-CD 3.5Å; Y202-P204 WeakPolarHBondContact O-CD 3.44Å; Y202-F229 HydrophobicContact CD1-CZ 4.46Å; Y202-F229 HydrophobicContact CG-CZ 4.19Å; Y202-C233 HydrophobicContact CD1-CB 4.34Å; Y202-C233 VanDerWaalsContact CD1-SG 3.56Å; Y202-C233 HydrophobicContact CE1-CB 4.01Å |
| 203 | R | 91.7 | Very high | 94.6 | Very high | 30 Ų | 30 | 32.8 Ų | 32.8 | 11% | 0.113 | 19% | 0.194 | C | C | . | . | trans | -124 | 69.3 | 178.3 | -70.2 | -61.6 | -60.5 | -87.3 | -6 | 111.2 | Y199 D205 V206 G207 N237 R246 | Y199-R203 HydrophobicContact CE1-CB 4.25Å; Y199-R203 HydrophobicContact CE2-CB 4.3Å; Y199-R203 HydrophobicContact CE2-CG 4.03Å; Y199-R203 PolarHBondContact O-N 3.04Å; R203-D205 IonicContact CZ-OD1 3.61Å; R203-D205 IonicContact CZ-OD2 3.54Å; R203-D205 IonicContact NE-OD1 2.67Å; R203-D205 PolarHBondContact NE-OD1 3.23Å; R203-D205 IonicContact NE-OD2 3.48Å; R203-D205 PolarHBondContact NE-OD2 2.9Å; R203-D205 IonicContact NH2-OD1 3.75Å; R203-D205 IonicContact NH2-OD2 2.61Å; R203-D205 PolarHBondContact NH2-OD2 2.81Å; R203-D205 PolarHBondContact O-N 2.91Å; R203-D205 VanDerWaalsContact O-N 3.13Å; R203-V206 HydrophobicContact CB-CB 4.34Å; R203-V206 HydrophobicContact CB-CG2 4.43Å; R203-V206 PolarHBondContact O-N 2.76Å; R203-G207 PolarHBondContact O-N 3.17Å; R203-N237 PolarHBondContact NH1-OD1 3.39Å; R203-R246 VanDerWaalsContact NH2-NH2 3.18Å | ||
| 204 | P | 90.9 | Very high | 94.6 | Very high | 106 Ų | 106 | 32.6 Ų | 32.6 | 69% | 0.688 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -20.1 | -179.6 | 28.3 | -35.5 | 0 | 0 | 0 | 112.7 | Y202 V206 | Y202-P204 VanDerWaalsContact C-CD 3.5Å; Y202-P204 WeakPolarHBondContact O-CD 3.44Å; P204-V206 VanDerWaalsContact C-N 3.26Å; P204-V206 PolarHBondContact O-N 3.26Å |
| 205 | D | 89.7 | Confident | 94.6 | Very high | 86 Ų | 86 | 30.3 Ų | 30.3 | 46% | 0.46 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -21.1 | 173.6 | 67 | -63.7 | 0 | 0 | 0 | 113.7 | R203 R246 | R203-D205 IonicContact CZ-OD1 3.61Å; R203-D205 IonicContact CZ-OD2 3.54Å; R203-D205 IonicContact NE-OD1 2.67Å; R203-D205 PolarHBondContact NE-OD1 3.23Å; R203-D205 IonicContact NE-OD2 3.48Å; R203-D205 PolarHBondContact NE-OD2 2.9Å; R203-D205 IonicContact NH2-OD1 3.75Å; R203-D205 IonicContact NH2-OD2 2.61Å; R203-D205 PolarHBondContact NH2-OD2 2.81Å; R203-D205 PolarHBondContact O-N 2.91Å; R203-D205 VanDerWaalsContact O-N 3.13Å; D205-R246 IonicContact OD2-CZ 2.88Å; D205-R246 IonicContact OD2-NE 3.78Å; D205-R246 IonicContact OD2-NH2 3.75Å; D205-R246 PolarHBondContact OD2-NH2 3.12Å |
| 206 | V | 91.2 | Very high | 94.6 | Very high | 22 Ų | 22 | 30.2 Ų | 30.2 | 13% | 0.133 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -41.2 | 174.1 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | Y199 R203 P204 V209 M212 L242 F245 R246 | Y199-V206 HydrophobicContact CE1-CG1 4.35Å; R203-V206 HydrophobicContact CB-CB 4.34Å; R203-V206 HydrophobicContact CB-CG2 4.43Å; R203-V206 PolarHBondContact O-N 2.76Å; P204-V206 VanDerWaalsContact C-N 3.26Å; P204-V206 PolarHBondContact O-N 3.26Å; V206-V209 HydrophobicContact CG1-CG2 4.34Å; V206-M212 HydrophobicContact CG1-CE 3.83Å; V206-L242 HydrophobicContact CG2-CD2 4.45Å; V206-F245 HydrophobicContact CG1-CB 4.33Å; V206-R246 HydrophobicContact CG2-CG 4.24Å |
| 207 | G | 92.3 | Very high | 94.6 | Very high | 16 Ų | 16 | 30.1 Ų | 30.1 | 17% | 0.165 | 18% | 0.176 | C | C | . | . | trans | 64.1 | -157.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y199 R203 | Y199-G207 WeakPolarHBondContact CE1-O 3.43Å; R203-G207 PolarHBondContact O-N 3.17Å | ||
| 208 | Y | 94.3 | Very high | 94.7 | Very high | 15 Ų | 15 | 28.7 Ų | 28.7 | 6% | 0.059 | 17% | 0.165 | C | C | . | . | trans | -90.8 | 134.6 | 170.9 | 180 | -104.3 | 0 | 0 | 0 | 111 | L167 I168 D171 L196 M212 | L167-Y208 HydrophobicContact CB-CD1 3.85Å; L167-Y208 HydrophobicContact CB-CE1 3.88Å; I168-Y208 HydrophobicContact CB-CE1 4.4Å; I168-Y208 HydrophobicContact CD1-CD2 4.14Å; I168-Y208 HydrophobicContact CD1-CG 4.07Å; I168-Y208 HydrophobicContact CG1-CD1 3.59Å; I168-Y208 HydrophobicContact CG1-CD2 3.57Å; I168-Y208 HydrophobicContact CG1-CE1 3.74Å; I168-Y208 HydrophobicContact CG1-CE2 3.72Å; I168-Y208 HydrophobicContact CG1-CG 3.49Å; I168-Y208 VanDerWaalsContact CG1-CG 3.49Å; D171-Y208 WeakPolarHBondContact CB-OH 3.35Å; D171-Y208 PolarHBondContact OD2-OH 3.22Å; L196-Y208 HydrophobicContact CB-CD2 4.34Å; L196-Y208 HydrophobicContact CB-CE2 4.23Å; L196-Y208 HydrophobicContact CD1-CE2 3.93Å; L196-Y208 HydrophobicContact CD2-CD2 4.29Å; L196-Y208 HydrophobicContact CD2-CE2 3.78Å; L196-Y208 HydrophobicContact CG-CE2 4.18Å; Y208-M212 HydrophobicContact CD2-CB 4.15Å; Y208-M212 HydrophobicContact CD2-SD 4.1Å; Y208-M212 HydrophobicContact CE2-CB 3.69Å | ||
| 209 | V | 92.7 | Very high | 94.9 | Very high | 40 Ų | 40 | 27.7 Ų | 27.7 | 24% | 0.242 | 16% | 0.157 | C | C | . | . | trans | -123.4 | 135.7 | 175.1 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | V206 G211 M212 F245 | V206-V209 HydrophobicContact CG1-CG2 4.34Å; V209-G211 PolarHBondContact O-N 2.88Å; V209-M212 HydrophobicContact CB-CE 3.86Å; V209-M212 HydrophobicContact CB-CG 4.46Å; V209-M212 HydrophobicContact CB-SD 4.26Å; V209-M212 HydrophobicContact CG2-CE 3.85Å; V209-M212 PolarHBondContact N-SD 3.19Å; V209-M212 VanDerWaalsContact N-SD 3.37Å; V209-M212 VanDerWaalsContact O-CB 3.24Å; V209-M212 WeakPolarHBondContact O-CB 3.38Å; V209-M212 WeakPolarHBondContact O-CG 3.4Å; V209-M212 PolarHBondContact O-N 2.76Å; V209-M212 VanDerWaalsContact O-N 3.13Å; V209-F245 HydrophobicContact CB-CD1 3.79Å; V209-F245 HydrophobicContact CB-CE1 4.39Å; V209-F245 HydrophobicContact CG1-CD1 3.94Å; V209-F245 HydrophobicContact CG2-CD1 4.31Å | ||
| 210 | Q | 91.9 | Very high | 95 | Very high | 85 Ų | 85 | 27.9 Ų | 27.9 | 40% | 0.397 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 132.5 | 179.6 | -72 | -173 | -8.8 | 0 | 0 | 111.8 | L167 Y290 | L167-Q210 HydrophobicContact CD2-CG 4.02Å; Q210-Y290 WeakPolarHBondContact O-CE2 3.49Å; Q210-Y290 PolarHBondContact O-OH 3.27Å |
| 211 | G | 92.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.2 | -14.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D171 V209 S213 F214 | D171-G211 WeakPolarHBondContact OD2-CA 3.45Å; D171-G211 PolarHBondContact OD2-N 2.77Å; V209-G211 PolarHBondContact O-N 2.88Å; G211-S213 PolarHBondContact O-N 3.2Å; G211-F214 PolarHBondContact O-N 2.91Å |
| 212 | M | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.5 | -31.3 | 172 | -82.9 | -175.9 | 179.3 | 0 | 0 | 113 | L196 Y199 V206 Y208 V209 F214 V215 A216 F232 L236 F245 | L196-M212 HydrophobicContact CD2-CB 4.2Å; Y199-M212 HydrophobicContact CD1-CE 4.46Å; Y199-M212 HydrophobicContact CD1-SD 4.11Å; Y199-M212 HydrophobicContact CE1-CE 3.69Å; Y199-M212 HydrophobicContact CE1-SD 3.93Å; V206-M212 HydrophobicContact CG1-CE 3.83Å; Y208-M212 HydrophobicContact CD2-CB 4.15Å; Y208-M212 HydrophobicContact CD2-SD 4.1Å; Y208-M212 HydrophobicContact CE2-CB 3.69Å; V209-M212 HydrophobicContact CB-CE 3.86Å; V209-M212 HydrophobicContact CB-CG 4.46Å; V209-M212 HydrophobicContact CB-SD 4.26Å; V209-M212 HydrophobicContact CG2-CE 3.85Å; V209-M212 PolarHBondContact N-SD 3.19Å; V209-M212 VanDerWaalsContact N-SD 3.37Å; V209-M212 VanDerWaalsContact O-CB 3.24Å; V209-M212 WeakPolarHBondContact O-CB 3.38Å; V209-M212 WeakPolarHBondContact O-CG 3.4Å; V209-M212 PolarHBondContact O-N 2.76Å; V209-M212 VanDerWaalsContact O-N 3.13Å; M212-F214 VanDerWaalsContact C-N 3.27Å; M212-F214 PolarHBondContact O-N 3.37Å; M212-V215 PolarHBondContact O-N 2.95Å; M212-A216 PolarHBondContact O-N 3.21Å; M212-F232 HydrophobicContact CB-CZ 4.01Å; M212-F232 HydrophobicContact CG-CZ 4.25Å; M212-F232 HydrophobicContact SD-CZ 4.41Å; M212-L236 HydrophobicContact CE-CD1 3.87Å; M212-L236 HydrophobicContact CG-CD1 4.22Å; M212-L236 HydrophobicContact SD-CD1 4.08Å; M212-F245 HydrophobicContact CE-CB 4.13Å; M212-F245 HydrophobicContact CE-CD1 3.57Å; M212-F245 HydrophobicContact CE-CD2 4.46Å; M212-F245 HydrophobicContact CE-CE1 4Å; M212-F245 HydrophobicContact CE-CG 3.81Å; M212-F245 HydrophobicContact CG-CD1 4.02Å; M212-F245 HydrophobicContact CG-CE1 3.45Å; M212-F245 VanDerWaalsContact CG-CE1 3.45Å; M212-F245 HydrophobicContact CG-CZ 3.91Å |
| 213 | S | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.1 | -38.6 | 177.4 | 57.3 | 0 | 0 | 0 | 0 | 113.3 | D171 T175 G211 A217 | D171-S213 WeakPolarHBondContact CB-OG 3.43Å; D171-S213 PolarHBondContact OD2-OG 2.82Å; D171-S213 VanDerWaalsContact OD2-OG 3.11Å; T175-S213 VanDerWaalsContact OG1-CB 3.24Å; T175-S213 WeakPolarHBondContact OG1-CB 3.5Å; T175-S213 PolarHBondContact OG1-OG 2.92Å; G211-S213 PolarHBondContact O-N 3.2Å; S213-A217 WeakPolarHBondContact O-CB 3.34Å; S213-A217 PolarHBondContact O-N 3.33Å |
| 214 | F | 98.1 | Very high | 95.7 | Very high | 13 Ų | 13 | 29 Ų | 29 | 6% | 0.057 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.5 | -41.7 | 179 | -67.9 | -89.9 | 0 | 0 | 0 | 111.6 | R174 T175 F176 G211 M212 A217 V218 A294 R295 | R174-F214 HydrophobicContact CG-CZ 4.47Å; T175-F214 HydrophobicContact CG2-CD1 4.08Å; T175-F214 HydrophobicContact CG2-CE1 4.44Å; T175-F214 HydrophobicContact CG2-CG 4.38Å; F176-F214 HydrophobicContact CE2-CD1 4.47Å; F176-F214 HydrophobicContact CZ-CD1 4.4Å; G211-F214 PolarHBondContact O-N 2.91Å; M212-F214 VanDerWaalsContact C-N 3.27Å; M212-F214 PolarHBondContact O-N 3.37Å; F214-A217 PolarHBondContact O-N 3.49Å; F214-V218 WeakPolarHBondContact O-CG2 3.35Å; F214-V218 PolarHBondContact O-N 3.38Å; F214-V218 VanDerWaalsContact O-N 3.09Å; F214-A294 HydrophobicContact CB-CB 3.77Å; F214-R295 HydrophobicContact CD1-CB 4.12Å; F214-R295 HydrophobicContact CD2-CB 4.16Å; F214-R295 HydrophobicContact CD2-CG 4.47Å; F214-R295 HydrophobicContact CE1-CB 4.18Å; F214-R295 HydrophobicContact CE1-CG 4.23Å; F214-R295 HydrophobicContact CE2-CB 4.24Å; F214-R295 HydrophobicContact CE2-CG 4.06Å; F214-R295 HydrophobicContact CG-CB 4.11Å; F214-R295 HydrophobicContact CZ-CB 4.25Å; F214-R295 HydrophobicContact CZ-CG 3.93Å |
| 215 | V | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.4 | -48.2 | 177.8 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | M212 A217 V218 L219 F232 L235 L236 L292 W306 | M212-V215 PolarHBondContact O-N 2.95Å; V215-A217 VanDerWaalsContact C-N 3.34Å; V215-A217 PolarHBondContact O-N 3.36Å; V215-V218 PolarHBondContact O-N 3.45Å; V215-L219 PolarHBondContact O-N 3.49Å; V215-F232 HydrophobicContact CB-CE2 4.06Å; V215-F232 HydrophobicContact CG1-CD2 3.98Å; V215-F232 HydrophobicContact CG1-CE2 3.97Å; V215-L235 HydrophobicContact CG1-CD2 3.97Å; V215-L236 HydrophobicContact CG1-CD2 4.42Å; V215-L292 HydrophobicContact CG1-CD1 4.22Å; V215-L292 HydrophobicContact CG2-CD1 4.43Å; V215-W306 HydrophobicContact CB-CH2 4.44Å; V215-W306 HydrophobicContact CG1-CH2 3.81Å; V215-W306 HydrophobicContact CG1-CZ2 4.26Å |
| 216 | A | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L192 I195 L196 M212 L219 L220 F232 | L192-A216 HydrophobicContact CD1-CB 3.56Å; I195-A216 HydrophobicContact CG2-CB 3.89Å; L196-A216 HydrophobicContact CD2-CB 3.74Å; L196-A216 HydrophobicContact CG-CB 4.41Å; M212-A216 PolarHBondContact O-N 3.21Å; A216-L219 PolarHBondContact O-N 3.38Å; A216-L220 VanDerWaalsContact O-CB 3.31Å; A216-L220 WeakPolarHBondContact O-CB 3.23Å; A216-L220 PolarHBondContact O-N 2.87Å; A216-F232 HydrophobicContact CB-CD2 4.01Å; A216-F232 HydrophobicContact CB-CE2 3.79Å; A216-F232 HydrophobicContact CB-CZ 4.16Å |
| 217 | A | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63 | -42.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T175 F176 F182 L192 S213 F214 V215 L219 L220 L221 | T175-A217 HydrophobicContact CG2-CB 3.47Å; T175-A217 VanDerWaalsContact CG2-CB 3.47Å; F176-A217 HydrophobicContact CD2-CB 4.07Å; F176-A217 HydrophobicContact CE2-CB 4.05Å; F182-A217 HydrophobicContact CD1-CB 4.48Å; F182-A217 HydrophobicContact CD2-CB 4.31Å; F182-A217 HydrophobicContact CE1-CB 3.95Å; F182-A217 HydrophobicContact CE2-CB 3.77Å; F182-A217 HydrophobicContact CZ-CB 3.56Å; L192-A217 HydrophobicContact CD1-CB 4.3Å; L192-A217 HydrophobicContact CD2-CB 4.2Å; S213-A217 WeakPolarHBondContact O-CB 3.34Å; S213-A217 PolarHBondContact O-N 3.33Å; F214-A217 PolarHBondContact O-N 3.49Å; V215-A217 VanDerWaalsContact C-N 3.34Å; V215-A217 PolarHBondContact O-N 3.36Å; A217-L219 VanDerWaalsContact C-N 3.32Å; A217-L219 PolarHBondContact O-N 2.96Å; A217-L220 PolarHBondContact O-N 3.29Å; A217-L221 VanDerWaalsContact O-CG 3.3Å; A217-L221 WeakPolarHBondContact O-CG 3.19Å; A217-L221 PolarHBondContact O-N 2.92Å |
| 218 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.4 | -40 | 177 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | W127 F176 F214 V215 N222 A294 L299 T302 W306 | W127-V218 HydrophobicContact CH2-CG1 3.83Å; W127-V218 HydrophobicContact CZ3-CG1 3.89Å; F176-V218 HydrophobicContact CE2-CG2 3.82Å; F176-V218 HydrophobicContact CZ-CG2 3.79Å; F214-V218 WeakPolarHBondContact O-CG2 3.35Å; F214-V218 PolarHBondContact O-N 3.38Å; F214-V218 VanDerWaalsContact O-N 3.09Å; V215-V218 PolarHBondContact O-N 3.45Å; V218-N222 PolarHBondContact O-ND2 3.42Å; V218-A294 HydrophobicContact CG2-CB 3.75Å; V218-L299 HydrophobicContact CG2-CD1 4.19Å; V218-T302 HydrophobicContact CG2-CG2 4.05Å; V218-W306 HydrophobicContact CB-CE3 4.38Å; V218-W306 HydrophobicContact CB-CH2 3.67Å; V218-W306 HydrophobicContact CB-CZ2 3.85Å; V218-W306 HydrophobicContact CB-CZ3 3.96Å; V218-W306 HydrophobicContact CG1-CD2 3.63Å; V218-W306 HydrophobicContact CG1-CE3 3.5Å; V218-W306 VanDerWaalsContact CG1-CE3 3.5Å; V218-W306 HydrophobicContact CG1-CG 4.38Å; V218-W306 HydrophobicContact CG1-CH2 3.72Å; V218-W306 HydrophobicContact CG1-CZ2 3.86Å; V218-W306 HydrophobicContact CG1-CZ3 3.55Å; V218-W306 HydrophobicContact CG2-CZ2 4.26Å |
| 219 | L | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63 | -51.3 | 174.8 | -71.1 | 170.2 | 0 | 0 | 0 | 111.1 | I131 V215 A216 A217 L221 N222 L223 A228 A231 F232 W306 | I131-L219 HydrophobicContact CD1-CD2 4.04Å; V215-L219 PolarHBondContact O-N 3.49Å; A216-L219 PolarHBondContact O-N 3.38Å; A217-L219 VanDerWaalsContact C-N 3.32Å; A217-L219 PolarHBondContact O-N 2.96Å; L219-L221 PolarHBondContact O-N 3.48Å; L219-N222 CarbonylContact O-C 3.59Å; L219-N222 PolarHBondContact O-N 3.37Å; L219-L223 HydrophobicContact CB-CD1 4.11Å; L219-L223 HydrophobicContact CD2-CD1 3.71Å; L219-L223 VanDerWaalsContact O-CB 3.28Å; L219-L223 WeakPolarHBondContact O-CB 3.49Å; L219-L223 PolarHBondContact O-N 3.26Å; L219-A228 HydrophobicContact CB-CB 4.25Å; L219-A231 HydrophobicContact CD1-CB 4.25Å; L219-A231 HydrophobicContact CD2-CB 3.88Å; L219-F232 VanDerWaalsContact CD1-CA 3.48Å; L219-F232 HydrophobicContact CD1-CB 3.63Å; L219-F232 HydrophobicContact CD1-CD2 3.95Å; L219-F232 HydrophobicContact CD1-CG 4.3Å; L219-W306 HydrophobicContact CD2-CH2 4.5Å; L219-W306 HydrophobicContact CD2-CZ3 3.7Å; L219-W306 HydrophobicContact CG-CH2 4.16Å; L219-W306 HydrophobicContact CG-CZ3 3.8Å |
| 220 | L | 98.2 | Very high | 97.4 | Very high | 6 Ų | 6 | 26 Ų | 26 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.2 | -22.5 | -177 | -173.9 | 61.8 | 0 | 0 | 0 | 113.7 | F182 F188 L191 L192 I195 A216 A217 N222 L225 A228 | F182-L220 HydrophobicContact CE1-CD2 4.17Å; F188-L220 HydrophobicContact CD1-CD2 3.93Å; F188-L220 HydrophobicContact CD1-CG 3.8Å; F188-L220 HydrophobicContact CE1-CG 4.22Å; L191-L220 HydrophobicContact CB-CD1 4.31Å; L191-L220 HydrophobicContact CB-CD2 3.61Å; L192-L220 HydrophobicContact CB-CD2 4.19Å; I195-L220 HydrophobicContact CD1-CB 4.18Å; I195-L220 HydrophobicContact CD1-CD1 4Å; I195-L220 HydrophobicContact CD1-CD2 4.25Å; I195-L220 HydrophobicContact CD1-CG 4.36Å; A216-L220 VanDerWaalsContact O-CB 3.31Å; A216-L220 WeakPolarHBondContact O-CB 3.23Å; A216-L220 PolarHBondContact O-N 2.87Å; A217-L220 PolarHBondContact O-N 3.29Å; L220-N222 VanDerWaalsContact C-N 3.26Å; L220-N222 PolarHBondContact O-N 3.17Å; L220-L225 HydrophobicContact CD1-CD1 4.35Å; L220-A228 HydrophobicContact CB-CB 4.42Å; L220-A228 HydrophobicContact CD1-CB 4.27Å |
| 221 | L | 97.9 | Very high | 97.7 | Very high | 53 Ų | 53 | 22.1 Ų | 22.1 | 28% | 0.277 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -20.8 | 170.5 | -79.1 | 170 | 0 | 0 | 0 | 114 | I181 F182 A217 L219 L299 | I181-L221 HydrophobicContact CD1-CD2 3.67Å; F182-L221 HydrophobicContact CE2-CD1 4.11Å; F182-L221 HydrophobicContact CE2-CD2 4.25Å; F182-L221 HydrophobicContact CE2-CG 4.11Å; F182-L221 HydrophobicContact CZ-CD1 4.28Å; F182-L221 HydrophobicContact CZ-CD2 4.11Å; F182-L221 HydrophobicContact CZ-CG 3.84Å; A217-L221 VanDerWaalsContact O-CG 3.3Å; A217-L221 WeakPolarHBondContact O-CG 3.19Å; A217-L221 PolarHBondContact O-N 2.92Å; L219-L221 PolarHBondContact O-N 3.48Å; L221-L299 HydrophobicContact CD1-CD1 3.75Å; L221-L299 HydrophobicContact CD1-CD2 3.59Å; L221-L299 HydrophobicContact CD1-CG 4.32Å |
| 222 | N | 98 | Very high | 98 | Very high | 32 Ų | 32 | 22 Ų | 22 | 17% | 0.171 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121 | -7.2 | -172.1 | -65.5 | -89.1 | 0 | 0 | 0 | 112.6 | R123 G124 W127 V218 L219 L220 | R123-N222 HydrophobicContact CB-CB 4.34Å; R123-N222 WeakPolarHBondContact CD-OD1 3.32Å; G124-N222 WeakPolarHBondContact CA-O 3.41Å; W127-N222 HydrophobicContact CE3-CB 3.97Å; W127-N222 HydrophobicContact CH2-CB 4.35Å; W127-N222 WeakPolarHBondContact CH2-ND2 3.01Å; W127-N222 HydrophobicContact CZ3-CB 3.67Å; W127-N222 VanDerWaalsContact CZ3-ND2 3.33Å; W127-N222 WeakPolarHBondContact CZ3-ND2 2.97Å; V218-N222 PolarHBondContact O-ND2 3.42Å; L219-N222 CarbonylContact O-C 3.59Å; L219-N222 PolarHBondContact O-N 3.37Å; L220-N222 VanDerWaalsContact C-N 3.26Å; L220-N222 PolarHBondContact O-N 3.17Å |
| 223 | L | 97.9 | Very high | 98.1 | Very high | 13 Ų | 13 | 22.1 Ų | 22.1 | 7% | 0.068 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -138.6 | 149.2 | -171.8 | -63.5 | 166.3 | 0 | 0 | 0 | 109.9 | G124 Q128 L219 E227 A228 A231 | G124-L223 VanDerWaalsContact O-CD2 3.31Å; G124-L223 WeakPolarHBondContact O-CD2 3.39Å; Q128-L223 HydrophobicContact CG-CD2 3.52Å; L219-L223 HydrophobicContact CB-CD1 4.11Å; L219-L223 HydrophobicContact CD2-CD1 3.71Å; L219-L223 VanDerWaalsContact O-CB 3.28Å; L219-L223 WeakPolarHBondContact O-CB 3.49Å; L219-L223 PolarHBondContact O-N 3.26Å; L223-E227 HydrophobicContact CB-CB 4.48Å; L223-E227 HydrophobicContact CD2-CB 4.37Å; L223-A228 HydrophobicContact CB-CB 3.87Å; L223-A228 HydrophobicContact CD1-CB 4.49Å; L223-A231 HydrophobicContact CD1-CB 3.88Å |
| 224 | D | 97 | Very high | 98 | Very high | 121 Ų | 121 | 22.5 Ų | 22.5 | 65% | 0.647 | 11% | 0.114 | S | C | * | . | trans | -66.4 | 160.5 | 167.2 | -66 | -45.3 | 0 | 0 | 0 | 110.7 | Y226 E227 A228 | D224-Y226 VanDerWaalsContact C-N 3.33Å; D224-Y226 PolarHBondContact O-N 2.98Å; D224-E227 WeakPolarHBondContact CB-OE2 3.39Å; D224-E227 PolarHBondContact O-N 3.33Å; D224-A228 VanDerWaalsContact O-CB 3.23Å; D224-A228 WeakPolarHBondContact O-CB 3.38Å; D224-A228 PolarHBondContact O-N 2.91Å | ||
| 225 | L | 97.5 | Very high | 98 | Very high | 70 Ų | 70 | 22 Ų | 22 | 37% | 0.366 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -52.2 | -48.1 | -168.4 | 177.1 | 64.3 | 0 | 0 | 0 | 113.3 | L191 I195 L220 F229 | L191-L225 HydrophobicContact CB-CD1 4.26Å; L191-L225 HydrophobicContact CD2-CD1 4.29Å; L191-L225 HydrophobicContact CD2-CD2 4.03Å; I195-L225 HydrophobicContact CD1-CD1 3.98Å; I195-L225 HydrophobicContact CG1-CD1 3.63Å; L220-L225 HydrophobicContact CD1-CD1 4.35Å; L225-F229 PolarHBondContact O-N 2.71Å |
| 226 | Y | 96.8 | Very high | 97.8 | Very high | 60 Ų | 60 | 22 Ų | 22 | 24% | 0.235 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68 | -48.4 | -176.7 | 172.1 | -116.8 | 0 | 0 | 0 | 111.4 | V137 T138 E139 N142 D224 A228 F229 V230 | V137-Y226 PolarHBondContact O-OH 3.09Å; T138-Y226 VanDerWaalsContact C-OH 3.25Å; T138-Y226 VanDerWaalsContact CA-OH 3.28Å; T138-Y226 WeakPolarHBondContact CA-OH 3.23Å; E139-Y226 HydrophobicContact CB-CE2 4.25Å; E139-Y226 HydrophobicContact CG-CD1 4.29Å; E139-Y226 HydrophobicContact CG-CD2 4.12Å; E139-Y226 HydrophobicContact CG-CE1 3.86Å; E139-Y226 HydrophobicContact CG-CE2 3.66Å; E139-Y226 HydrophobicContact CG-CG 4.39Å; E139-Y226 PolarHBondContact N-OH 3.37Å; E139-Y226 VanDerWaalsContact N-OH 3.14Å; N142-Y226 WeakPolarHBondContact ND2-CD2 3.31Å; D224-Y226 VanDerWaalsContact C-N 3.33Å; D224-Y226 PolarHBondContact O-N 2.98Å; Y226-A228 VanDerWaalsContact C-N 3.28Å; Y226-A228 PolarHBondContact O-N 3.47Å; Y226-F229 WeakPolarHBondContact O-CB 3.45Å; Y226-F229 PolarHBondContact O-N 3.5Å; Y226-F229 VanDerWaalsContact O-N 3.11Å; Y226-V230 HydrophobicContact CD2-CG2 4.14Å; Y226-V230 HydrophobicContact CE1-CG2 4.08Å; Y226-V230 HydrophobicContact CE2-CG2 3.66Å; Y226-V230 WeakPolarHBondContact O-CG2 3.17Å; Y226-V230 PolarHBondContact O-N 3.05Å |
| 227 | E | 97.8 | Very high | 97.6 | Very high | 68 Ų | 68 | 24.4 Ų | 24.4 | 32% | 0.318 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -66.7 | -33 | 179.4 | -66.4 | 89 | 159.9 | 0 | 0 | 112 | Q128 L223 D224 A231 | Q128-E227 HydrophobicContact CG-CB 4.49Å; Q128-E227 VanDerWaalsContact NE2-CB 3.31Å; L223-E227 HydrophobicContact CB-CB 4.48Å; L223-E227 HydrophobicContact CD2-CB 4.37Å; D224-E227 WeakPolarHBondContact CB-OE2 3.39Å; D224-E227 PolarHBondContact O-N 3.33Å; E227-A231 WeakPolarHBondContact O-CB 3.36Å; E227-A231 PolarHBondContact O-N 3.39Å |
| 228 | A | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.8 | -45 | 171 | 0 | 0 | 0 | 0 | 0 | 110.9 | I195 L219 L220 L223 D224 Y226 A231 F232 | I195-A228 HydrophobicContact CD1-CB 3.63Å; L219-A228 HydrophobicContact CB-CB 4.25Å; L220-A228 HydrophobicContact CB-CB 4.42Å; L220-A228 HydrophobicContact CD1-CB 4.27Å; L223-A228 HydrophobicContact CB-CB 3.87Å; L223-A228 HydrophobicContact CD1-CB 4.49Å; D224-A228 VanDerWaalsContact O-CB 3.23Å; D224-A228 WeakPolarHBondContact O-CB 3.38Å; D224-A228 PolarHBondContact O-N 2.91Å; Y226-A228 VanDerWaalsContact C-N 3.28Å; Y226-A228 PolarHBondContact O-N 3.47Å; A228-A231 PolarHBondContact O-N 3Å; A228-F232 WeakPolarHBondContact O-CB 3.47Å; A228-F232 PolarHBondContact O-N 3.44Å |
| 229 | F | 98.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 30.2 Ų | 30.2 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.2 | -47.9 | 175.9 | 177.8 | -106.3 | 0 | 0 | 0 | 112.4 | V137 N142 I195 A198 Y202 L225 Y226 A231 F232 C233 | V137-F229 HydrophobicContact CG1-CD1 4.12Å; V137-F229 HydrophobicContact CG1-CE1 3.86Å; N142-F229 WeakPolarHBondContact OD1-CD1 3.49Å; N142-F229 WeakPolarHBondContact OD1-CE1 3.31Å; I195-F229 HydrophobicContact CG1-CB 4.45Å; I195-F229 HydrophobicContact CG2-CD2 4.35Å; A198-F229 HydrophobicContact CB-CD2 4.09Å; A198-F229 HydrophobicContact CB-CE2 3.61Å; A198-F229 HydrophobicContact CB-CZ 4.09Å; Y202-F229 HydrophobicContact CD1-CZ 4.46Å; Y202-F229 HydrophobicContact CG-CZ 4.19Å; L225-F229 PolarHBondContact O-N 2.71Å; Y226-F229 WeakPolarHBondContact O-CB 3.45Å; Y226-F229 PolarHBondContact O-N 3.5Å; Y226-F229 VanDerWaalsContact O-N 3.11Å; F229-A231 VanDerWaalsContact C-N 3.33Å; F229-A231 PolarHBondContact O-N 2.98Å; F229-F232 WeakPolarHBondContact O-CB 3.25Å; F229-F232 PolarHBondContact O-N 2.92Å; F229-F232 VanDerWaalsContact O-N 3.15Å; F229-C233 VanDerWaalsContact CE2-SG 3.58Å; F229-C233 WeakPolarHBondContact CZ-SG 3.25Å; F229-C233 PolarHBondContact O-N 3.11Å; F229-C233 PolarHBondContact O-SG 3.22Å; F229-C233 VanDerWaalsContact O-SG 3.35Å |
| 230 | V | 98.3 | Very high | 96.1 | Very high | 17 Ų | 17 | 30.5 Ų | 30.5 | 10% | 0.103 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.3 | -48.1 | 176.3 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | N133 V137 Y226 F232 C233 N234 | N133-V230 HydrophobicContact CB-CG1 4.04Å; V137-V230 HydrophobicContact CB-CG1 4.31Å; V137-V230 HydrophobicContact CB-CG2 4.08Å; V137-V230 HydrophobicContact CG1-CG2 3.92Å; Y226-V230 HydrophobicContact CD2-CG2 4.14Å; Y226-V230 HydrophobicContact CE1-CG2 4.08Å; Y226-V230 HydrophobicContact CE2-CG2 3.66Å; Y226-V230 WeakPolarHBondContact O-CG2 3.17Å; Y226-V230 PolarHBondContact O-N 3.05Å; V230-F232 VanDerWaalsContact C-N 3.32Å; V230-F232 PolarHBondContact O-N 3.34Å; V230-C233 PolarHBondContact O-N 3.35Å; V230-N234 PolarHBondContact O-N 3Å; V230-N234 VanDerWaalsContact O-N 3.12Å; V230-N234 PolarHBondContact O-ND2 2.96Å |
| 231 | A | 98.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.6 | -40.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I131 L219 L223 E227 A228 F229 N234 L235 | I131-A231 HydrophobicContact CD1-CB 3.86Å; I131-A231 HydrophobicContact CG2-CB 4.49Å; L219-A231 HydrophobicContact CD1-CB 4.25Å; L219-A231 HydrophobicContact CD2-CB 3.88Å; L223-A231 HydrophobicContact CD1-CB 3.88Å; E227-A231 WeakPolarHBondContact O-CB 3.36Å; E227-A231 PolarHBondContact O-N 3.39Å; A228-A231 PolarHBondContact O-N 3Å; F229-A231 VanDerWaalsContact C-N 3.33Å; F229-A231 PolarHBondContact O-N 2.98Å; A231-N234 PolarHBondContact O-N 2.96Å; A231-L235 WeakPolarHBondContact O-CB 2.82Å; A231-L235 PolarHBondContact O-N 3.07Å |
| 232 | F | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.6 | -50.2 | 178.2 | -175.2 | -115.2 | 0 | 0 | 0 | 111.4 | I195 L196 Y199 M212 V215 A216 L219 A228 F229 V230 N234 L235 L236 | I195-F232 HydrophobicContact CG2-CB 4.37Å; I195-F232 HydrophobicContact CG2-CD1 3.82Å; I195-F232 HydrophobicContact CG2-CE1 4.26Å; I195-F232 HydrophobicContact CG2-CG 4.12Å; L196-F232 HydrophobicContact CD2-CE1 4.31Å; L196-F232 HydrophobicContact CD2-CZ 3.95Å; Y199-F232 AromaticContact CD1-CE1 3.99Å; Y199-F232 HydrophobicContact CD1-CE1 3.99Å; Y199-F232 AromaticContact CD2-CD1 3.71Å; Y199-F232 HydrophobicContact CD2-CD1 3.71Å; Y199-F232 AromaticContact CD2-CE1 3.68Å; Y199-F232 HydrophobicContact CD2-CE1 3.68Å; Y199-F232 HydrophobicContact CE2-CD1 4.47Å; Y199-F232 HydrophobicContact CE2-CE1 4.38Å; Y199-F232 AromaticContact CG-CD1 3.9Å; Y199-F232 HydrophobicContact CG-CD1 3.9Å; Y199-F232 AromaticContact CG-CE1 3.45Å; Y199-F232 HydrophobicContact CG-CE1 3.45Å; Y199-F232 VanDerWaalsContact CG-CE1 3.45Å; M212-F232 HydrophobicContact CB-CZ 4.01Å; M212-F232 HydrophobicContact CG-CZ 4.25Å; M212-F232 HydrophobicContact SD-CZ 4.41Å; V215-F232 HydrophobicContact CB-CE2 4.06Å; V215-F232 HydrophobicContact CG1-CD2 3.98Å; V215-F232 HydrophobicContact CG1-CE2 3.97Å; A216-F232 HydrophobicContact CB-CD2 4.01Å; A216-F232 HydrophobicContact CB-CE2 3.79Å; A216-F232 HydrophobicContact CB-CZ 4.16Å; L219-F232 VanDerWaalsContact CD1-CA 3.48Å; L219-F232 HydrophobicContact CD1-CB 3.63Å; L219-F232 HydrophobicContact CD1-CD2 3.95Å; L219-F232 HydrophobicContact CD1-CG 4.3Å; A228-F232 WeakPolarHBondContact O-CB 3.47Å; A228-F232 PolarHBondContact O-N 3.44Å; F229-F232 WeakPolarHBondContact O-CB 3.25Å; F229-F232 PolarHBondContact O-N 2.92Å; F229-F232 VanDerWaalsContact O-N 3.15Å; V230-F232 VanDerWaalsContact C-N 3.32Å; V230-F232 PolarHBondContact O-N 3.34Å; F232-N234 PolarHBondContact O-N 2.84Å; F232-L235 PolarHBondContact O-N 2.88Å; F232-L236 HydrophobicContact CD1-CD1 4.11Å; F232-L236 HydrophobicContact CD2-CD1 4.11Å; F232-L236 HydrophobicContact CD2-CG 4.12Å; F232-L236 HydrophobicContact CE1-CD1 3.56Å; F232-L236 HydrophobicContact CE1-CG 4.5Å; F232-L236 HydrophobicContact CE2-CD1 3.56Å; F232-L236 HydrophobicContact CE2-CD2 4.27Å; F232-L236 HydrophobicContact CE2-CG 3.93Å; F232-L236 HydrophobicContact CG-CD1 4.37Å; F232-L236 HydrophobicContact CG-CG 4.5Å; F232-L236 HydrophobicContact CZ-CD1 3.26Å; F232-L236 HydrophobicContact CZ-CG 4.14Å; F232-L236 WeakPolarHBondContact O-CB 3.29Å; F232-L236 VanDerWaalsContact O-CG 3.31Å; F232-L236 WeakPolarHBondContact O-CG 3.48Å; F232-L236 PolarHBondContact O-N 3.33Å |
| 233 | C | 97.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.3 | -48.8 | 177 | -70.3 | 0 | 0 | 0 | 0 | 112.3 | L135 V137 Y202 F229 V230 N237 | L135-C233 HydrophobicContact CD1-CB 4.04Å; L135-C233 WeakPolarHBondContact CD1-O 3.42Å; V137-C233 HydrophobicContact CG2-CB 3.95Å; Y202-C233 HydrophobicContact CD1-CB 4.34Å; Y202-C233 VanDerWaalsContact CD1-SG 3.56Å; Y202-C233 HydrophobicContact CE1-CB 4.01Å; F229-C233 VanDerWaalsContact CE2-SG 3.58Å; F229-C233 WeakPolarHBondContact CZ-SG 3.25Å; F229-C233 PolarHBondContact O-N 3.11Å; F229-C233 PolarHBondContact O-SG 3.22Å; F229-C233 VanDerWaalsContact O-SG 3.35Å; V230-C233 PolarHBondContact O-N 3.35Å; C233-N237 VanDerWaalsContact O-CB 3.26Å; C233-N237 WeakPolarHBondContact O-CB 3.3Å; C233-N237 PolarHBondContact O-N 3.06Å; C233-N237 VanDerWaalsContact O-N 3.08Å |
| 234 | N | 97.6 | Very high | 94.2 | Very high | 9 Ų | 9 | 27.4 Ų | 27.4 | 5% | 0.048 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.3 | -39.5 | -178.1 | -77.7 | -83.3 | 0 | 0 | 0 | 112.5 | I131 N133 D134 L135 V230 A231 F232 N237 R238 | I131-N234 HydrophobicContact CG2-CB 3.79Å; N133-N234 VanDerWaalsContact C-OD1 3.31Å; N133-N234 WeakPolarHBondContact CA-OD1 3.34Å; N133-N234 PolarHBondContact OD1-ND2 3.26Å; D134-N234 PolarHBondContact N-OD1 3.36Å; L135-N234 WeakPolarHBondContact CB-OD1 3.47Å; L135-N234 PolarHBondContact N-OD1 2.81Å; V230-N234 PolarHBondContact O-N 3Å; V230-N234 VanDerWaalsContact O-N 3.12Å; V230-N234 PolarHBondContact O-ND2 2.96Å; A231-N234 PolarHBondContact O-N 2.96Å; F232-N234 PolarHBondContact O-N 2.84Å; N234-N237 PolarHBondContact O-N 3.34Å; N234-R238 PolarHBondContact O-N 3.4Å |
| 235 | L | 96.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.2 | -50.5 | 178 | -173.1 | 62.1 | 0 | 0 | 0 | 110.5 | I131 V215 A231 F232 N237 R238 L241 L292 W306 F309 L310 | I131-L235 HydrophobicContact CG2-CB 4.44Å; V215-L235 HydrophobicContact CG1-CD2 3.97Å; A231-L235 WeakPolarHBondContact O-CB 2.82Å; A231-L235 PolarHBondContact O-N 3.07Å; F232-L235 PolarHBondContact O-N 2.88Å; L235-N237 PolarHBondContact O-N 2.83Å; L235-R238 VanDerWaalsContact O-CB 3.27Å; L235-R238 WeakPolarHBondContact O-CB 3.39Å; L235-R238 WeakPolarHBondContact O-CG 3.23Å; L235-R238 PolarHBondContact O-N 3.05Å; L235-L241 HydrophobicContact CD1-CD1 4.36Å; L235-L241 HydrophobicContact CG-CD1 3.89Å; L235-L241 WeakPolarHBondContact O-CD1 3.5Å; L235-L292 HydrophobicContact CD1-CD1 4.45Å; L235-L292 HydrophobicContact CD2-CD1 3.63Å; L235-L292 HydrophobicContact CG-CD1 4.19Å; L235-W306 HydrophobicContact CD2-CH2 4.17Å; L235-W306 HydrophobicContact CD2-CZ3 4.24Å; L235-F309 HydrophobicContact CD1-CE2 3.94Å; L235-F309 HydrophobicContact CD1-CZ 4.04Å; L235-L310 HydrophobicContact CD1-CD2 4.43Å |
| 236 | L | 95.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.6 | -25.4 | 178.1 | -68.4 | -164.9 | 0 | 0 | 0 | 113.3 | Y199 M212 V215 F232 R238 L241 L242 F245 | Y199-L236 HydrophobicContact CD1-CD1 4.35Å; Y199-L236 HydrophobicContact CD2-CD1 4.23Å; Y199-L236 HydrophobicContact CE1-CD1 3.83Å; Y199-L236 HydrophobicContact CE2-CB 4.12Å; Y199-L236 HydrophobicContact CE2-CD1 3.68Å; Y199-L236 HydrophobicContact CE2-CG 4.44Å; Y199-L236 VanDerWaalsContact CZ-CD1 3.45Å; M212-L236 HydrophobicContact CE-CD1 3.87Å; M212-L236 HydrophobicContact CG-CD1 4.22Å; M212-L236 HydrophobicContact SD-CD1 4.08Å; V215-L236 HydrophobicContact CG1-CD2 4.42Å; F232-L236 HydrophobicContact CD1-CD1 4.11Å; F232-L236 HydrophobicContact CD2-CD1 4.11Å; F232-L236 HydrophobicContact CD2-CG 4.12Å; F232-L236 HydrophobicContact CE1-CD1 3.56Å; F232-L236 HydrophobicContact CE1-CG 4.5Å; F232-L236 HydrophobicContact CE2-CD1 3.56Å; F232-L236 HydrophobicContact CE2-CD2 4.27Å; F232-L236 HydrophobicContact CE2-CG 3.93Å; F232-L236 HydrophobicContact CG-CD1 4.37Å; F232-L236 HydrophobicContact CG-CG 4.5Å; F232-L236 HydrophobicContact CZ-CD1 3.26Å; F232-L236 HydrophobicContact CZ-CG 4.14Å; F232-L236 WeakPolarHBondContact O-CB 3.29Å; F232-L236 VanDerWaalsContact O-CG 3.31Å; F232-L236 WeakPolarHBondContact O-CG 3.48Å; F232-L236 PolarHBondContact O-N 3.33Å; L236-R238 VanDerWaalsContact C-N 3.25Å; L236-R238 PolarHBondContact O-N 3.06Å; L236-L241 HydrophobicContact CD2-CD1 4.09Å; L236-L242 VanDerWaalsContact O-CD2 3.27Å; L236-L242 WeakPolarHBondContact O-CD2 3.27Å; L236-L242 VanDerWaalsContact O-CG 3.22Å; L236-L242 WeakPolarHBondContact O-CG 3.4Å; L236-F245 HydrophobicContact CD2-CD2 3.83Å; L236-F245 HydrophobicContact CD2-CE2 3.27Å; L236-F245 HydrophobicContact CD2-CZ 3.86Å |
| 237 | N | 94 | Very high | 92.2 | Very high | 50 Ų | 50 | 25.6 Ų | 25.6 | 27% | 0.267 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -5 | 175 | -165.4 | 72 | 0 | 0 | 0 | 113.7 | L135 R203 C233 N234 L235 L242 | L135-N237 HydrophobicContact CD1-CB 3.79Å; L135-N237 HydrophobicContact CD2-CB 4.39Å; L135-N237 HydrophobicContact CG-CB 4.26Å; R203-N237 PolarHBondContact NH1-OD1 3.39Å; C233-N237 VanDerWaalsContact O-CB 3.26Å; C233-N237 WeakPolarHBondContact O-CB 3.3Å; C233-N237 PolarHBondContact O-N 3.06Å; C233-N237 VanDerWaalsContact O-N 3.08Å; N234-N237 PolarHBondContact O-N 3.34Å; L235-N237 PolarHBondContact O-N 2.83Å; N237-L242 VanDerWaalsContact O-CD1 3.23Å; N237-L242 WeakPolarHBondContact O-CD1 3.5Å |
| 238 | R | 92 | Very high | 91.4 | Very high | 50 Ų | 50 | 25.8 Ų | 25.8 | 19% | 0.189 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -63.4 | 142.4 | 174.2 | -70.5 | -170.6 | 174.2 | -171.4 | -2.4 | 110.6 | A130 N234 L235 L236 T240 L241 L242 D314 | A130-R238 PolarHBondContact O-NH2 2.77Å; A130-R238 VanDerWaalsContact O-NH2 3.14Å; N234-R238 PolarHBondContact O-N 3.4Å; L235-R238 VanDerWaalsContact O-CB 3.27Å; L235-R238 WeakPolarHBondContact O-CB 3.39Å; L235-R238 WeakPolarHBondContact O-CG 3.23Å; L235-R238 PolarHBondContact O-N 3.05Å; L236-R238 VanDerWaalsContact C-N 3.25Å; L236-R238 PolarHBondContact O-N 3.06Å; R238-T240 PolarHBondContact O-N 3.19Å; R238-T240 VanDerWaalsContact O-N 3.09Å; R238-L241 PolarHBondContact O-N 3.45Å; R238-L241 VanDerWaalsContact O-N 3.09Å; R238-L242 PolarHBondContact O-N 3.42Å; R238-D314 IonicContact NH1-OD1 2.78Å |
| 239 | P | 87.2 | Confident | 90.7 | Very high | 72 Ų | 72 | 31 Ų | 31 | 47% | 0.468 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -54.5 | -36.8 | -173.7 | -25.9 | 32.9 | 0 | 0 | 0 | 114.2 | A243 R382 | P239-A243 PolarHBondContact O-N 2.61Å; P239-R382 PolarHBondContact O-NH1 3.11Å |
| 240 | T | 85.9 | Confident | 90.2 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.043 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.7 | -53 | 177.7 | -52.1 | 0 | 0 | 0 | 0 | 111.4 | R238 A243 F244 Y255 D314 | R238-T240 PolarHBondContact O-N 3.19Å; R238-T240 VanDerWaalsContact O-N 3.09Å; T240-A243 WeakPolarHBondContact O-CB 3.42Å; T240-A243 PolarHBondContact O-N 3.21Å; T240-F244 HydrophobicContact CG2-CD2 4.44Å; T240-F244 HydrophobicContact CG2-CE2 3.96Å; T240-F244 WeakPolarHBondContact O-CD2 3.49Å; T240-Y255 WeakPolarHBondContact CA-OH 3.36Å; T240-Y255 WeakPolarHBondContact CB-OH 3.33Å; T240-Y255 HydrophobicContact CG2-CE1 4.04Å; T240-Y255 HydrophobicContact CG2-CE2 4.07Å; T240-Y255 PolarHBondContact N-OH 3.05Å; T240-Y255 PolarHBondContact OG1-OH 3.37Å; T240-D314 WeakPolarHBondContact CB-OD2 3.34Å; T240-D314 HydrophobicContact CG2-CB 4.45Å; T240-D314 PolarHBondContact OG1-OD2 2.82Å |
| 241 | L | 89.5 | Confident | 89.6 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.8 | -40.4 | -178.9 | -69.3 | -175 | 0 | 0 | 0 | 112.2 | L235 L236 R238 A243 F244 F245 L292 | L235-L241 HydrophobicContact CD1-CD1 4.36Å; L235-L241 HydrophobicContact CG-CD1 3.89Å; L235-L241 WeakPolarHBondContact O-CD1 3.5Å; L236-L241 HydrophobicContact CD2-CD1 4.09Å; R238-L241 PolarHBondContact O-N 3.45Å; R238-L241 VanDerWaalsContact O-N 3.09Å; L241-A243 VanDerWaalsContact C-N 3.26Å; L241-A243 PolarHBondContact O-N 3.39Å; L241-F244 PolarHBondContact O-N 3.36Å; L241-F244 VanDerWaalsContact O-N 3.14Å; L241-F245 HydrophobicContact CB-CD2 4.02Å; L241-F245 HydrophobicContact CB-CE2 4.08Å; L241-F245 HydrophobicContact CD2-CE2 4.21Å; L241-F245 WeakPolarHBondContact O-CD2 3.47Å; L241-F245 PolarHBondContact O-N 2.97Å; L241-L292 HydrophobicContact CD1-CD1 4.07Å; L241-L292 HydrophobicContact CD1-CD2 4.24Å; L241-L292 HydrophobicContact CD1-CG 4.31Å; L241-L292 HydrophobicContact CD2-CD2 3.92Å; L241-L292 HydrophobicContact CD2-CG 4.28Å; L241-L292 HydrophobicContact CG-CD2 4.49Å |
| 242 | L | 87.8 | Confident | 89.1 | Confident | 23 Ų | 23 | 35 Ų | 35 | 12% | 0.12 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57 | -39.4 | 175.5 | -80 | -178.5 | 0 | 0 | 0 | 112.7 | V206 L236 N237 R238 F244 F245 R246 | V206-L242 HydrophobicContact CG2-CD2 4.45Å; L236-L242 VanDerWaalsContact O-CD2 3.27Å; L236-L242 WeakPolarHBondContact O-CD2 3.27Å; L236-L242 VanDerWaalsContact O-CG 3.22Å; L236-L242 WeakPolarHBondContact O-CG 3.4Å; N237-L242 VanDerWaalsContact O-CD1 3.23Å; N237-L242 WeakPolarHBondContact O-CD1 3.5Å; R238-L242 PolarHBondContact O-N 3.42Å; L242-F244 VanDerWaalsContact C-N 3.3Å; L242-F244 PolarHBondContact O-N 3.13Å; L242-F245 PolarHBondContact O-N 3.27Å; L242-R246 VanDerWaalsContact O-CB 3.27Å; L242-R246 WeakPolarHBondContact O-CB 3.41Å; L242-R246 PolarHBondContact O-N 2.94Å |
| 243 | A | 86.4 | Confident | 88.8 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.7 | -41.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | P239 T240 L241 V247 Q248 D251 Y255 | P239-A243 PolarHBondContact O-N 2.61Å; T240-A243 WeakPolarHBondContact O-CB 3.42Å; T240-A243 PolarHBondContact O-N 3.21Å; L241-A243 VanDerWaalsContact C-N 3.26Å; L241-A243 PolarHBondContact O-N 3.39Å; A243-V247 PolarHBondContact O-N 2.88Å; A243-Q248 PolarHBondContact O-N 2.75Å; A243-D251 HydrophobicContact CB-CB 3.6Å; A243-Y255 HydrophobicContact CB-CD2 4.48Å; A243-Y255 HydrophobicContact CB-CE2 3.97Å |
| 244 | F | 86.6 | Confident | 88.4 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -74.7 | -46.1 | 177.8 | -66.9 | -75.7 | 0 | 0 | 0 | 112.3 | T240 L241 L242 R246 V247 M252 Y255 F256 L289 | T240-F244 HydrophobicContact CG2-CD2 4.44Å; T240-F244 HydrophobicContact CG2-CE2 3.96Å; T240-F244 WeakPolarHBondContact O-CD2 3.49Å; L241-F244 PolarHBondContact O-N 3.36Å; L241-F244 VanDerWaalsContact O-N 3.14Å; L242-F244 VanDerWaalsContact C-N 3.3Å; L242-F244 PolarHBondContact O-N 3.13Å; F244-R246 PolarHBondContact O-N 3.49Å; F244-V247 PolarHBondContact O-N 3.42Å; F244-M252 HydrophobicContact CD1-CG 3.74Å; F244-M252 HydrophobicContact CD1-SD 3.73Å; F244-M252 HydrophobicContact CE1-CB 4.29Å; F244-M252 HydrophobicContact CE1-CG 3.96Å; F244-M252 HydrophobicContact CE1-SD 4.32Å; F244-M252 HydrophobicContact CG-CG 4.4Å; F244-Y255 AromaticContact CE2-CD2 3.99Å; F244-Y255 HydrophobicContact CE2-CD2 3.99Å; F244-Y255 HydrophobicContact CE2-CE2 4.4Å; F244-Y255 HydrophobicContact CE2-CG 4.47Å; F244-Y255 HydrophobicContact CZ-CD2 4.08Å; F244-Y255 HydrophobicContact CZ-CG 4.35Å; F244-F256 HydrophobicContact CE1-CE1 4.15Å; F244-F256 AromaticContact CE1-CZ 3.88Å; F244-F256 HydrophobicContact CE1-CZ 3.88Å; F244-L289 HydrophobicContact CE1-CD1 4.4Å; F244-L289 HydrophobicContact CE2-CB 4.2Å; F244-L289 HydrophobicContact CE2-CD1 4.07Å; F244-L289 HydrophobicContact CZ-CB 4.27Å; F244-L289 HydrophobicContact CZ-CD1 3.61Å |
| 245 | F | 84.7 | Confident | 88 | Confident | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.1 | -28.9 | -177 | -74 | -62.4 | 0 | 0 | 0 | 113.6 | V206 V209 M212 L236 L241 L242 V247 Y290 | V206-F245 HydrophobicContact CG1-CB 4.33Å; V209-F245 HydrophobicContact CB-CD1 3.79Å; V209-F245 HydrophobicContact CB-CE1 4.39Å; V209-F245 HydrophobicContact CG1-CD1 3.94Å; V209-F245 HydrophobicContact CG2-CD1 4.31Å; M212-F245 HydrophobicContact CE-CB 4.13Å; M212-F245 HydrophobicContact CE-CD1 3.57Å; M212-F245 HydrophobicContact CE-CD2 4.46Å; M212-F245 HydrophobicContact CE-CE1 4Å; M212-F245 HydrophobicContact CE-CG 3.81Å; M212-F245 HydrophobicContact CG-CD1 4.02Å; M212-F245 HydrophobicContact CG-CE1 3.45Å; M212-F245 VanDerWaalsContact CG-CE1 3.45Å; M212-F245 HydrophobicContact CG-CZ 3.91Å; L236-F245 HydrophobicContact CD2-CD2 3.83Å; L236-F245 HydrophobicContact CD2-CE2 3.27Å; L236-F245 HydrophobicContact CD2-CZ 3.86Å; L241-F245 HydrophobicContact CB-CD2 4.02Å; L241-F245 HydrophobicContact CB-CE2 4.08Å; L241-F245 HydrophobicContact CD2-CE2 4.21Å; L241-F245 WeakPolarHBondContact O-CD2 3.47Å; L241-F245 PolarHBondContact O-N 2.97Å; L242-F245 PolarHBondContact O-N 3.27Å; F245-V247 VanDerWaalsContact C-N 3.26Å; F245-Y290 HydrophobicContact CD1-CD2 4.2Å; F245-Y290 AromaticContact CE1-CD2 3.39Å; F245-Y290 HydrophobicContact CE1-CD2 3.39Å; F245-Y290 AromaticContact CE1-CE2 3.86Å; F245-Y290 HydrophobicContact CE1-CE2 3.86Å; F245-Y290 HydrophobicContact CE1-CG 4.48Å; F245-Y290 HydrophobicContact CE2-CD2 4.48Å; F245-Y290 AromaticContact CZ-CD2 3.58Å; F245-Y290 HydrophobicContact CZ-CD2 3.58Å; F245-Y290 HydrophobicContact CZ-CE2 4.33Å; F245-Y290 VanDerWaalsContact CZ-O 3.29Å; F245-Y290 WeakPolarHBondContact CZ-O 3.39Å |
| 246 | R | 84.1 | Confident | 87.8 | Confident | 106 Ų | 106 | 43.2 Ų | 43.2 | 40% | 0.4 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 1.7 | 170.8 | -70.1 | -179.6 | 163.8 | 177.5 | -5.1 | 113.5 | R203 D205 V206 L242 F244 Q248 | R203-R246 VanDerWaalsContact NH2-NH2 3.18Å; D205-R246 IonicContact OD2-CZ 2.88Å; D205-R246 IonicContact OD2-NE 3.78Å; D205-R246 IonicContact OD2-NH2 3.75Å; D205-R246 PolarHBondContact OD2-NH2 3.12Å; V206-R246 HydrophobicContact CG2-CG 4.24Å; L242-R246 VanDerWaalsContact O-CB 3.27Å; L242-R246 WeakPolarHBondContact O-CB 3.41Å; L242-R246 PolarHBondContact O-N 2.94Å; F244-R246 PolarHBondContact O-N 3.49Å; R246-Q248 HydrophobicContact CB-CG 3.9Å; R246-Q248 PolarHBondContact O-N 3.25Å |
| 247 | V | 81.4 | Confident | 87.6 | Confident | 100 Ų | 100 | 48.8 Ų | 48.8 | 61% | 0.606 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 41.4 | -178 | -161.7 | 0 | 0 | 0 | 0 | 111.2 | A243 F244 F245 Q249 M252 | A243-V247 PolarHBondContact O-N 2.88Å; F244-V247 PolarHBondContact O-N 3.42Å; F245-V247 VanDerWaalsContact C-N 3.26Å; V247-Q249 PolarHBondContact O-N 2.93Å; V247-M252 HydrophobicContact CG1-CE 3.93Å |
| 248 | Q | 81.5 | Confident | 87.4 | Confident | 71 Ų | 71 | 46.7 Ų | 46.7 | 33% | 0.332 | 24% | 0.235 | S | C | . | . | trans | -78 | 91.7 | 179.2 | -73.6 | -177.7 | -28.8 | 0 | 0 | 109.3 | A243 R246 S250 D251 M252 | A243-Q248 PolarHBondContact O-N 2.75Å; R246-Q248 HydrophobicContact CB-CG 3.9Å; R246-Q248 PolarHBondContact O-N 3.25Å; Q248-S250 VanDerWaalsContact C-N 3.3Å; Q248-S250 PolarHBondContact O-N 3.05Å; Q248-D251 HydrophobicContact CB-CB 4.1Å; Q248-D251 PolarHBondContact O-N 3.19Å; Q248-D251 PolarHBondContact OE1-OD2 3.39Å; Q248-M252 WeakPolarHBondContact O-CG 3.3Å; Q248-M252 PolarHBondContact O-N 2.94Å | ||
| 249 | Q | 84.2 | Confident | 87.4 | Confident | 109 Ų | 109 | 44.3 Ų | 44.3 | 51% | 0.509 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -49.6 | -46.7 | -173.1 | -174 | 63.3 | 22.7 | 0 | 0 | 113.2 | V247 D251 M252 E253 | V247-Q249 PolarHBondContact O-N 2.93Å; Q249-D251 VanDerWaalsContact C-N 3.3Å; Q249-D251 PolarHBondContact O-N 3.3Å; Q249-M252 PolarHBondContact O-N 3.41Å; Q249-E253 WeakPolarHBondContact CG-OE1 3.35Å; Q249-E253 PolarHBondContact NE2-OE1 2.96Å; Q249-E253 WeakPolarHBondContact O-CB 3.33Å; Q249-E253 VanDerWaalsContact O-CG 3.29Å; Q249-E253 WeakPolarHBondContact O-CG 3.38Å; Q249-E253 PolarHBondContact O-N 3.34Å |
| 250 | S | 86.6 | Confident | 87.8 | Confident | 72 Ų | 72 | 43.1 Ų | 43.1 | 50% | 0.503 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.1 | -37.5 | 179.6 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | Q248 R254 | Q248-S250 VanDerWaalsContact C-N 3.3Å; Q248-S250 PolarHBondContact O-N 3.05Å; S250-R254 WeakPolarHBondContact O-CG 3.48Å; S250-R254 PolarHBondContact O-N 3.45Å |
| 251 | D | 86.1 | Confident | 88.1 | Confident | 28 Ų | 28 | 45.4 Ų | 45.4 | 15% | 0.15 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -78.6 | -37.7 | -177.6 | -73.7 | 7.9 | 0 | 0 | 0 | 110.9 | A243 Q248 Q249 R254 Y255 R382 | A243-D251 HydrophobicContact CB-CB 3.6Å; Q248-D251 HydrophobicContact CB-CB 4.1Å; Q248-D251 PolarHBondContact O-N 3.19Å; Q248-D251 PolarHBondContact OE1-OD2 3.39Å; Q249-D251 VanDerWaalsContact C-N 3.3Å; Q249-D251 PolarHBondContact O-N 3.3Å; D251-R254 PolarHBondContact O-N 2.92Å; D251-Y255 WeakPolarHBondContact O-CD2 3.38Å; D251-Y255 PolarHBondContact O-N 3.05Å; D251-R382 IonicContact OD2-NH2 3.95Å |
| 252 | M | 88.8 | Confident | 88.2 | Confident | 13 Ų | 13 | 45.6 Ų | 45.6 | 6% | 0.064 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 172.7 | -65.4 | -169.3 | -67 | 0 | 0 | 111 | F244 V247 Q248 Q249 R254 Y255 F256 | F244-M252 HydrophobicContact CD1-CG 3.74Å; F244-M252 HydrophobicContact CD1-SD 3.73Å; F244-M252 HydrophobicContact CE1-CB 4.29Å; F244-M252 HydrophobicContact CE1-CG 3.96Å; F244-M252 HydrophobicContact CE1-SD 4.32Å; F244-M252 HydrophobicContact CG-CG 4.4Å; V247-M252 HydrophobicContact CG1-CE 3.93Å; Q248-M252 WeakPolarHBondContact O-CG 3.3Å; Q248-M252 PolarHBondContact O-N 2.94Å; Q249-M252 PolarHBondContact O-N 3.41Å; M252-R254 VanDerWaalsContact C-N 3.29Å; M252-R254 PolarHBondContact O-N 3.41Å; M252-Y255 WeakPolarHBondContact O-CB 3.29Å; M252-Y255 PolarHBondContact O-N 2.8Å; M252-F256 VanDerWaalsContact C-CD2 3.49Å; M252-F256 HydrophobicContact CB-CD2 4.34Å; M252-F256 HydrophobicContact CB-CE2 3.66Å; M252-F256 HydrophobicContact CB-CZ 4.22Å; M252-F256 WeakPolarHBondContact O-CD2 3.08Å; M252-F256 WeakPolarHBondContact O-CG 3.44Å; M252-F256 PolarHBondContact O-N 3.49Å |
| 253 | E | 90.3 | Very high | 88.5 | Confident | 97 Ų | 97 | 44.6 Ų | 44.6 | 45% | 0.453 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.1 | -39.9 | 176.3 | -77.5 | 172.6 | -172.3 | 0 | 0 | 112.7 | Q249 Y255 F256 L257 | Q249-E253 WeakPolarHBondContact CG-OE1 3.35Å; Q249-E253 PolarHBondContact NE2-OE1 2.96Å; Q249-E253 WeakPolarHBondContact O-CB 3.33Å; Q249-E253 VanDerWaalsContact O-CG 3.29Å; Q249-E253 WeakPolarHBondContact O-CG 3.38Å; Q249-E253 PolarHBondContact O-N 3.34Å; E253-Y255 VanDerWaalsContact C-N 3.33Å; E253-Y255 PolarHBondContact O-N 2.87Å; E253-F256 PolarHBondContact O-N 3.39Å; E253-L257 WeakPolarHBondContact O-CB 3.48Å; E253-L257 PolarHBondContact O-N 3.27Å |
| 254 | R | 88.8 | Confident | 88.9 | Confident | 74 Ų | 74 | 50.6 Ų | 50.6 | 28% | 0.279 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 174.1 | -72.2 | 173.2 | 179.5 | -153.4 | 1 | 111.5 | S250 D251 M252 A258 L378 D381 | S250-R254 WeakPolarHBondContact O-CG 3.48Å; S250-R254 PolarHBondContact O-N 3.45Å; D251-R254 PolarHBondContact O-N 2.92Å; M252-R254 VanDerWaalsContact C-N 3.29Å; M252-R254 PolarHBondContact O-N 3.41Å; R254-A258 VanDerWaalsContact O-CB 3.29Å; R254-A258 WeakPolarHBondContact O-CB 3.49Å; R254-A258 PolarHBondContact O-N 2.73Å; R254-L378 HydrophobicContact CB-CD2 3.99Å; R254-D381 PolarHBondContact NH1-O 3.39Å |
| 255 | Y | 89.7 | Confident | 89.2 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 2% | 0.024 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.3 | -40.5 | 176.6 | -73.2 | -61.6 | 0 | 0 | 0 | 112.8 | T240 A243 F244 D251 M252 E253 A258 Y259 F318 L378 R382 | T240-Y255 WeakPolarHBondContact CA-OH 3.36Å; T240-Y255 WeakPolarHBondContact CB-OH 3.33Å; T240-Y255 HydrophobicContact CG2-CE1 4.04Å; T240-Y255 HydrophobicContact CG2-CE2 4.07Å; T240-Y255 PolarHBondContact N-OH 3.05Å; T240-Y255 PolarHBondContact OG1-OH 3.37Å; A243-Y255 HydrophobicContact CB-CD2 4.48Å; A243-Y255 HydrophobicContact CB-CE2 3.97Å; F244-Y255 AromaticContact CE2-CD2 3.99Å; F244-Y255 HydrophobicContact CE2-CD2 3.99Å; F244-Y255 HydrophobicContact CE2-CE2 4.4Å; F244-Y255 HydrophobicContact CE2-CG 4.47Å; F244-Y255 HydrophobicContact CZ-CD2 4.08Å; F244-Y255 HydrophobicContact CZ-CG 4.35Å; D251-Y255 WeakPolarHBondContact O-CD2 3.38Å; D251-Y255 PolarHBondContact O-N 3.05Å; M252-Y255 WeakPolarHBondContact O-CB 3.29Å; M252-Y255 PolarHBondContact O-N 2.8Å; E253-Y255 VanDerWaalsContact C-N 3.33Å; E253-Y255 PolarHBondContact O-N 2.87Å; Y255-A258 PolarHBondContact O-N 3.22Å; Y255-Y259 VanDerWaalsContact O-CB 3.28Å; Y255-Y259 WeakPolarHBondContact O-CB 3.37Å; Y255-Y259 PolarHBondContact O-N 3.05Å; Y255-F318 AromaticContact CD1-CZ 3.83Å; Y255-F318 HydrophobicContact CD1-CZ 3.83Å; Y255-F318 HydrophobicContact CG-CZ 4.44Å; Y255-L378 HydrophobicContact CD1-CD1 4.18Å; Y255-L378 HydrophobicContact CE1-CD1 4.38Å; Y255-R382 PolarHBondContact OH-NH2 2.82Å |
| 256 | F | 92.7 | Very high | 89.7 | Confident | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 176.4 | -61.3 | -49.1 | 0 | 0 | 0 | 112 | F244 M252 E253 A258 Y259 D260 P281 E282 L285 I286 | F244-F256 HydrophobicContact CE1-CE1 4.15Å; F244-F256 AromaticContact CE1-CZ 3.88Å; F244-F256 HydrophobicContact CE1-CZ 3.88Å; M252-F256 VanDerWaalsContact C-CD2 3.49Å; M252-F256 HydrophobicContact CB-CD2 4.34Å; M252-F256 HydrophobicContact CB-CE2 3.66Å; M252-F256 HydrophobicContact CB-CZ 4.22Å; M252-F256 WeakPolarHBondContact O-CD2 3.08Å; M252-F256 WeakPolarHBondContact O-CG 3.44Å; M252-F256 PolarHBondContact O-N 3.49Å; E253-F256 PolarHBondContact O-N 3.39Å; F256-A258 VanDerWaalsContact C-N 3.33Å; F256-A258 PolarHBondContact O-N 3.45Å; F256-Y259 PolarHBondContact O-N 3.14Å; F256-D260 WeakPolarHBondContact O-CB 3.17Å; F256-D260 PolarHBondContact O-N 3.38Å; F256-P281 HydrophobicContact CD1-CB 4.34Å; F256-E282 HydrophobicContact CD1-CG 4.17Å; F256-E282 HydrophobicContact CD2-CG 3.45Å; F256-E282 VanDerWaalsContact CD2-CG 3.45Å; F256-E282 HydrophobicContact CE1-CG 4.25Å; F256-E282 HydrophobicContact CE2-CB 4.46Å; F256-E282 HydrophobicContact CE2-CG 3.53Å; F256-E282 HydrophobicContact CG-CG 3.82Å; F256-E282 HydrophobicContact CZ-CB 4.49Å; F256-E282 HydrophobicContact CZ-CG 3.97Å; F256-L285 HydrophobicContact CD1-CD2 4.04Å; F256-L285 HydrophobicContact CE1-CB 4.4Å; F256-L285 HydrophobicContact CE1-CD2 4.36Å; F256-I286 HydrophobicContact CE1-CG1 3.85Å; F256-I286 HydrophobicContact CE2-CG1 4.48Å; F256-I286 HydrophobicContact CZ-CD1 3.87Å; F256-I286 HydrophobicContact CZ-CG1 3.4Å; F256-I286 VanDerWaalsContact CZ-CG1 3.4Å |
| 257 | L | 91.6 | Very high | 90.2 | Very high | 118 Ų | 118 | 49 Ų | 49 | 62% | 0.618 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.9 | -41.4 | 177.6 | 179.4 | 61.8 | 0 | 0 | 0 | 111.9 | E253 D260 T261 | E253-L257 WeakPolarHBondContact O-CB 3.48Å; E253-L257 PolarHBondContact O-N 3.27Å; L257-D260 PolarHBondContact O-N 3.07Å; L257-T261 PolarHBondContact O-N 3.15Å; L257-T261 PolarHBondContact O-OG1 2.86Å |
| 258 | A | 89.9 | Confident | 91 | Very high | 6 Ų | 6 | 47.3 Ų | 47.3 | 5% | 0.05 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.9 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R254 Y255 F256 T261 Y262 F318 L374 L378 | R254-A258 VanDerWaalsContact O-CB 3.29Å; R254-A258 WeakPolarHBondContact O-CB 3.49Å; R254-A258 PolarHBondContact O-N 2.73Å; Y255-A258 PolarHBondContact O-N 3.22Å; F256-A258 VanDerWaalsContact C-N 3.33Å; F256-A258 PolarHBondContact O-N 3.45Å; A258-T261 PolarHBondContact O-N 3.46Å; A258-Y262 WeakPolarHBondContact O-CB 3.49Å; A258-Y262 PolarHBondContact O-N 3.47Å; A258-F318 HydrophobicContact CB-CE2 4.43Å; A258-L374 HydrophobicContact CB-CD2 3.37Å; A258-L378 HydrophobicContact CB-CD1 3.49Å; A258-L378 VanDerWaalsContact CB-CD1 3.49Å; A258-L378 HydrophobicContact CB-CD2 3.94Å; A258-L378 HydrophobicContact CB-CG 3.99Å |
| 259 | Y | 92.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 174.2 | 174.1 | -90 | 0 | 0 | 0 | 111.8 | Y255 F256 T261 Y262 F263 P281 Y284 L285 F318 A321 L322 L325 | Y255-Y259 VanDerWaalsContact O-CB 3.28Å; Y255-Y259 WeakPolarHBondContact O-CB 3.37Å; Y255-Y259 PolarHBondContact O-N 3.05Å; F256-Y259 PolarHBondContact O-N 3.14Å; Y259-T261 VanDerWaalsContact C-N 3.35Å; Y259-T261 PolarHBondContact O-N 3.46Å; Y259-Y262 CarbonylContact O-C 3.54Å; Y259-Y262 WeakPolarHBondContact O-CA 3.21Å; Y259-Y262 WeakPolarHBondContact O-CB 3.29Å; Y259-Y262 PolarHBondContact O-N 2.74Å; Y259-Y262 VanDerWaalsContact O-N 3.13Å; Y259-F263 HydrophobicContact CE1-CB 4.21Å; Y259-F263 HydrophobicContact CE1-CD1 4.42Å; Y259-F263 WeakPolarHBondContact O-CB 3.5Å; Y259-F263 PolarHBondContact O-N 2.8Å; Y259-P281 HydrophobicContact CD1-CB 3.81Å; Y259-P281 HydrophobicContact CD1-CG 3.96Å; Y259-P281 HydrophobicContact CE1-CB 4.06Å; Y259-P281 HydrophobicContact CE1-CG 4.24Å; Y259-Y284 HydrophobicContact CE1-CE2 4.41Å; Y259-Y284 VanDerWaalsContact CE1-OH 3.27Å; Y259-Y284 WeakPolarHBondContact CE1-OH 2.99Å; Y259-Y284 PolarHBondContact OH-OH 3.27Å; Y259-L285 HydrophobicContact CD1-CD2 3.5Å; Y259-L285 HydrophobicContact CD2-CD1 4.25Å; Y259-L285 HydrophobicContact CD2-CD2 3.74Å; Y259-L285 HydrophobicContact CE1-CD2 3.97Å; Y259-L285 HydrophobicContact CE2-CD1 4.02Å; Y259-L285 HydrophobicContact CE2-CD2 4.18Å; Y259-L285 HydrophobicContact CG-CD2 3.35Å; Y259-F318 HydrophobicContact CD2-CB 4.09Å; Y259-F318 HydrophobicContact CD2-CD1 4.09Å; Y259-F318 HydrophobicContact CD2-CD2 4.48Å; Y259-F318 AromaticContact CD2-CG 3.98Å; Y259-F318 HydrophobicContact CD2-CG 3.98Å; Y259-A321 HydrophobicContact CE2-CB 3.64Å; Y259-L322 HydrophobicContact CE2-CD2 4Å; Y259-L322 HydrophobicContact CE2-CG 3.97Å; Y259-L325 VanDerWaalsContact OH-CD1 3.27Å; Y259-L325 WeakPolarHBondContact OH-CD1 3.27Å |
| 260 | D | 94.7 | Very high | 92.4 | Very high | 47 Ų | 47 | 44.3 Ų | 44.3 | 25% | 0.251 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 179.6 | -172.7 | 65.3 | 0 | 0 | 0 | 111.8 | F256 L257 Y262 F263 K264 H271 P281 | F256-D260 WeakPolarHBondContact O-CB 3.17Å; F256-D260 PolarHBondContact O-N 3.38Å; L257-D260 PolarHBondContact O-N 3.07Å; D260-Y262 VanDerWaalsContact C-N 3.29Å; D260-Y262 PolarHBondContact O-N 2.92Å; D260-F263 WeakPolarHBondContact O-CB 3.23Å; D260-F263 PolarHBondContact O-N 3.46Å; D260-K264 WeakPolarHBondContact O-CB 3.37Å; D260-K264 PolarHBondContact O-N 2.99Å; D260-H271 VanDerWaalsContact CG-NE2 3.35Å; D260-H271 IonicContact OD1-CD2 2.75Å; D260-H271 PolarHBondContact OD1-CD2 3.35Å; D260-H271 IonicContact OD1-NE2 3.61Å; D260-H271 PolarHBondContact OD1-NE2 3.41Å; D260-H271 IonicContact OD2-CE1 3.97Å; D260-H271 IonicContact OD2-NE2 3.08Å; D260-H271 PolarHBondContact OD2-NE2 2.72Å; D260-P281 HydrophobicContact CB-CG 4.24Å |
| 261 | T | 92 | Very high | 93 | Very high | 54 Ų | 54 | 41.5 Ų | 41.5 | 33% | 0.331 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.3 | -43.4 | 173.4 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | L257 A258 Y259 L265 L374 | L257-T261 PolarHBondContact O-N 3.15Å; L257-T261 PolarHBondContact O-OG1 2.86Å; A258-T261 PolarHBondContact O-N 3.46Å; Y259-T261 VanDerWaalsContact C-N 3.35Å; Y259-T261 PolarHBondContact O-N 3.46Å; T261-L265 HydrophobicContact CG2-CD1 4.49Å; T261-L265 WeakPolarHBondContact O-CG 3.24Å; T261-L265 PolarHBondContact O-N 3.31Å; T261-L374 HydrophobicContact CG2-CD1 3.5Å; T261-L374 VanDerWaalsContact CG2-CD1 3.5Å |
| 262 | Y | 91.2 | Very high | 93.6 | Very high | 10 Ų | 10 | 43 Ų | 43 | 4% | 0.039 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.6 | -44.7 | 176.9 | -171.8 | -173.3 | 0 | 0 | 0 | 111.2 | A258 Y259 D260 K264 L265 S266 F318 D319 L322 V367 | A258-Y262 WeakPolarHBondContact O-CB 3.49Å; A258-Y262 PolarHBondContact O-N 3.47Å; Y259-Y262 CarbonylContact O-C 3.54Å; Y259-Y262 WeakPolarHBondContact O-CA 3.21Å; Y259-Y262 WeakPolarHBondContact O-CB 3.29Å; Y259-Y262 PolarHBondContact O-N 2.74Å; Y259-Y262 VanDerWaalsContact O-N 3.13Å; D260-Y262 VanDerWaalsContact C-N 3.29Å; D260-Y262 PolarHBondContact O-N 2.92Å; Y262-K264 PolarHBondContact O-N 3.23Å; Y262-L265 PolarHBondContact O-N 3.24Å; Y262-L265 VanDerWaalsContact O-N 3.12Å; Y262-S266 WeakPolarHBondContact CD2-OG 3.28Å; Y262-S266 WeakPolarHBondContact CE2-OG 3.42Å; Y262-S266 PolarHBondContact O-N 3.05Å; Y262-S266 PolarHBondContact O-OG 2.83Å; Y262-F318 HydrophobicContact CD1-CB 3.87Å; Y262-F318 HydrophobicContact CD1-CD2 4.37Å; Y262-F318 HydrophobicContact CE1-CB 3.95Å; Y262-D319 VanDerWaalsContact CE1-OD1 3.25Å; Y262-D319 WeakPolarHBondContact CE1-OD1 3.46Å; Y262-D319 VanDerWaalsContact CZ-OD1 3.28Å; Y262-D319 PolarHBondContact OH-OD1 2.82Å; Y262-L322 HydrophobicContact CD1-CD1 3.63Å; Y262-L322 HydrophobicContact CD2-CD1 3.46Å; Y262-L322 VanDerWaalsContact CD2-CD1 3.46Å; Y262-L322 HydrophobicContact CE1-CD1 3.65Å; Y262-L322 HydrophobicContact CE2-CD1 3.34Å; Y262-L322 HydrophobicContact CG-CD1 3.55Å; Y262-V367 HydrophobicContact CD2-CB 4.23Å; Y262-V367 HydrophobicContact CD2-CG1 4.09Å; Y262-V367 HydrophobicContact CD2-CG2 3.87Å; Y262-V367 HydrophobicContact CE2-CB 3.83Å; Y262-V367 HydrophobicContact CE2-CG1 3.88Å; Y262-V367 HydrophobicContact CE2-CG2 3.03Å; Y262-V367 WeakPolarHBondContact OH-CG2 3.48Å |
| 263 | F | 95.2 | Very high | 94.1 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.4 | -46.9 | 177.4 | 179.8 | -157.7 | 0 | 0 | 0 | 112 | Y259 D260 L265 S266 L267 L270 H271 F274 L322 L325 | Y259-F263 HydrophobicContact CE1-CB 4.21Å; Y259-F263 HydrophobicContact CE1-CD1 4.42Å; Y259-F263 WeakPolarHBondContact O-CB 3.5Å; Y259-F263 PolarHBondContact O-N 2.8Å; D260-F263 WeakPolarHBondContact O-CB 3.23Å; D260-F263 PolarHBondContact O-N 3.46Å; F263-L265 VanDerWaalsContact C-N 3.29Å; F263-L265 PolarHBondContact O-N 3.47Å; F263-S266 PolarHBondContact O-N 2.82Å; F263-L267 HydrophobicContact CD2-CB 3.99Å; F263-L267 HydrophobicContact CD2-CD1 4.29Å; F263-L267 HydrophobicContact CE2-CB 3.83Å; F263-L267 HydrophobicContact CE2-CD1 4.11Å; F263-L267 PolarHBondContact O-N 3.43Å; F263-L270 HydrophobicContact CE2-CB 4.08Å; F263-L270 HydrophobicContact CE2-CD2 4.02Å; F263-L270 HydrophobicContact CE2-CG 4.04Å; F263-L270 HydrophobicContact CZ-CB 4.26Å; F263-L270 HydrophobicContact CZ-CD2 4.19Å; F263-L270 HydrophobicContact CZ-CG 3.92Å; F263-H271 HydrophobicContact CD1-CB 4.29Å; F263-H271 AromaticContact CD1-CD2 3.53Å; F263-H271 HydrophobicContact CD2-CB 4.22Å; F263-H271 HydrophobicContact CE1-CB 4.19Å; F263-H271 AromaticContact CE1-CD2 3.98Å; F263-H271 HydrophobicContact CE2-CB 4.12Å; F263-H271 HydrophobicContact CG-CB 4.29Å; F263-H271 AromaticContact CG-CD2 3.88Å; F263-H271 HydrophobicContact CZ-CB 4.1Å; F263-F274 HydrophobicContact CE1-CB 4.15Å; F263-F274 AromaticContact CE1-CD2 3.55Å; F263-F274 HydrophobicContact CE1-CD2 3.55Å; F263-F274 HydrophobicContact CE1-CE2 4.14Å; F263-F274 AromaticContact CE1-CG 3.99Å; F263-F274 HydrophobicContact CE1-CG 3.99Å; F263-F274 HydrophobicContact CZ-CB 4.47Å; F263-F274 AromaticContact CZ-CD2 3.8Å; F263-F274 HydrophobicContact CZ-CD2 3.8Å; F263-F274 HydrophobicContact CZ-CE2 4.1Å; F263-F274 HydrophobicContact CZ-CG 4.04Å; F263-L322 HydrophobicContact CB-CD2 3.74Å; F263-L322 HydrophobicContact CD2-CD2 3.72Å; F263-L322 HydrophobicContact CG-CD2 3.98Å; F263-L325 HydrophobicContact CD2-CD1 4.07Å; F263-L325 HydrophobicContact CE1-CD1 4.27Å; F263-L325 HydrophobicContact CE2-CD1 3.76Å; F263-L325 HydrophobicContact CG-CD1 4.48Å; F263-L325 HydrophobicContact CZ-CD1 3.86Å |
| 264 | K | 94.9 | Very high | 94.5 | Very high | 126 Ų | 126 | 39.8 Ų | 39.8 | 55% | 0.548 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -56.3 | -41.3 | 175.3 | -174.7 | 175 | -178.9 | 174.7 | 0 | 113.1 | D260 Y262 P268 H271 | D260-K264 WeakPolarHBondContact O-CB 3.37Å; D260-K264 PolarHBondContact O-N 2.99Å; Y262-K264 PolarHBondContact O-N 3.23Å; K264-P268 WeakPolarHBondContact O-CA 3.16Å; K264-P268 WeakPolarHBondContact O-CB 3.35Å; K264-H271 HydrophobicContact CB-CB 4.45Å |
| 265 | L | 93 | Very high | 94.9 | Very high | 89 Ų | 89 | 40.4 Ų | 40.4 | 47% | 0.466 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -73.1 | -39 | -179.9 | -67.5 | 171.9 | 0 | 0 | 0 | 112.2 | T261 Y262 F263 V367 E370 | T261-L265 HydrophobicContact CG2-CD1 4.49Å; T261-L265 WeakPolarHBondContact O-CG 3.24Å; T261-L265 PolarHBondContact O-N 3.31Å; Y262-L265 PolarHBondContact O-N 3.24Å; Y262-L265 VanDerWaalsContact O-N 3.12Å; F263-L265 VanDerWaalsContact C-N 3.29Å; F263-L265 PolarHBondContact O-N 3.47Å; L265-V367 HydrophobicContact CB-CG1 3.83Å; L265-E370 HydrophobicContact CD1-CB 4Å; L265-E370 HydrophobicContact CD1-CG 4.16Å |
| 266 | S | 93.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -81.2 | -38.7 | -175.2 | -67.5 | 0 | 0 | 0 | 0 | 114.6 | Y262 F263 R366 V367 | Y262-S266 WeakPolarHBondContact CD2-OG 3.28Å; Y262-S266 WeakPolarHBondContact CE2-OG 3.42Å; Y262-S266 PolarHBondContact O-N 3.05Å; Y262-S266 PolarHBondContact O-OG 2.83Å; F263-S266 PolarHBondContact O-N 2.82Å; S266-R366 PolarHBondContact O-NH1 3.03Å; S266-V367 WeakPolarHBondContact OG-CG1 3.5Å |
| 267 | L | 96 | Very high | 95.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -137.3 | 61.8 | -171.5 | -58.6 | 172.7 | 0 | 0 | 0 | 110 | F263 N269 L270 H271 L322 L325 C326 V363 | F263-L267 HydrophobicContact CD2-CB 3.99Å; F263-L267 HydrophobicContact CD2-CD1 4.29Å; F263-L267 HydrophobicContact CE2-CB 3.83Å; F263-L267 HydrophobicContact CE2-CD1 4.11Å; F263-L267 PolarHBondContact O-N 3.43Å; L267-N269 VanDerWaalsContact C-N 3.29Å; L267-N269 PolarHBondContact O-N 2.78Å; L267-L270 HydrophobicContact CB-CB 4.14Å; L267-L270 HydrophobicContact CD1-CD2 4.18Å; L267-L270 PolarHBondContact O-N 3.35Å; L267-L270 VanDerWaalsContact O-N 3.11Å; L267-H271 WeakPolarHBondContact O-CB 3.47Å; L267-H271 PolarHBondContact O-N 2.84Å; L267-L322 HydrophobicContact CD1-CD2 4.48Å; L267-L325 HydrophobicContact CD1-CB 3.81Å; L267-C326 HydrophobicContact CD1-CB 4.06Å; L267-C326 HydrophobicContact CD2-CB 3.91Å; L267-V363 HydrophobicContact CD2-CG1 4.43Å | ||
| 268 | P | 96.7 | Very high | 95.9 | Very high | 65 Ų | 65 | 48.1 Ų | 48.1 | 42% | 0.422 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.1 | -35.3 | -169.2 | 21.7 | -34.1 | 0 | 0 | 0 | 114.2 | K264 S272 | K264-P268 WeakPolarHBondContact O-CA 3.16Å; K264-P268 WeakPolarHBondContact O-CB 3.35Å; P268-S272 WeakPolarHBondContact O-CB 3.45Å; P268-S272 PolarHBondContact O-N 2.71Å; P268-S272 PolarHBondContact O-OG 3.18Å |
| 269 | N | 98.3 | Very high | 96.3 | Very high | 116 Ų | 116 | 48.2 Ų | 48.2 | 62% | 0.62 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -67.9 | -45.9 | 178.3 | -65.1 | -21.4 | 0 | 0 | 0 | 111.1 | L267 S272 H273 | L267-N269 VanDerWaalsContact C-N 3.29Å; L267-N269 PolarHBondContact O-N 2.78Å; N269-S272 PolarHBondContact O-N 3.15Å; N269-H273 PolarHBondContact O-N 3.14Å |
| 270 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.1 | -39.1 | 178.4 | -171.9 | 65 | 0 | 0 | 0 | 111.6 | F263 L267 H273 F274 L325 E329 L332 L333 | F263-L270 HydrophobicContact CE2-CB 4.08Å; F263-L270 HydrophobicContact CE2-CD2 4.02Å; F263-L270 HydrophobicContact CE2-CG 4.04Å; F263-L270 HydrophobicContact CZ-CB 4.26Å; F263-L270 HydrophobicContact CZ-CD2 4.19Å; F263-L270 HydrophobicContact CZ-CG 3.92Å; L267-L270 HydrophobicContact CB-CB 4.14Å; L267-L270 HydrophobicContact CD1-CD2 4.18Å; L267-L270 PolarHBondContact O-N 3.35Å; L267-L270 VanDerWaalsContact O-N 3.11Å; L270-H273 WeakPolarHBondContact O-CB 3.45Å; L270-H273 PolarHBondContact O-N 3.34Å; L270-F274 HydrophobicContact CD1-CD1 4.09Å; L270-F274 HydrophobicContact CD1-CE1 3.6Å; L270-F274 HydrophobicContact CD1-CZ 4.33Å; L270-F274 HydrophobicContact CG-CD1 4.26Å; L270-F274 HydrophobicContact CG-CE1 3.94Å; L270-F274 HydrophobicContact CG-CZ 4.37Å; L270-F274 WeakPolarHBondContact O-CD1 3.05Å; L270-F274 PolarHBondContact O-N 3.3Å; L270-L325 HydrophobicContact CD2-CB 3.93Å; L270-E329 HydrophobicContact CB-CG 4.36Å; L270-E329 HydrophobicContact CD2-CB 4.5Å; L270-E329 HydrophobicContact CD2-CG 4.36Å; L270-L332 HydrophobicContact CD1-CB 3.68Å; L270-L332 HydrophobicContact CD1-CD1 4.46Å; L270-L332 HydrophobicContact CD2-CD1 4.06Å; L270-L333 HydrophobicContact CD1-CD2 4Å; L270-L333 HydrophobicContact CD1-CG 4.01Å |
| 271 | H | 98.6 | Very high | 96.6 | Very high | 13 Ų | 13 | 52.8 Ų | 52.8 | 6% | 0.06 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.5 | -49.2 | 173.1 | 178.9 | -90.6 | 0 | 0 | 0 | 111.2 | D260 F263 K264 L267 H273 F274 V275 | D260-H271 VanDerWaalsContact CG-NE2 3.35Å; D260-H271 IonicContact OD1-CD2 2.75Å; D260-H271 PolarHBondContact OD1-CD2 3.35Å; D260-H271 IonicContact OD1-NE2 3.61Å; D260-H271 PolarHBondContact OD1-NE2 3.41Å; D260-H271 IonicContact OD2-CE1 3.97Å; D260-H271 IonicContact OD2-NE2 3.08Å; D260-H271 PolarHBondContact OD2-NE2 2.72Å; F263-H271 HydrophobicContact CD1-CB 4.29Å; F263-H271 AromaticContact CD1-CD2 3.53Å; F263-H271 HydrophobicContact CD2-CB 4.22Å; F263-H271 HydrophobicContact CE1-CB 4.19Å; F263-H271 AromaticContact CE1-CD2 3.98Å; F263-H271 HydrophobicContact CE2-CB 4.12Å; F263-H271 HydrophobicContact CG-CB 4.29Å; F263-H271 AromaticContact CG-CD2 3.88Å; F263-H271 HydrophobicContact CZ-CB 4.1Å; K264-H271 HydrophobicContact CB-CB 4.45Å; L267-H271 WeakPolarHBondContact O-CB 3.47Å; L267-H271 PolarHBondContact O-N 2.84Å; H271-H273 VanDerWaalsContact C-N 3.27Å; H271-H273 PolarHBondContact O-N 3.41Å; H271-F274 PolarHBondContact O-N 2.92Å; H271-F274 VanDerWaalsContact O-N 3.09Å; H271-V275 VanDerWaalsContact CE1-CG2 3.47Å; H271-V275 WeakPolarHBondContact CE1-CG2 3.41Å; H271-V275 WeakPolarHBondContact O-CG2 3.23Å; H271-V275 PolarHBondContact O-N 3.02Å |
| 272 | S | 98.6 | Very high | 96.7 | Very high | 61 Ų | 61 | 52.7 Ų | 52.7 | 43% | 0.427 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 177.4 | -58.5 | 0 | 0 | 0 | 0 | 112 | P268 N269 N276 | P268-S272 WeakPolarHBondContact O-CB 3.45Å; P268-S272 PolarHBondContact O-N 2.71Å; P268-S272 PolarHBondContact O-OG 3.18Å; N269-S272 PolarHBondContact O-N 3.15Å; S272-N276 WeakPolarHBondContact O-CB 3.43Å; S272-N276 PolarHBondContact O-N 3.47Å; S272-N276 PolarHBondContact O-ND2 3.31Å |
| 273 | H | 98.7 | Very high | 96.9 | Very high | 40 Ų | 40 | 55.1 Ų | 55.1 | 19% | 0.185 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 174 | -174.4 | 64.5 | 0 | 0 | 0 | 112 | N269 L270 H271 N276 L277 L332 L333 M335 | N269-H273 PolarHBondContact O-N 3.14Å; L270-H273 WeakPolarHBondContact O-CB 3.45Å; L270-H273 PolarHBondContact O-N 3.34Å; H271-H273 VanDerWaalsContact C-N 3.27Å; H271-H273 PolarHBondContact O-N 3.41Å; H273-N276 PolarHBondContact O-N 3.44Å; H273-L277 VanDerWaalsContact NE2-CD1 3.27Å; H273-L277 WeakPolarHBondContact NE2-CD1 3.48Å; H273-L277 WeakPolarHBondContact O-CG 3.29Å; H273-L277 PolarHBondContact O-N 2.94Å; H273-L332 PolarHBondContact NE2-O 2.92Å; H273-L333 HydrophobicContact CB-CD2 3.85Å; H273-M335 PolarHBondContact NE2-O 2.93Å |
| 274 | F | 98.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 178.8 | -81.9 | 29.1 | 0 | 0 | 0 | 111.7 | F263 L270 H271 N276 L277 D278 V279 Y284 L325 L332 V340 L344 | F263-F274 HydrophobicContact CE1-CB 4.15Å; F263-F274 AromaticContact CE1-CD2 3.55Å; F263-F274 HydrophobicContact CE1-CD2 3.55Å; F263-F274 HydrophobicContact CE1-CE2 4.14Å; F263-F274 AromaticContact CE1-CG 3.99Å; F263-F274 HydrophobicContact CE1-CG 3.99Å; F263-F274 HydrophobicContact CZ-CB 4.47Å; F263-F274 AromaticContact CZ-CD2 3.8Å; F263-F274 HydrophobicContact CZ-CD2 3.8Å; F263-F274 HydrophobicContact CZ-CE2 4.1Å; F263-F274 HydrophobicContact CZ-CG 4.04Å; L270-F274 HydrophobicContact CD1-CD1 4.09Å; L270-F274 HydrophobicContact CD1-CE1 3.6Å; L270-F274 HydrophobicContact CD1-CZ 4.33Å; L270-F274 HydrophobicContact CG-CD1 4.26Å; L270-F274 HydrophobicContact CG-CE1 3.94Å; L270-F274 HydrophobicContact CG-CZ 4.37Å; L270-F274 WeakPolarHBondContact O-CD1 3.05Å; L270-F274 PolarHBondContact O-N 3.3Å; H271-F274 PolarHBondContact O-N 2.92Å; H271-F274 VanDerWaalsContact O-N 3.09Å; F274-N276 PolarHBondContact O-N 3.3Å; F274-L277 CarbonylContact O-C 3.55Å; F274-L277 PolarHBondContact O-N 3.26Å; F274-D278 PolarHBondContact O-N 2.78Å; F274-V279 HydrophobicContact CB-CB 4.09Å; F274-V279 HydrophobicContact CD2-CB 4.04Å; F274-V279 HydrophobicContact CD2-CG1 3.71Å; F274-V279 HydrophobicContact CE2-CG1 4Å; F274-V279 HydrophobicContact CG-CB 4.03Å; F274-V279 HydrophobicContact CG-CG1 4.2Å; F274-V279 PolarHBondContact O-N 3.22Å; F274-Y284 HydrophobicContact CD2-CE1 4.45Å; F274-Y284 HydrophobicContact CE2-CE1 4.11Å; F274-L325 HydrophobicContact CE2-CD2 4.35Å; F274-L325 HydrophobicContact CZ-CD2 4.33Å; F274-L332 HydrophobicContact CE1-CB 4.38Å; F274-L332 HydrophobicContact CZ-CD1 4.33Å; F274-V340 HydrophobicContact CE1-CG1 3.83Å; F274-V340 HydrophobicContact CE1-CG2 4.29Å; F274-V340 HydrophobicContact CE2-CG1 4.12Å; F274-V340 HydrophobicContact CZ-CG1 3.59Å; F274-L344 HydrophobicContact CE2-CD1 3.81Å; F274-L344 HydrophobicContact CZ-CD1 3.87Å |
| 275 | V | 98.3 | Very high | 97 | Very high | 87 Ų | 87 | 49.2 Ų | 49.2 | 53% | 0.527 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 174.2 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | H271 L277 D278 | H271-V275 VanDerWaalsContact CE1-CG2 3.47Å; H271-V275 WeakPolarHBondContact CE1-CG2 3.41Å; H271-V275 WeakPolarHBondContact O-CG2 3.23Å; H271-V275 PolarHBondContact O-N 3.02Å; V275-L277 PolarHBondContact O-N 2.91Å; V275-D278 PolarHBondContact O-N 2.98Å; V275-D278 VanDerWaalsContact O-N 3.16Å |
| 276 | N | 98.5 | Very high | 96.9 | Very high | 136 Ų | 136 | 47.8 Ų | 47.8 | 73% | 0.727 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -64.4 | -28.5 | 178.3 | -70.6 | -23.6 | 0 | 0 | 0 | 113 | S272 H273 F274 | S272-N276 WeakPolarHBondContact O-CB 3.43Å; S272-N276 PolarHBondContact O-N 3.47Å; S272-N276 PolarHBondContact O-ND2 3.31Å; H273-N276 PolarHBondContact O-N 3.44Å; F274-N276 PolarHBondContact O-N 3.3Å |
| 277 | L | 98.3 | Very high | 96.8 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -90.9 | -4.4 | 177 | -68.1 | -179.8 | 0 | 0 | 0 | 113.9 | H273 F274 V275 V279 M335 F337 V340 | H273-L277 VanDerWaalsContact NE2-CD1 3.27Å; H273-L277 WeakPolarHBondContact NE2-CD1 3.48Å; H273-L277 WeakPolarHBondContact O-CG 3.29Å; H273-L277 PolarHBondContact O-N 2.94Å; F274-L277 CarbonylContact O-C 3.55Å; F274-L277 PolarHBondContact O-N 3.26Å; V275-L277 PolarHBondContact O-N 2.91Å; L277-V279 HydrophobicContact CB-CG2 3.9Å; L277-V279 PolarHBondContact O-N 3.03Å; L277-M335 WeakPolarHBondContact CD1-O 3.08Å; L277-F337 VanDerWaalsContact O-CD2 3.25Å; L277-F337 WeakPolarHBondContact O-CD2 3.1Å; L277-V340 HydrophobicContact CD1-CG2 4.35Å |
| 278 | D | 97.9 | Very high | 96.9 | Very high | 108 Ų | 108 | 49.6 Ų | 49.6 | 58% | 0.578 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 32.4 | -170.1 | -163.7 | 37.7 | 0 | 0 | 0 | 114 | F274 V275 R280 | F274-D278 PolarHBondContact O-N 2.78Å; V275-D278 PolarHBondContact O-N 2.98Å; V275-D278 VanDerWaalsContact O-N 3.16Å; D278-R280 PolarHBondContact O-N 3.34Å |
| 279 | V | 98.4 | Very high | 96.7 | Very high | 8 Ų | 8 | 46.6 Ų | 46.6 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | trans | -82.8 | 101.3 | 172.1 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | F274 L277 Y284 F337 V340 | F274-V279 HydrophobicContact CB-CB 4.09Å; F274-V279 HydrophobicContact CD2-CB 4.04Å; F274-V279 HydrophobicContact CD2-CG1 3.71Å; F274-V279 HydrophobicContact CE2-CG1 4Å; F274-V279 HydrophobicContact CG-CB 4.03Å; F274-V279 HydrophobicContact CG-CG1 4.2Å; F274-V279 PolarHBondContact O-N 3.22Å; L277-V279 HydrophobicContact CB-CG2 3.9Å; L277-V279 PolarHBondContact O-N 3.03Å; V279-Y284 HydrophobicContact CG1-CE1 4.46Å; V279-F337 HydrophobicContact CG2-CD2 3.62Å; V279-F337 HydrophobicContact CG2-CE2 4.23Å; V279-F337 HydrophobicContact CG2-CG 4.46Å; V279-V340 HydrophobicContact CB-CG1 4.43Å; V279-V340 HydrophobicContact CG1-CG1 3.78Å; V279-V340 HydrophobicContact CG2-CB 4.17Å; V279-V340 HydrophobicContact CG2-CG1 4Å | ||
| 280 | R | 96.6 | Very high | 96.4 | Very high | 132 Ų | 132 | 42.3 Ų | 42.3 | 50% | 0.498 | 22% | 0.218 | S | C | . | . | trans | -88.9 | 147 | 180 | -52.5 | -178.7 | -74.5 | 147.7 | -2 | 112.1 | D278 E282 L283 | D278-R280 PolarHBondContact O-N 3.34Å; R280-E282 WeakPolarHBondContact CB-OE2 3.39Å; R280-E282 PolarHBondContact O-N 3Å; R280-E282 VanDerWaalsContact O-N 3.14Å; R280-L283 WeakPolarHBondContact O-CB 3.3Å; R280-L283 PolarHBondContact O-N 3.07Å; R280-L283 VanDerWaalsContact O-N 3.13Å | ||
| 281 | P | 96.2 | Very high | 96.3 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 7% | 0.071 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -35.3 | -179 | -28.9 | 36.3 | 0 | 0 | 0 | 114.7 | F256 Y259 D260 L283 Y284 L285 | F256-P281 HydrophobicContact CD1-CB 4.34Å; Y259-P281 HydrophobicContact CD1-CB 3.81Å; Y259-P281 HydrophobicContact CD1-CG 3.96Å; Y259-P281 HydrophobicContact CE1-CB 4.06Å; Y259-P281 HydrophobicContact CE1-CG 4.24Å; D260-P281 HydrophobicContact CB-CG 4.24Å; P281-L283 PolarHBondContact O-N 3.3Å; P281-L283 VanDerWaalsContact O-N 3.08Å; P281-Y284 PolarHBondContact O-N 3.23Å; P281-Y284 VanDerWaalsContact O-N 3.16Å; P281-L285 HydrophobicContact CB-CB 4.39Å; P281-L285 HydrophobicContact CB-CD2 4.21Å; P281-L285 WeakPolarHBondContact O-CB 3.22Å; P281-L285 PolarHBondContact O-N 3.16Å |
| 282 | E | 94 | Very high | 96.2 | Very high | 53 Ų | 53 | 41.8 Ų | 41.8 | 25% | 0.248 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -52.5 | -32.7 | -179.9 | -65 | 84.5 | 167.5 | 0 | 0 | 112.8 | F256 R280 Y284 I286 | F256-E282 HydrophobicContact CD1-CG 4.17Å; F256-E282 HydrophobicContact CD2-CG 3.45Å; F256-E282 VanDerWaalsContact CD2-CG 3.45Å; F256-E282 HydrophobicContact CE1-CG 4.25Å; F256-E282 HydrophobicContact CE2-CB 4.46Å; F256-E282 HydrophobicContact CE2-CG 3.53Å; F256-E282 HydrophobicContact CG-CG 3.82Å; F256-E282 HydrophobicContact CZ-CB 4.49Å; F256-E282 HydrophobicContact CZ-CG 3.97Å; R280-E282 WeakPolarHBondContact CB-OE2 3.39Å; R280-E282 PolarHBondContact O-N 3Å; R280-E282 VanDerWaalsContact O-N 3.14Å; E282-Y284 PolarHBondContact O-N 3.09Å; E282-I286 HydrophobicContact CB-CD1 4.38Å; E282-I286 WeakPolarHBondContact O-CD1 3.33Å |
| 283 | L | 95.8 | Very high | 96.2 | Very high | 60 Ų | 60 | 38.9 Ų | 38.9 | 31% | 0.314 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68.3 | -20.5 | -175 | -62.4 | 175.8 | 0 | 0 | 0 | 113.7 | R280 P281 F337 V341 T345 | R280-L283 WeakPolarHBondContact O-CB 3.3Å; R280-L283 PolarHBondContact O-N 3.07Å; R280-L283 VanDerWaalsContact O-N 3.13Å; P281-L283 PolarHBondContact O-N 3.3Å; P281-L283 VanDerWaalsContact O-N 3.08Å; L283-F337 HydrophobicContact CD1-CE2 3.84Å; L283-F337 HydrophobicContact CD1-CZ 4.05Å; L283-V341 HydrophobicContact CD1-CG2 3.88Å; L283-T345 WeakPolarHBondContact O-CG2 3.27Å |
| 284 | Y | 96.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -134.9 | -30 | -178.1 | 64.1 | -93.2 | 0 | 0 | 0 | 113.5 | Y259 F274 V279 P281 E282 W288 L344 | Y259-Y284 HydrophobicContact CE1-CE2 4.41Å; Y259-Y284 VanDerWaalsContact CE1-OH 3.27Å; Y259-Y284 WeakPolarHBondContact CE1-OH 2.99Å; Y259-Y284 PolarHBondContact OH-OH 3.27Å; F274-Y284 HydrophobicContact CD2-CE1 4.45Å; F274-Y284 HydrophobicContact CE2-CE1 4.11Å; V279-Y284 HydrophobicContact CG1-CE1 4.46Å; P281-Y284 PolarHBondContact O-N 3.23Å; P281-Y284 VanDerWaalsContact O-N 3.16Å; E282-Y284 PolarHBondContact O-N 3.09Å; Y284-W288 HydrophobicContact CD2-CD2 4.15Å; Y284-W288 AromaticContact CD2-CE3 3.79Å; Y284-W288 HydrophobicContact CD2-CE3 3.79Å; Y284-W288 AromaticContact CD2-CH2 3.5Å; Y284-W288 HydrophobicContact CD2-CH2 3.5Å; Y284-W288 AromaticContact CD2-CZ2 3.85Å; Y284-W288 HydrophobicContact CD2-CZ2 3.85Å; Y284-W288 AromaticContact CD2-CZ3 3.47Å; Y284-W288 HydrophobicContact CD2-CZ3 3.47Å; Y284-W288 VanDerWaalsContact CD2-CZ3 3.47Å; Y284-W288 HydrophobicContact CE2-CE3 4.13Å; Y284-W288 AromaticContact CE2-CH2 3.91Å; Y284-W288 HydrophobicContact CE2-CH2 3.91Å; Y284-W288 AromaticContact CE2-CZ3 3.59Å; Y284-W288 HydrophobicContact CE2-CZ3 3.59Å; Y284-W288 HydrophobicContact CG-CH2 4.44Å; Y284-L344 HydrophobicContact CD1-CD1 3.66Å; Y284-L344 HydrophobicContact CD2-CD1 4.28Å; Y284-L344 HydrophobicContact CE1-CD1 3.97Å; Y284-L344 HydrophobicContact CG-CB 4.09Å; Y284-L344 HydrophobicContact CG-CD1 3.81Å |
| 285 | L | 95.2 | Very high | 96 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -74.9 | -29.7 | -170.2 | -171.2 | 63.5 | 0 | 0 | 0 | 112.5 | F256 Y259 P281 W288 L289 A321 | F256-L285 HydrophobicContact CD1-CD2 4.04Å; F256-L285 HydrophobicContact CE1-CB 4.4Å; F256-L285 HydrophobicContact CE1-CD2 4.36Å; Y259-L285 HydrophobicContact CD1-CD2 3.5Å; Y259-L285 HydrophobicContact CD2-CD1 4.25Å; Y259-L285 HydrophobicContact CD2-CD2 3.74Å; Y259-L285 HydrophobicContact CE1-CD2 3.97Å; Y259-L285 HydrophobicContact CE2-CD1 4.02Å; Y259-L285 HydrophobicContact CE2-CD2 4.18Å; Y259-L285 HydrophobicContact CG-CD2 3.35Å; P281-L285 HydrophobicContact CB-CB 4.39Å; P281-L285 HydrophobicContact CB-CD2 4.21Å; P281-L285 WeakPolarHBondContact O-CB 3.22Å; P281-L285 PolarHBondContact O-N 3.16Å; L285-W288 HydrophobicContact CD1-CE3 4.1Å; L285-W288 PolarHBondContact O-N 2.93Å; L285-L289 HydrophobicContact CD1-CD1 4.07Å; L285-L289 HydrophobicContact CD1-CD2 4.06Å; L285-L289 HydrophobicContact CD1-CG 3.82Å; L285-L289 HydrophobicContact CD2-CD1 3.86Å; L285-L289 HydrophobicContact CG-CD1 3.6Å; L285-L289 HydrophobicContact CG-CD2 4.5Å; L285-L289 HydrophobicContact CG-CG 3.78Å; L285-L289 WeakPolarHBondContact O-CG 3.34Å; L285-L289 PolarHBondContact O-N 3.13Å; L285-A321 HydrophobicContact CD1-CB 3.7Å |
| 286 | I | 92.6 | Very high | 95.9 | Very high | 60 Ų | 60 | 38.8 Ų | 38.8 | 31% | 0.308 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -52.7 | -61.3 | 178.1 | -71.4 | 172.4 | 0 | 0 | 0 | 109.4 | F256 E282 W288 L289 Y290 | F256-I286 HydrophobicContact CE1-CG1 3.85Å; F256-I286 HydrophobicContact CE2-CG1 4.48Å; F256-I286 HydrophobicContact CZ-CD1 3.87Å; F256-I286 HydrophobicContact CZ-CG1 3.4Å; F256-I286 VanDerWaalsContact CZ-CG1 3.4Å; E282-I286 HydrophobicContact CB-CD1 4.38Å; E282-I286 WeakPolarHBondContact O-CD1 3.33Å; I286-W288 PolarHBondContact O-N 3.09Å; I286-W288 VanDerWaalsContact O-N 3.11Å; I286-L289 PolarHBondContact O-N 3.08Å; I286-L289 VanDerWaalsContact O-N 3.12Å; I286-Y290 HydrophobicContact CG2-CD1 3.71Å; I286-Y290 HydrophobicContact CG2-CE1 4.04Å; I286-Y290 WeakPolarHBondContact O-CD1 3.28Å; I286-Y290 PolarHBondContact O-N 3.14Å; I286-Y290 VanDerWaalsContact O-N 3.07Å |
| 287 | D | 91.5 | Very high | 95.9 | Very high | 38 Ų | 38 | 32.7 Ų | 32.7 | 20% | 0.203 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.1 | -32.7 | -178.3 | -84.4 | -34.8 | 0 | 0 | 0 | 112.8 | Y290 T291 R295 | D287-Y290 WeakPolarHBondContact OD1-CE1 3.33Å; D287-T291 WeakPolarHBondContact O-CB 3.35Å; D287-T291 PolarHBondContact O-OG1 3.04Å; D287-R295 IonicContact OD1-CZ 3.12Å; D287-R295 IonicContact OD1-NH1 2.63Å; D287-R295 PolarHBondContact OD1-NH1 3.43Å; D287-R295 IonicContact OD2-NH1 3.4Å |
| 288 | W | 96.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -74.2 | -44.3 | 179.4 | -64.6 | 3.4 | 0 | 0 | 0 | 112.4 | Y284 L285 I286 L292 F293 S296 A321 V324 L325 L344 L347 | Y284-W288 HydrophobicContact CD2-CD2 4.15Å; Y284-W288 AromaticContact CD2-CE3 3.79Å; Y284-W288 HydrophobicContact CD2-CE3 3.79Å; Y284-W288 AromaticContact CD2-CH2 3.5Å; Y284-W288 HydrophobicContact CD2-CH2 3.5Å; Y284-W288 AromaticContact CD2-CZ2 3.85Å; Y284-W288 HydrophobicContact CD2-CZ2 3.85Å; Y284-W288 AromaticContact CD2-CZ3 3.47Å; Y284-W288 HydrophobicContact CD2-CZ3 3.47Å; Y284-W288 VanDerWaalsContact CD2-CZ3 3.47Å; Y284-W288 HydrophobicContact CE2-CE3 4.13Å; Y284-W288 AromaticContact CE2-CH2 3.91Å; Y284-W288 HydrophobicContact CE2-CH2 3.91Å; Y284-W288 AromaticContact CE2-CZ3 3.59Å; Y284-W288 HydrophobicContact CE2-CZ3 3.59Å; Y284-W288 HydrophobicContact CG-CH2 4.44Å; L285-W288 HydrophobicContact CD1-CE3 4.1Å; L285-W288 PolarHBondContact O-N 2.93Å; I286-W288 PolarHBondContact O-N 3.09Å; I286-W288 VanDerWaalsContact O-N 3.11Å; W288-L292 CarbonylContact O-C 3.48Å; W288-L292 PolarHBondContact O-N 3.31Å; W288-F293 HydrophobicContact CB-CD1 3.92Å; W288-F293 HydrophobicContact CB-CE1 3.59Å; W288-F293 HydrophobicContact CB-CZ 3.94Å; W288-F293 AromaticContact CD2-CE1 3.9Å; W288-F293 HydrophobicContact CD2-CE1 3.9Å; W288-F293 AromaticContact CE3-CE1 3.87Å; W288-F293 HydrophobicContact CE3-CE1 3.87Å; W288-F293 HydrophobicContact CE3-CZ 4.37Å; W288-F293 HydrophobicContact CG-CD1 4.12Å; W288-F293 AromaticContact CG-CE1 3.8Å; W288-F293 HydrophobicContact CG-CE1 3.8Å; W288-F293 PolarHBondContact O-N 3.45Å; W288-S296 VanDerWaalsContact CD1-OG 3.23Å; W288-A321 HydrophobicContact CE3-CB 3.67Å; W288-A321 HydrophobicContact CZ3-CB 3.86Å; W288-V324 HydrophobicContact CH2-CB 4.36Å; W288-V324 HydrophobicContact CH2-CG1 3.88Å; W288-V324 HydrophobicContact CZ2-CG1 4.3Å; W288-V324 HydrophobicContact CZ3-CB 4.45Å; W288-V324 HydrophobicContact CZ3-CG1 4.45Å; W288-L325 HydrophobicContact CH2-CD2 4.12Å; W288-L344 HydrophobicContact CH2-CD2 4Å; W288-L344 HydrophobicContact CZ2-CB 4.12Å; W288-L344 HydrophobicContact CZ2-CD2 4.16Å; W288-L344 WeakPolarHBondContact CZ2-O 3.34Å; W288-L344 PolarHBondContact NE1-O 3.12Å; W288-L347 HydrophobicContact CZ2-CD1 4.04Å; W288-L347 HydrophobicContact CZ2-CD2 4.15Å; W288-L347 HydrophobicContact CZ2-CG 4.3Å |
| 289 | L | 93.7 | Very high | 95.7 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -76.9 | -51.8 | -174.7 | -64.5 | -179.6 | 0 | 0 | 0 | 112.1 | F244 L285 I286 T291 L292 L317 F318 | F244-L289 HydrophobicContact CE1-CD1 4.4Å; F244-L289 HydrophobicContact CE2-CB 4.2Å; F244-L289 HydrophobicContact CE2-CD1 4.07Å; F244-L289 HydrophobicContact CZ-CB 4.27Å; F244-L289 HydrophobicContact CZ-CD1 3.61Å; L285-L289 HydrophobicContact CD1-CD1 4.07Å; L285-L289 HydrophobicContact CD1-CD2 4.06Å; L285-L289 HydrophobicContact CD1-CG 3.82Å; L285-L289 HydrophobicContact CD2-CD1 3.86Å; L285-L289 HydrophobicContact CG-CD1 3.6Å; L285-L289 HydrophobicContact CG-CD2 4.5Å; L285-L289 HydrophobicContact CG-CG 3.78Å; L285-L289 WeakPolarHBondContact O-CG 3.34Å; L285-L289 PolarHBondContact O-N 3.13Å; I286-L289 PolarHBondContact O-N 3.08Å; I286-L289 VanDerWaalsContact O-N 3.12Å; L289-T291 VanDerWaalsContact C-N 3.32Å; L289-T291 PolarHBondContact O-N 2.85Å; L289-L292 PolarHBondContact O-N 3.11Å; L289-L317 HydrophobicContact CD2-CB 3.59Å; L289-L317 HydrophobicContact CD2-CD1 4.42Å; L289-F318 HydrophobicContact CD1-CD1 4.35Å; L289-F318 HydrophobicContact CD1-CE1 3.67Å; L289-F318 HydrophobicContact CD2-CD1 3.9Å; L289-F318 HydrophobicContact CD2-CE1 3.97Å; L289-F318 HydrophobicContact CG-CE1 4.49Å |
| 290 | Y | 92 | Very high | 95.5 | Very high | 25 Ų | 25 | 34.9 Ų | 34.9 | 10% | 0.098 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -72.7 | -28.8 | -170 | 92.3 | -101.3 | 0 | 0 | 0 | 112 | Q210 F245 I286 D287 L292 | Q210-Y290 WeakPolarHBondContact O-CE2 3.49Å; Q210-Y290 PolarHBondContact O-OH 3.27Å; F245-Y290 HydrophobicContact CD1-CD2 4.2Å; F245-Y290 AromaticContact CE1-CD2 3.39Å; F245-Y290 HydrophobicContact CE1-CD2 3.39Å; F245-Y290 AromaticContact CE1-CE2 3.86Å; F245-Y290 HydrophobicContact CE1-CE2 3.86Å; F245-Y290 HydrophobicContact CE1-CG 4.48Å; F245-Y290 HydrophobicContact CE2-CD2 4.48Å; F245-Y290 AromaticContact CZ-CD2 3.58Å; F245-Y290 HydrophobicContact CZ-CD2 3.58Å; F245-Y290 HydrophobicContact CZ-CE2 4.33Å; F245-Y290 VanDerWaalsContact CZ-O 3.29Å; F245-Y290 WeakPolarHBondContact CZ-O 3.39Å; I286-Y290 HydrophobicContact CG2-CD1 3.71Å; I286-Y290 HydrophobicContact CG2-CE1 4.04Å; I286-Y290 WeakPolarHBondContact O-CD1 3.28Å; I286-Y290 PolarHBondContact O-N 3.14Å; I286-Y290 VanDerWaalsContact O-N 3.07Å; D287-Y290 WeakPolarHBondContact OD1-CE1 3.33Å; Y290-L292 VanDerWaalsContact C-N 3.29Å |
| 291 | T | 95.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 4.6 | 170.7 | 75.9 | 0 | 0 | 0 | 0 | 113.2 | D287 L289 F293 A294 R295 | D287-T291 WeakPolarHBondContact O-CB 3.35Å; D287-T291 PolarHBondContact O-OG1 3.04Å; L289-T291 VanDerWaalsContact C-N 3.32Å; L289-T291 PolarHBondContact O-N 2.85Å; T291-F293 PolarHBondContact O-N 3.25Å; T291-A294 WeakPolarHBondContact O-CB 3.3Å; T291-A294 PolarHBondContact O-N 3.35Å; T291-R295 HydrophobicContact CG2-CB 3.97Å; T291-R295 WeakPolarHBondContact OG1-CB 3.19Å; T291-R295 PolarHBondContact OG1-N 3.09Å |
| 292 | L | 97.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 43.7 | -176.4 | -57.3 | 171.7 | 0 | 0 | 0 | 112.1 | V215 L235 L241 W288 L289 Y290 A294 W306 F309 L317 | V215-L292 HydrophobicContact CG1-CD1 4.22Å; V215-L292 HydrophobicContact CG2-CD1 4.43Å; L235-L292 HydrophobicContact CD1-CD1 4.45Å; L235-L292 HydrophobicContact CD2-CD1 3.63Å; L235-L292 HydrophobicContact CG-CD1 4.19Å; L241-L292 HydrophobicContact CD1-CD1 4.07Å; L241-L292 HydrophobicContact CD1-CD2 4.24Å; L241-L292 HydrophobicContact CD1-CG 4.31Å; L241-L292 HydrophobicContact CD2-CD2 3.92Å; L241-L292 HydrophobicContact CD2-CG 4.28Å; L241-L292 HydrophobicContact CG-CD2 4.49Å; W288-L292 CarbonylContact O-C 3.48Å; W288-L292 PolarHBondContact O-N 3.31Å; L289-L292 PolarHBondContact O-N 3.11Å; Y290-L292 VanDerWaalsContact C-N 3.29Å; L292-A294 PolarHBondContact O-N 2.83Å; L292-W306 HydrophobicContact CB-CZ2 3.8Å; L292-W306 HydrophobicContact CD1-CH2 4.07Å; L292-W306 HydrophobicContact CD1-CZ2 3.6Å; L292-W306 HydrophobicContact CG-CZ2 4.35Å; L292-W306 PolarHBondContact O-NE1 3.21Å; L292-F309 HydrophobicContact CD1-CE1 4.14Å; L292-F309 HydrophobicContact CD1-CZ 3.94Å; L292-L317 HydrophobicContact CD2-CD1 3.56Å; L292-L317 HydrophobicContact CD2-CD2 4.03Å; L292-L317 HydrophobicContact CD2-CG 4.44Å |
| 293 | F | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | -1.6 | -174 | -65.8 | -90.3 | 0 | 0 | 0 | 116.4 | W288 T291 R295 S296 L297 V305 L317 T320 A321 | W288-F293 HydrophobicContact CB-CD1 3.92Å; W288-F293 HydrophobicContact CB-CE1 3.59Å; W288-F293 HydrophobicContact CB-CZ 3.94Å; W288-F293 AromaticContact CD2-CE1 3.9Å; W288-F293 HydrophobicContact CD2-CE1 3.9Å; W288-F293 AromaticContact CE3-CE1 3.87Å; W288-F293 HydrophobicContact CE3-CE1 3.87Å; W288-F293 HydrophobicContact CE3-CZ 4.37Å; W288-F293 HydrophobicContact CG-CD1 4.12Å; W288-F293 AromaticContact CG-CE1 3.8Å; W288-F293 HydrophobicContact CG-CE1 3.8Å; W288-F293 PolarHBondContact O-N 3.45Å; T291-F293 PolarHBondContact O-N 3.25Å; F293-R295 PolarHBondContact O-N 3.13Å; F293-R295 VanDerWaalsContact O-N 3.17Å; F293-S296 PolarHBondContact O-N 3.17Å; F293-L297 HydrophobicContact CB-CB 4.32Å; F293-L297 HydrophobicContact CB-CD1 3.66Å; F293-L297 HydrophobicContact CB-CG 3.91Å; F293-L297 HydrophobicContact CD1-CD1 3.6Å; F293-L297 HydrophobicContact CD1-CG 3.89Å; F293-L297 HydrophobicContact CE1-CD1 4.46Å; F293-L297 HydrophobicContact CG-CD1 3.81Å; F293-L297 HydrophobicContact CG-CG 4.3Å; F293-L297 PolarHBondContact O-N 3.37Å; F293-V305 HydrophobicContact CD2-CG1 4.07Å; F293-L317 HydrophobicContact CD2-CD2 4.11Å; F293-L317 HydrophobicContact CE2-CB 4.2Å; F293-L317 HydrophobicContact CE2-CD2 4.06Å; F293-L317 WeakPolarHBondContact CZ-O 3.44Å; F293-T320 HydrophobicContact CD1-CG2 4.2Å; F293-T320 HydrophobicContact CD2-CG2 3.94Å; F293-T320 HydrophobicContact CE1-CG2 3.85Å; F293-T320 HydrophobicContact CE2-CG2 3.6Å; F293-T320 HydrophobicContact CG-CG2 4.23Å; F293-T320 HydrophobicContact CZ-CG2 3.54Å; F293-A321 HydrophobicContact CZ-CB 3.97Å |
| 294 | A | 97.7 | Very high | 96 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -26.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F176 F214 V218 T291 L292 T302 | F176-A294 WeakPolarHBondContact CE1-O 3.49Å; F176-A294 HydrophobicContact CZ-CB 4.1Å; F176-A294 VanDerWaalsContact CZ-O 3.31Å; F176-A294 WeakPolarHBondContact CZ-O 3.49Å; F214-A294 HydrophobicContact CB-CB 3.77Å; V218-A294 HydrophobicContact CG2-CB 3.75Å; T291-A294 WeakPolarHBondContact O-CB 3.3Å; T291-A294 PolarHBondContact O-N 3.35Å; L292-A294 PolarHBondContact O-N 2.83Å; A294-T302 HydrophobicContact CB-CG2 3.76Å |
| 295 | R | 95.8 | Very high | 96.1 | Very high | 102 Ų | 102 | 25.1 Ų | 25.1 | 39% | 0.385 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -30.5 | 172.4 | -177.6 | 178.9 | 175.6 | -171.2 | -1.4 | 113.4 | F214 D287 T291 F293 | F214-R295 HydrophobicContact CD1-CB 4.12Å; F214-R295 HydrophobicContact CD2-CB 4.16Å; F214-R295 HydrophobicContact CD2-CG 4.47Å; F214-R295 HydrophobicContact CE1-CB 4.18Å; F214-R295 HydrophobicContact CE1-CG 4.23Å; F214-R295 HydrophobicContact CE2-CB 4.24Å; F214-R295 HydrophobicContact CE2-CG 4.06Å; F214-R295 HydrophobicContact CG-CB 4.11Å; F214-R295 HydrophobicContact CZ-CB 4.25Å; F214-R295 HydrophobicContact CZ-CG 3.93Å; D287-R295 IonicContact OD1-CZ 3.12Å; D287-R295 IonicContact OD1-NH1 2.63Å; D287-R295 PolarHBondContact OD1-NH1 3.43Å; D287-R295 IonicContact OD2-NH1 3.4Å; T291-R295 HydrophobicContact CG2-CB 3.97Å; T291-R295 WeakPolarHBondContact OG1-CB 3.19Å; T291-R295 PolarHBondContact OG1-N 3.09Å; F293-R295 PolarHBondContact O-N 3.13Å; F293-R295 VanDerWaalsContact O-N 3.17Å |
| 296 | S | 96.3 | Very high | 96.2 | Very high | 24 Ų | 24 | 25.1 Ų | 25.1 | 17% | 0.168 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -22.7 | -163.2 | -58 | 0 | 0 | 0 | 0 | 114.1 | W288 F293 | W288-S296 VanDerWaalsContact CD1-OG 3.23Å; F293-S296 PolarHBondContact O-N 3.17Å |
| 297 | L | 97.2 | Very high | 96.5 | Very high | 8 Ų | 8 | 22.3 Ų | 22.3 | 4% | 0.042 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -113.8 | 151.2 | 178.9 | -62.8 | -178.8 | 0 | 0 | 0 | 111.4 | F293 I301 T302 V305 T320 V324 L347 I351 | F293-L297 HydrophobicContact CB-CB 4.32Å; F293-L297 HydrophobicContact CB-CD1 3.66Å; F293-L297 HydrophobicContact CB-CG 3.91Å; F293-L297 HydrophobicContact CD1-CD1 3.6Å; F293-L297 HydrophobicContact CD1-CG 3.89Å; F293-L297 HydrophobicContact CE1-CD1 4.46Å; F293-L297 HydrophobicContact CG-CD1 3.81Å; F293-L297 HydrophobicContact CG-CG 4.3Å; F293-L297 PolarHBondContact O-N 3.37Å; L297-I301 HydrophobicContact CB-CB 4.48Å; L297-I301 HydrophobicContact CB-CG2 4.28Å; L297-I301 HydrophobicContact CD1-CG2 3.84Å; L297-T302 PolarHBondContact O-OG1 3.01Å; L297-T302 VanDerWaalsContact O-OG1 3.12Å; L297-V305 HydrophobicContact CD1-CG2 4.21Å; L297-T320 HydrophobicContact CD1-CG2 4.34Å; L297-V324 HydrophobicContact CD2-CG2 4.34Å; L297-L347 HydrophobicContact CD2-CD1 3.81Å; L297-I351 HydrophobicContact CD2-CD1 3.56Å |
| 298 | P | 96.3 | Very high | 96.8 | Very high | 43 Ų | 43 | 20.7 Ų | 20.7 | 28% | 0.279 | 10% | 0.098 | S | C | . | . | trans | -55.5 | 142.3 | 171 | -25.3 | 34.6 | 0 | 0 | 0 | 112.1 | E300 I301 T302 E349 | P298-E300 VanDerWaalsContact C-N 3.3Å; P298-E300 PolarHBondContact O-N 3.25Å; P298-E300 VanDerWaalsContact O-N 3.13Å; P298-I301 HydrophobicContact CG-CD1 4.27Å; P298-I301 WeakPolarHBondContact O-CA 3.42Å; P298-I301 WeakPolarHBondContact O-CB 3.42Å; P298-I301 PolarHBondContact O-N 3.35Å; P298-T302 PolarHBondContact O-N 2.81Å; P298-T302 PolarHBondContact O-OG1 3.07Å; P298-E349 VanDerWaalsContact CG-O 3.3Å; P298-E349 WeakPolarHBondContact CG-O 3.17Å | ||
| 299 | L | 96.1 | Very high | 96.8 | Very high | 34 Ų | 34 | 20.6 Ų | 20.6 | 18% | 0.178 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -48.8 | -45.5 | -173.7 | 176.4 | 63.1 | 0 | 0 | 0 | 113.9 | F176 L179 V218 L221 I301 T302 C303 | F176-L299 HydrophobicContact CE1-CB 4.24Å; F176-L299 HydrophobicContact CE1-CD1 4.31Å; F176-L299 HydrophobicContact CE2-CD1 4.3Å; F176-L299 HydrophobicContact CZ-CD1 3.98Å; L179-L299 HydrophobicContact CD1-CD2 3.85Å; V218-L299 HydrophobicContact CG2-CD1 4.19Å; L221-L299 HydrophobicContact CD1-CD1 3.75Å; L221-L299 HydrophobicContact CD1-CD2 3.59Å; L221-L299 HydrophobicContact CD1-CG 4.32Å; L299-I301 VanDerWaalsContact C-N 3.31Å; L299-I301 PolarHBondContact O-N 3.12Å; L299-T302 WeakPolarHBondContact O-CB 3.39Å; L299-T302 PolarHBondContact O-N 2.94Å; L299-C303 PolarHBondContact O-N 3.09Å; L299-C303 PolarHBondContact O-SG 2.8Å; L299-C303 VanDerWaalsContact O-SG 3.38Å |
| 300 | E | 95 | Very high | 96.9 | Very high | 131 Ų | 131 | 21.1 Ų | 21.1 | 61% | 0.612 | 10% | 0.1 | S | C | * | . | H | α-helix | trans | -62 | -37.9 | 179.6 | -68.1 | -60.3 | 151.1 | 0 | 0 | 113 | P298 R304 | P298-E300 VanDerWaalsContact C-N 3.3Å; P298-E300 PolarHBondContact O-N 3.25Å; P298-E300 VanDerWaalsContact O-N 3.13Å; E300-R304 PolarHBondContact O-N 3.18Å |
| 301 | I | 97.8 | Very high | 97.1 | Very high | 7 Ų | 7 | 22 Ų | 22 | 4% | 0.036 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -71.1 | -45 | 175.4 | -63.3 | -178.7 | 0 | 0 | 0 | 109.2 | L297 P298 L299 C303 R304 V305 I351 A353 L356 F357 | L297-I301 HydrophobicContact CB-CB 4.48Å; L297-I301 HydrophobicContact CB-CG2 4.28Å; L297-I301 HydrophobicContact CD1-CG2 3.84Å; P298-I301 HydrophobicContact CG-CD1 4.27Å; P298-I301 WeakPolarHBondContact O-CA 3.42Å; P298-I301 WeakPolarHBondContact O-CB 3.42Å; P298-I301 PolarHBondContact O-N 3.35Å; L299-I301 VanDerWaalsContact C-N 3.31Å; L299-I301 PolarHBondContact O-N 3.12Å; I301-C303 PolarHBondContact O-N 2.84Å; I301-R304 PolarHBondContact O-N 3.37Å; I301-R304 VanDerWaalsContact O-N 3.09Å; I301-V305 HydrophobicContact CG2-CG2 4.31Å; I301-V305 WeakPolarHBondContact O-CG2 3.43Å; I301-V305 PolarHBondContact O-N 3.33Å; I301-I351 HydrophobicContact CD1-CB 3.72Å; I301-I351 HydrophobicContact CD1-CG2 4.05Å; I301-A353 HydrophobicContact CD1-CB 4.1Å; I301-A353 HydrophobicContact CG1-CB 3.88Å; I301-L356 HydrophobicContact CD1-CD2 4.5Å; I301-L356 HydrophobicContact CG2-CD2 3.6Å; I301-F357 HydrophobicContact CG2-CE2 4.17Å; I301-F357 HydrophobicContact CG2-CZ 4.26Å |
| 302 | T | 98 | Very high | 97 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -53 | -51 | 175.2 | -60.4 | 0 | 0 | 0 | 0 | 111 | V218 A294 L297 P298 L299 R304 V305 W306 | V218-T302 HydrophobicContact CG2-CG2 4.05Å; A294-T302 HydrophobicContact CB-CG2 3.76Å; L297-T302 PolarHBondContact O-OG1 3.01Å; L297-T302 VanDerWaalsContact O-OG1 3.12Å; P298-T302 PolarHBondContact O-N 2.81Å; P298-T302 PolarHBondContact O-OG1 3.07Å; L299-T302 WeakPolarHBondContact O-CB 3.39Å; L299-T302 PolarHBondContact O-N 2.94Å; T302-R304 VanDerWaalsContact C-N 3.28Å; T302-R304 PolarHBondContact O-N 3.39Å; T302-V305 WeakPolarHBondContact O-CB 3.4Å; T302-V305 PolarHBondContact O-N 2.86Å; T302-V305 VanDerWaalsContact O-N 3.12Å; T302-W306 WeakPolarHBondContact O-CB 3.37Å; T302-W306 PolarHBondContact O-N 2.83Å |
| 303 | C | 98.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 25 Ų | 25 | 3% | 0.027 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.7 | -38.8 | 177.9 | -68.9 | 0 | 0 | 0 | 0 | 112.4 | W127 L299 I301 W306 D307 | W127-C303 HydrophobicContact CH2-CB 4.36Å; W127-C303 HydrophobicContact CZ2-CB 4.37Å; L299-C303 PolarHBondContact O-N 3.09Å; L299-C303 PolarHBondContact O-SG 2.8Å; L299-C303 VanDerWaalsContact O-SG 3.38Å; I301-C303 PolarHBondContact O-N 2.84Å; C303-W306 WeakPolarHBondContact O-CA 3.37Å; C303-W306 WeakPolarHBondContact O-CB 3.38Å; C303-W306 PolarHBondContact O-N 3.4Å; C303-D307 PolarHBondContact O-N 3.13Å |
| 304 | R | 97.8 | Very high | 96.3 | Very high | 45 Ų | 45 | 26.2 Ų | 26.2 | 17% | 0.17 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -73.4 | -33 | 176.9 | -173.9 | 172.3 | 171.8 | -175.4 | 6.5 | 113 | E115 E300 I301 T302 L308 F357 | E115-R304 PolarHBondContact O-NH2 3.29Å; E115-R304 VanDerWaalsContact O-NH2 3.16Å; E300-R304 PolarHBondContact O-N 3.18Å; I301-R304 PolarHBondContact O-N 3.37Å; I301-R304 VanDerWaalsContact O-N 3.09Å; T302-R304 VanDerWaalsContact C-N 3.28Å; T302-R304 PolarHBondContact O-N 3.39Å; R304-L308 WeakPolarHBondContact O-CG 3.47Å; R304-L308 PolarHBondContact O-N 3.13Å; R304-F357 HydrophobicContact CB-CE1 4.3Å; R304-F357 HydrophobicContact CB-CE2 3.84Å; R304-F357 HydrophobicContact CB-CZ 3.51Å; R304-F357 HydrophobicContact CG-CD1 4.42Å; R304-F357 HydrophobicContact CG-CD2 4.3Å; R304-F357 HydrophobicContact CG-CE1 3.76Å; R304-F357 HydrophobicContact CG-CE2 3.68Å; R304-F357 HydrophobicContact CG-CZ 3.38Å |
| 305 | V | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.4 | -39.8 | 167.8 | 170.9 | 0 | 0 | 0 | 0 | 109.5 | F293 L297 I301 T302 L308 F309 Y316 L317 T320 F357 | F293-V305 HydrophobicContact CD2-CG1 4.07Å; L297-V305 HydrophobicContact CD1-CG2 4.21Å; I301-V305 HydrophobicContact CG2-CG2 4.31Å; I301-V305 WeakPolarHBondContact O-CG2 3.43Å; I301-V305 PolarHBondContact O-N 3.33Å; T302-V305 WeakPolarHBondContact O-CB 3.4Å; T302-V305 PolarHBondContact O-N 2.86Å; T302-V305 VanDerWaalsContact O-N 3.12Å; V305-L308 PolarHBondContact O-N 3.37Å; V305-F309 PolarHBondContact O-N 3.33Å; V305-Y316 HydrophobicContact CG1-CE1 4.45Å; V305-L317 HydrophobicContact CG1-CD2 4.43Å; V305-T320 HydrophobicContact CG1-CG2 3.98Å; V305-T320 HydrophobicContact CG2-CG2 3.68Å; V305-F357 HydrophobicContact CG2-CE1 4.11Å; V305-F357 HydrophobicContact CG2-CZ 3.91Å |
| 306 | W | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.1 | -46.5 | 177.4 | -77.5 | 40.1 | 0 | 0 | 0 | 113.7 | W127 V215 V218 L219 L235 L292 T302 C303 L308 F309 L310 | W127-W306 HydrophobicContact CE3-CE3 4.13Å; W127-W306 HydrophobicContact CH2-CB 4.06Å; W127-W306 HydrophobicContact CH2-CD2 4.45Å; W127-W306 AromaticContact CH2-CE3 3.94Å; W127-W306 HydrophobicContact CH2-CE3 3.94Å; W127-W306 HydrophobicContact CZ2-CB 3.66Å; W127-W306 HydrophobicContact CZ2-CE3 4.46Å; W127-W306 AromaticContact CZ3-CE3 3.76Å; W127-W306 HydrophobicContact CZ3-CE3 3.76Å; W127-W306 HydrophobicContact CZ3-CZ3 4.26Å; V215-W306 HydrophobicContact CB-CH2 4.44Å; V215-W306 HydrophobicContact CG1-CH2 3.81Å; V215-W306 HydrophobicContact CG1-CZ2 4.26Å; V218-W306 HydrophobicContact CB-CE3 4.38Å; V218-W306 HydrophobicContact CB-CH2 3.67Å; V218-W306 HydrophobicContact CB-CZ2 3.85Å; V218-W306 HydrophobicContact CB-CZ3 3.96Å; V218-W306 HydrophobicContact CG1-CD2 3.63Å; V218-W306 HydrophobicContact CG1-CE3 3.5Å; V218-W306 VanDerWaalsContact CG1-CE3 3.5Å; V218-W306 HydrophobicContact CG1-CG 4.38Å; V218-W306 HydrophobicContact CG1-CH2 3.72Å; V218-W306 HydrophobicContact CG1-CZ2 3.86Å; V218-W306 HydrophobicContact CG1-CZ3 3.55Å; V218-W306 HydrophobicContact CG2-CZ2 4.26Å; L219-W306 HydrophobicContact CD2-CH2 4.5Å; L219-W306 HydrophobicContact CD2-CZ3 3.7Å; L219-W306 HydrophobicContact CG-CH2 4.16Å; L219-W306 HydrophobicContact CG-CZ3 3.8Å; L235-W306 HydrophobicContact CD2-CH2 4.17Å; L235-W306 HydrophobicContact CD2-CZ3 4.24Å; L292-W306 HydrophobicContact CB-CZ2 3.8Å; L292-W306 HydrophobicContact CD1-CH2 4.07Å; L292-W306 HydrophobicContact CD1-CZ2 3.6Å; L292-W306 HydrophobicContact CG-CZ2 4.35Å; L292-W306 PolarHBondContact O-NE1 3.21Å; T302-W306 WeakPolarHBondContact O-CB 3.37Å; T302-W306 PolarHBondContact O-N 2.83Å; C303-W306 WeakPolarHBondContact O-CA 3.37Å; C303-W306 WeakPolarHBondContact O-CB 3.38Å; C303-W306 PolarHBondContact O-N 3.4Å; W306-L308 PolarHBondContact O-N 3.15Å; W306-F309 VanDerWaalsContact CA-CE1 3.5Å; W306-F309 HydrophobicContact CB-CD1 4.12Å; W306-F309 HydrophobicContact CB-CE1 3.74Å; W306-F309 AromaticContact CD1-CD1 3.93Å; W306-F309 AromaticContact CD1-CE1 3.57Å; W306-F309 AromaticContact CD2-CE1 3.58Å; W306-F309 HydrophobicContact CD2-CE1 3.58Å; W306-F309 HydrophobicContact CD2-CZ 4.26Å; W306-F309 AromaticContact CE2-CE1 3.95Å; W306-F309 HydrophobicContact CE3-CE1 4.16Å; W306-F309 HydrophobicContact CE3-CZ 4.43Å; W306-F309 AromaticContact CG-CD1 3.99Å; W306-F309 HydrophobicContact CG-CD1 3.99Å; W306-F309 AromaticContact CG-CE1 3.37Å; W306-F309 HydrophobicContact CG-CE1 3.37Å; W306-F309 HydrophobicContact CG-CZ 4.41Å; W306-F309 AromaticContact NE1-CE1 3.91Å; W306-F309 PolarHBondContact O-N 3Å; W306-L310 WeakPolarHBondContact O-CB 3.46Å; W306-L310 VanDerWaalsContact O-CG 3.29Å; W306-L310 WeakPolarHBondContact O-CG 3.08Å; W306-L310 PolarHBondContact O-N 2.97Å |
| 307 | D | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -49.4 | -45.9 | 172.5 | -64.1 | -19.2 | 0 | 0 | 0 | 110.7 | W114 L118 R123 W127 C303 | W114-D307 WeakPolarHBondContact CZ2-O 3.39Å; W114-D307 VanDerWaalsContact NE1-C 3.35Å; W114-D307 PolarHBondContact NE1-O 3.02Å; L118-D307 WeakPolarHBondContact CB-OD2 3.27Å; L118-D307 HydrophobicContact CD1-CB 4.18Å; L118-D307 WeakPolarHBondContact CD1-OD1 3.04Å; L118-D307 HydrophobicContact CG-CB 4.04Å; L118-D307 PolarHBondContact N-OD2 2.53Å; R123-D307 IonicContact NE-OD1 2.8Å; R123-D307 IonicContact NE-OD2 2.65Å; R123-D307 IonicContact NH2-OD2 3.42Å; W127-D307 PolarHBondContact NE1-OD1 3.08Å; C303-D307 PolarHBondContact O-N 3.13Å |
| 308 | L | 97.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -86.5 | -34.9 | -171.8 | -59.6 | 177.2 | 0 | 0 | 0 | 113.7 | W114 R304 V305 W306 L310 R311 D312 Y316 F357 | W114-L308 WeakPolarHBondContact O-CD2 3.48Å; R304-L308 WeakPolarHBondContact O-CG 3.47Å; R304-L308 PolarHBondContact O-N 3.13Å; V305-L308 PolarHBondContact O-N 3.37Å; W306-L308 PolarHBondContact O-N 3.15Å; L308-L310 VanDerWaalsContact C-N 3.34Å; L308-R311 PolarHBondContact O-N 3.37Å; L308-D312 WeakPolarHBondContact O-CB 3.27Å; L308-D312 PolarHBondContact O-N 3.24Å; L308-Y316 HydrophobicContact CB-CD1 3.84Å; L308-Y316 HydrophobicContact CB-CD2 4.2Å; L308-Y316 HydrophobicContact CB-CE1 3.38Å; L308-Y316 HydrophobicContact CB-CE2 3.76Å; L308-Y316 HydrophobicContact CB-CG 4.24Å; L308-Y316 HydrophobicContact CD1-CE1 4.23Å; L308-Y316 HydrophobicContact CD1-CE2 4.28Å; L308-Y316 WeakPolarHBondContact CD1-OH 3.48Å; L308-Y316 HydrophobicContact CG-CE1 4.4Å; L308-F357 HydrophobicContact CD1-CD1 4.01Å; L308-F357 HydrophobicContact CD1-CE1 3.95Å |
| 309 | F | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.4 | -38.6 | 174.7 | 95 | -114.3 | 0 | 0 | 0 | 111.2 | L235 L292 V305 W306 R311 D312 G313 Y316 L317 | L235-F309 HydrophobicContact CD1-CE2 3.94Å; L235-F309 HydrophobicContact CD1-CZ 4.04Å; L292-F309 HydrophobicContact CD1-CE1 4.14Å; L292-F309 HydrophobicContact CD1-CZ 3.94Å; V305-F309 PolarHBondContact O-N 3.33Å; W306-F309 VanDerWaalsContact CA-CE1 3.5Å; W306-F309 HydrophobicContact CB-CD1 4.12Å; W306-F309 HydrophobicContact CB-CE1 3.74Å; W306-F309 AromaticContact CD1-CD1 3.93Å; W306-F309 AromaticContact CD1-CE1 3.57Å; W306-F309 AromaticContact CD2-CE1 3.58Å; W306-F309 HydrophobicContact CD2-CE1 3.58Å; W306-F309 HydrophobicContact CD2-CZ 4.26Å; W306-F309 AromaticContact CE2-CE1 3.95Å; W306-F309 HydrophobicContact CE3-CE1 4.16Å; W306-F309 HydrophobicContact CE3-CZ 4.43Å; W306-F309 AromaticContact CG-CD1 3.99Å; W306-F309 HydrophobicContact CG-CD1 3.99Å; W306-F309 AromaticContact CG-CE1 3.37Å; W306-F309 HydrophobicContact CG-CE1 3.37Å; W306-F309 HydrophobicContact CG-CZ 4.41Å; W306-F309 AromaticContact NE1-CE1 3.91Å; W306-F309 PolarHBondContact O-N 3Å; F309-R311 PolarHBondContact O-N 3.08Å; F309-D312 PolarHBondContact O-N 3.25Å; F309-G313 CarbonylContact O-C 3.51Å; F309-G313 VanDerWaalsContact O-CA 3.27Å; F309-G313 WeakPolarHBondContact O-CA 3.19Å; F309-G313 PolarHBondContact O-N 2.93Å; F309-Y316 HydrophobicContact CB-CD1 3.97Å; F309-Y316 HydrophobicContact CB-CG 4.4Å; F309-L317 HydrophobicContact CB-CD2 4Å; F309-L317 HydrophobicContact CB-CG 4.39Å; F309-L317 HydrophobicContact CD1-CD2 4.17Å; F309-L317 HydrophobicContact CG-CD2 4.16Å |
| 310 | L | 97.1 | Very high | 95.6 | Very high | 12 Ų | 12 | 17.8 Ų | 17.8 | 6% | 0.063 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.5 | -29.2 | 179.2 | -73.7 | 172.4 | 0 | 0 | 0 | 111.9 | W127 A130 I131 L235 W306 L308 | W127-L310 HydrophobicContact CB-CD1 3.78Å; W127-L310 VanDerWaalsContact CD1-CD1 3.46Å; W127-L310 HydrophobicContact CD2-CD1 3.99Å; W127-L310 HydrophobicContact CG-CD1 3.45Å; W127-L310 VanDerWaalsContact CG-CD1 3.45Å; A130-L310 HydrophobicContact CB-CB 3.95Å; I131-L310 HydrophobicContact CD1-CD1 4.4Å; I131-L310 HydrophobicContact CD1-CD2 4.12Å; I131-L310 HydrophobicContact CG1-CD1 4.33Å; I131-L310 HydrophobicContact CG1-CD2 3.42Å; I131-L310 VanDerWaalsContact CG1-CD2 3.42Å; L235-L310 HydrophobicContact CD1-CD2 4.43Å; W306-L310 WeakPolarHBondContact O-CB 3.46Å; W306-L310 VanDerWaalsContact O-CG 3.29Å; W306-L310 WeakPolarHBondContact O-CG 3.08Å; W306-L310 PolarHBondContact O-N 2.97Å; L308-L310 VanDerWaalsContact C-N 3.34Å |
| 311 | R | 95.6 | Very high | 95.7 | Very high | 43 Ų | 43 | 11.6 Ų | 11.6 | 16% | 0.162 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -80.9 | -48.5 | 175.2 | -170.9 | -170.1 | 72.2 | -171.5 | -0.5 | 113.4 | K111 W114 L308 F309 | K111-R311 PolarHBondContact O-NH1 3.43Å; W114-R311 HydrophobicContact CD2-CB 3.94Å; W114-R311 VanDerWaalsContact CD2-CD 3.5Å; W114-R311 HydrophobicContact CD2-CG 3.86Å; W114-R311 HydrophobicContact CE3-CB 4.02Å; W114-R311 VanDerWaalsContact CE3-CD 3.47Å; W114-R311 HydrophobicContact CE3-CG 3.56Å; W114-R311 HydrophobicContact CH2-CB 3.73Å; W114-R311 HydrophobicContact CH2-CG 3.98Å; W114-R311 HydrophobicContact CZ2-CB 3.66Å; W114-R311 HydrophobicContact CZ2-CG 4.28Å; W114-R311 HydrophobicContact CZ3-CB 3.92Å; W114-R311 HydrophobicContact CZ3-CG 3.62Å; L308-R311 PolarHBondContact O-N 3.37Å; F309-R311 PolarHBondContact O-N 3.08Å |
| 312 | D | 92.8 | Very high | 95.7 | Very high | 41 Ų | 41 | 11.2 Ų | 11.2 | 22% | 0.219 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -97.9 | -3.6 | -167.7 | -68.9 | -11.3 | 0 | 0 | 0 | 113.4 | L308 F309 Y316 R364 | L308-D312 WeakPolarHBondContact O-CB 3.27Å; L308-D312 PolarHBondContact O-N 3.24Å; F309-D312 PolarHBondContact O-N 3.25Å; D312-Y316 HydrophobicContact CB-CD2 4.11Å; D312-Y316 HydrophobicContact CB-CG 4.44Å; D312-R364 IonicContact OD2-CZ 3.19Å; D312-R364 IonicContact OD2-NH1 3.55Å; D312-R364 PolarHBondContact OD2-NH1 3.39Å; D312-R364 IonicContact OD2-NH2 3.98Å |
| 313 | G | 91.6 | Very high | 95.7 | Very high | 27 Ų | 27 | 11.2 Ų | 11.2 | 28% | 0.278 | 6% | 0.059 | S | C | . | . | trans | 84 | 177.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | F309 L315 Y316 | F309-G313 CarbonylContact O-C 3.51Å; F309-G313 VanDerWaalsContact O-CA 3.27Å; F309-G313 WeakPolarHBondContact O-CA 3.19Å; F309-G313 PolarHBondContact O-N 2.93Å; G313-L315 PolarHBondContact O-N 3.12Å; G313-L315 VanDerWaalsContact O-N 3.1Å; G313-Y316 VanDerWaalsContact O-CB 3.23Å; G313-Y316 WeakPolarHBondContact O-CB 3.4Å; G313-Y316 PolarHBondContact O-N 3Å | ||
| 314 | D | 89 | Confident | 95.7 | Very high | 25 Ų | 25 | 11.1 Ų | 11.1 | 13% | 0.134 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26.5 | -170 | -60.7 | -2.6 | 0 | 0 | 0 | 113.6 | R238 T240 Y316 L317 F375 | R238-D314 IonicContact NH1-OD1 2.78Å; T240-D314 WeakPolarHBondContact CB-OD2 3.34Å; T240-D314 HydrophobicContact CG2-CB 4.45Å; T240-D314 PolarHBondContact OG1-OD2 2.82Å; D314-Y316 PolarHBondContact O-N 3.41Å; D314-Y316 VanDerWaalsContact O-N 3.13Å; D314-L317 VanDerWaalsContact O-CB 3.26Å; D314-L317 WeakPolarHBondContact O-CB 3.42Å; D314-L317 WeakPolarHBondContact O-CG 3.31Å; D314-L317 PolarHBondContact O-N 3.48Å; D314-F375 HydrophobicContact CB-CZ 4.47Å |
| 315 | L | 88.2 | Confident | 95.7 | Very high | 19 Ų | 19 | 9 Ų | 9 | 10% | 0.099 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -56.7 | -27.6 | 172.8 | -81 | -177.6 | 0 | 0 | 0 | 113.9 | G313 L317 F318 D319 R371 F375 | G313-L315 PolarHBondContact O-N 3.12Å; G313-L315 VanDerWaalsContact O-N 3.1Å; L315-L317 PolarHBondContact O-N 3.3Å; L315-F318 HydrophobicContact CD2-CD2 3.95Å; L315-F318 HydrophobicContact CD2-CE2 4.35Å; L315-F318 WeakPolarHBondContact O-CB 3.37Å; L315-F318 PolarHBondContact O-N 2.82Å; L315-D319 PolarHBondContact O-N 3.38Å; L315-D319 VanDerWaalsContact O-N 3.13Å; L315-R371 HydrophobicContact CD1-CG 3.89Å; L315-F375 HydrophobicContact CD1-CB 3.35Å; L315-F375 HydrophobicContact CD1-CD1 3.92Å; L315-F375 HydrophobicContact CD1-CD2 3.9Å; L315-F375 HydrophobicContact CD1-CG 3.46Å; L315-F375 VanDerWaalsContact CD1-CG 3.46Å; L315-F375 HydrophobicContact CD2-CB 3.81Å; L315-F375 HydrophobicContact CD2-CD2 3.11Å; L315-F375 HydrophobicContact CD2-CE2 3.73Å; L315-F375 HydrophobicContact CD2-CG 3.63Å; L315-F375 HydrophobicContact CG-CB 3.8Å; L315-F375 HydrophobicContact CG-CD1 3.97Å; L315-F375 HydrophobicContact CG-CD2 3.29Å; L315-F375 HydrophobicContact CG-CE1 4.34Å; L315-F375 HydrophobicContact CG-CE2 3.7Å; L315-F375 HydrophobicContact CG-CG 3.41Å; L315-F375 VanDerWaalsContact CG-CG 3.41Å; L315-F375 HydrophobicContact CG-CZ 4.21Å |
| 316 | Y | 93.8 | Very high | 95.7 | Very high | 7 Ų | 7 | 9.1 Ų | 9.1 | 3% | 0.027 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -61.8 | -25 | 177 | -167.7 | -92.5 | 0 | 0 | 0 | 112.2 | V305 L308 F309 D312 G313 D314 F318 D319 T320 I360 | V305-Y316 HydrophobicContact CG1-CE1 4.45Å; L308-Y316 HydrophobicContact CB-CD1 3.84Å; L308-Y316 HydrophobicContact CB-CD2 4.2Å; L308-Y316 HydrophobicContact CB-CE1 3.38Å; L308-Y316 HydrophobicContact CB-CE2 3.76Å; L308-Y316 HydrophobicContact CB-CG 4.24Å; L308-Y316 HydrophobicContact CD1-CE1 4.23Å; L308-Y316 HydrophobicContact CD1-CE2 4.28Å; L308-Y316 WeakPolarHBondContact CD1-OH 3.48Å; L308-Y316 HydrophobicContact CG-CE1 4.4Å; F309-Y316 HydrophobicContact CB-CD1 3.97Å; F309-Y316 HydrophobicContact CB-CG 4.4Å; D312-Y316 HydrophobicContact CB-CD2 4.11Å; D312-Y316 HydrophobicContact CB-CG 4.44Å; G313-Y316 VanDerWaalsContact O-CB 3.23Å; G313-Y316 WeakPolarHBondContact O-CB 3.4Å; G313-Y316 PolarHBondContact O-N 3Å; D314-Y316 PolarHBondContact O-N 3.41Å; D314-Y316 VanDerWaalsContact O-N 3.13Å; Y316-F318 VanDerWaalsContact C-N 3.31Å; Y316-F318 PolarHBondContact O-N 2.95Å; Y316-D319 WeakPolarHBondContact CA-OD2 3.41Å; Y316-D319 HydrophobicContact CD2-CB 4.46Å; Y316-D319 WeakPolarHBondContact O-CB 3.05Å; Y316-D319 PolarHBondContact O-N 3.1Å; Y316-T320 VanDerWaalsContact CE1-OG1 3.28Å; Y316-T320 WeakPolarHBondContact CE1-OG1 3.4Å; Y316-T320 WeakPolarHBondContact O-CB 3.4Å; Y316-T320 PolarHBondContact O-N 2.83Å; Y316-T320 PolarHBondContact O-OG1 3.1Å; Y316-I360 HydrophobicContact CE2-CG2 4.13Å |
| 317 | L | 95 | Very high | 95.7 | Very high | 2 Ų | 2 | 10.9 Ų | 10.9 | 1% | 0.01 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.7 | -34.8 | 173.9 | -57.6 | 173.6 | 0 | 0 | 0 | 111.3 | L289 L292 F293 V305 F309 D314 L315 T320 A321 | L289-L317 HydrophobicContact CD2-CB 3.59Å; L289-L317 HydrophobicContact CD2-CD1 4.42Å; L292-L317 HydrophobicContact CD2-CD1 3.56Å; L292-L317 HydrophobicContact CD2-CD2 4.03Å; L292-L317 HydrophobicContact CD2-CG 4.44Å; F293-L317 HydrophobicContact CD2-CD2 4.11Å; F293-L317 HydrophobicContact CE2-CB 4.2Å; F293-L317 HydrophobicContact CE2-CD2 4.06Å; F293-L317 WeakPolarHBondContact CZ-O 3.44Å; V305-L317 HydrophobicContact CG1-CD2 4.43Å; F309-L317 HydrophobicContact CB-CD2 4Å; F309-L317 HydrophobicContact CB-CG 4.39Å; F309-L317 HydrophobicContact CD1-CD2 4.17Å; F309-L317 HydrophobicContact CG-CD2 4.16Å; D314-L317 VanDerWaalsContact O-CB 3.26Å; D314-L317 WeakPolarHBondContact O-CB 3.42Å; D314-L317 WeakPolarHBondContact O-CG 3.31Å; D314-L317 PolarHBondContact O-N 3.48Å; L315-L317 PolarHBondContact O-N 3.3Å; L317-T320 WeakPolarHBondContact O-CB 3.26Å; L317-T320 PolarHBondContact O-N 3.11Å; L317-A321 PolarHBondContact O-N 2.96Å |
| 318 | F | 94.2 | Very high | 95.7 | Very high | 7 Ų | 7 | 12.5 Ų | 12.5 | 3% | 0.031 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -70.4 | -42.1 | 173.8 | -64.7 | -2.2 | 0 | 0 | 0 | 110.9 | Y255 A258 Y259 Y262 L289 L315 Y316 T320 A321 L322 | Y255-F318 AromaticContact CD1-CZ 3.83Å; Y255-F318 HydrophobicContact CD1-CZ 3.83Å; Y255-F318 HydrophobicContact CG-CZ 4.44Å; A258-F318 HydrophobicContact CB-CE2 4.43Å; Y259-F318 HydrophobicContact CD2-CB 4.09Å; Y259-F318 HydrophobicContact CD2-CD1 4.09Å; Y259-F318 HydrophobicContact CD2-CD2 4.48Å; Y259-F318 AromaticContact CD2-CG 3.98Å; Y259-F318 HydrophobicContact CD2-CG 3.98Å; Y262-F318 HydrophobicContact CD1-CB 3.87Å; Y262-F318 HydrophobicContact CD1-CD2 4.37Å; Y262-F318 HydrophobicContact CE1-CB 3.95Å; L289-F318 HydrophobicContact CD1-CD1 4.35Å; L289-F318 HydrophobicContact CD1-CE1 3.67Å; L289-F318 HydrophobicContact CD2-CD1 3.9Å; L289-F318 HydrophobicContact CD2-CE1 3.97Å; L289-F318 HydrophobicContact CG-CE1 4.49Å; L315-F318 HydrophobicContact CD2-CD2 3.95Å; L315-F318 HydrophobicContact CD2-CE2 4.35Å; L315-F318 WeakPolarHBondContact O-CB 3.37Å; L315-F318 PolarHBondContact O-N 2.82Å; Y316-F318 VanDerWaalsContact C-N 3.31Å; Y316-F318 PolarHBondContact O-N 2.95Å; F318-T320 PolarHBondContact O-N 3.08Å; F318-A321 PolarHBondContact O-N 2.92Å; F318-L322 WeakPolarHBondContact O-CG 3.46Å; F318-L322 PolarHBondContact O-N 2.91Å |
| 319 | D | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -56.8 | -41.6 | 173.5 | -56.8 | -32.5 | 0 | 0 | 0 | 110.5 | Y262 L315 Y316 G323 I360 R371 | Y262-D319 VanDerWaalsContact CE1-OD1 3.25Å; Y262-D319 WeakPolarHBondContact CE1-OD1 3.46Å; Y262-D319 VanDerWaalsContact CZ-OD1 3.28Å; Y262-D319 PolarHBondContact OH-OD1 2.82Å; L315-D319 PolarHBondContact O-N 3.38Å; L315-D319 VanDerWaalsContact O-N 3.13Å; Y316-D319 WeakPolarHBondContact CA-OD2 3.41Å; Y316-D319 HydrophobicContact CD2-CB 4.46Å; Y316-D319 WeakPolarHBondContact O-CB 3.05Å; Y316-D319 PolarHBondContact O-N 3.1Å; D319-G323 PolarHBondContact O-N 3.33Å; D319-I360 HydrophobicContact CB-CG2 3.98Å; D319-R371 IonicContact OD1-NE 3.64Å; D319-R371 PolarHBondContact OD1-NE 2.94Å; D319-R371 VanDerWaalsContact OD1-NE 3.08Å; D319-R371 IonicContact OD2-CZ 2.8Å; D319-R371 VanDerWaalsContact OD2-CZ 3.26Å; D319-R371 IonicContact OD2-NE 3.88Å; D319-R371 PolarHBondContact OD2-NE 3.33Å; D319-R371 VanDerWaalsContact OD2-NE 3.08Å; D319-R371 IonicContact OD2-NH2 3.33Å; D319-R371 PolarHBondContact OD2-NH2 3.44Å |
| 320 | T | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.7 | -49.5 | 177.5 | -58 | 0 | 0 | 0 | 0 | 111.4 | F293 L297 V305 Y316 L317 F318 L322 G323 V324 I360 | F293-T320 HydrophobicContact CD1-CG2 4.2Å; F293-T320 HydrophobicContact CD2-CG2 3.94Å; F293-T320 HydrophobicContact CE1-CG2 3.85Å; F293-T320 HydrophobicContact CE2-CG2 3.6Å; F293-T320 HydrophobicContact CG-CG2 4.23Å; F293-T320 HydrophobicContact CZ-CG2 3.54Å; L297-T320 HydrophobicContact CD1-CG2 4.34Å; V305-T320 HydrophobicContact CG1-CG2 3.98Å; V305-T320 HydrophobicContact CG2-CG2 3.68Å; Y316-T320 VanDerWaalsContact CE1-OG1 3.28Å; Y316-T320 WeakPolarHBondContact CE1-OG1 3.4Å; Y316-T320 WeakPolarHBondContact O-CB 3.4Å; Y316-T320 PolarHBondContact O-N 2.83Å; Y316-T320 PolarHBondContact O-OG1 3.1Å; L317-T320 WeakPolarHBondContact O-CB 3.26Å; L317-T320 PolarHBondContact O-N 3.11Å; F318-T320 PolarHBondContact O-N 3.08Å; T320-L322 PolarHBondContact O-N 3.14Å; T320-G323 WeakPolarHBondContact O-CA 3.25Å; T320-G323 PolarHBondContact O-N 2.93Å; T320-G323 VanDerWaalsContact O-N 3.12Å; T320-V324 WeakPolarHBondContact O-CG2 3.43Å; T320-V324 PolarHBondContact O-N 3.41Å; T320-I360 HydrophobicContact CG2-CD1 4.09Å |
| 321 | A | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.1 | -45.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y259 L285 W288 F293 L317 F318 G323 V324 L325 | Y259-A321 HydrophobicContact CE2-CB 3.64Å; L285-A321 HydrophobicContact CD1-CB 3.7Å; W288-A321 HydrophobicContact CE3-CB 3.67Å; W288-A321 HydrophobicContact CZ3-CB 3.86Å; F293-A321 HydrophobicContact CZ-CB 3.97Å; L317-A321 PolarHBondContact O-N 2.96Å; F318-A321 PolarHBondContact O-N 2.92Å; A321-G323 VanDerWaalsContact C-N 3.33Å; A321-G323 PolarHBondContact O-N 2.94Å; A321-V324 WeakPolarHBondContact O-CB 3.38Å; A321-V324 PolarHBondContact O-N 3.39Å; A321-L325 WeakPolarHBondContact O-CG 3.39Å; A321-L325 PolarHBondContact O-N 3.28Å |
| 322 | L | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.9 | -33.3 | 176.1 | -67.6 | 175.5 | 0 | 0 | 0 | 112.6 | Y259 Y262 F263 L267 F318 T320 V324 L325 C326 V363 | Y259-L322 HydrophobicContact CE2-CD2 4Å; Y259-L322 HydrophobicContact CE2-CG 3.97Å; Y262-L322 HydrophobicContact CD1-CD1 3.63Å; Y262-L322 HydrophobicContact CD2-CD1 3.46Å; Y262-L322 VanDerWaalsContact CD2-CD1 3.46Å; Y262-L322 HydrophobicContact CE1-CD1 3.65Å; Y262-L322 HydrophobicContact CE2-CD1 3.34Å; Y262-L322 HydrophobicContact CG-CD1 3.55Å; F263-L322 HydrophobicContact CB-CD2 3.74Å; F263-L322 HydrophobicContact CD2-CD2 3.72Å; F263-L322 HydrophobicContact CG-CD2 3.98Å; L267-L322 HydrophobicContact CD1-CD2 4.48Å; F318-L322 WeakPolarHBondContact O-CG 3.46Å; F318-L322 PolarHBondContact O-N 2.91Å; T320-L322 PolarHBondContact O-N 3.14Å; L322-V324 VanDerWaalsContact C-N 3.34Å; L322-L325 HydrophobicContact CD2-CD1 4.34Å; L322-L325 PolarHBondContact O-N 3.16Å; L322-C326 VanDerWaalsContact O-CB 3.23Å; L322-C326 WeakPolarHBondContact O-CB 3.23Å; L322-C326 PolarHBondContact O-N 3.31Å; L322-V363 HydrophobicContact CB-CB 4.21Å; L322-V363 HydrophobicContact CB-CG1 4.34Å; L322-V363 HydrophobicContact CB-CG2 3.93Å |
| 323 | G | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.5 | -40.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D319 T320 A321 C326 T327 | D319-G323 PolarHBondContact O-N 3.33Å; T320-G323 WeakPolarHBondContact O-CA 3.25Å; T320-G323 PolarHBondContact O-N 2.93Å; T320-G323 VanDerWaalsContact O-N 3.12Å; A321-G323 VanDerWaalsContact C-N 3.33Å; A321-G323 PolarHBondContact O-N 2.94Å; G323-C326 PolarHBondContact O-N 3.18Å; G323-T327 WeakPolarHBondContact O-CB 3.47Å; G323-T327 PolarHBondContact O-N 3.48Å; G323-T327 PolarHBondContact O-OG1 3.01Å |
| 324 | V | 98.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.6 | -50.8 | 172.6 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | W288 L297 T320 A321 L322 C326 T327 Y328 L347 L356 | W288-V324 HydrophobicContact CH2-CB 4.36Å; W288-V324 HydrophobicContact CH2-CG1 3.88Å; W288-V324 HydrophobicContact CZ2-CG1 4.3Å; W288-V324 HydrophobicContact CZ3-CB 4.45Å; W288-V324 HydrophobicContact CZ3-CG1 4.45Å; L297-V324 HydrophobicContact CD2-CG2 4.34Å; T320-V324 WeakPolarHBondContact O-CG2 3.43Å; T320-V324 PolarHBondContact O-N 3.41Å; A321-V324 WeakPolarHBondContact O-CB 3.38Å; A321-V324 PolarHBondContact O-N 3.39Å; L322-V324 VanDerWaalsContact C-N 3.34Å; V324-C326 VanDerWaalsContact C-N 3.32Å; V324-C326 PolarHBondContact O-N 2.94Å; V324-T327 WeakPolarHBondContact O-CB 3.26Å; V324-T327 PolarHBondContact O-N 3.41Å; V324-T327 VanDerWaalsContact O-N 3.12Å; V324-Y328 HydrophobicContact CG1-CD2 4.23Å; V324-Y328 HydrophobicContact CG1-CE2 4.4Å; V324-Y328 WeakPolarHBondContact O-CD2 3.43Å; V324-Y328 PolarHBondContact O-N 2.88Å; V324-L347 HydrophobicContact CG1-CD1 3.83Å; V324-L347 HydrophobicContact CG1-CD2 3.79Å; V324-L347 HydrophobicContact CG1-CG 4.5Å; V324-L356 HydrophobicContact CB-CD1 4.49Å; V324-L356 HydrophobicContact CG2-CD1 3.84Å |
| 325 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.8 | -43.5 | 177.6 | -65.8 | -173 | 0 | 0 | 0 | 112.2 | Y259 F263 L267 L270 F274 W288 A321 L322 T327 Y328 E329 L332 L344 | Y259-L325 VanDerWaalsContact OH-CD1 3.27Å; Y259-L325 WeakPolarHBondContact OH-CD1 3.27Å; F263-L325 HydrophobicContact CD2-CD1 4.07Å; F263-L325 HydrophobicContact CE1-CD1 4.27Å; F263-L325 HydrophobicContact CE2-CD1 3.76Å; F263-L325 HydrophobicContact CG-CD1 4.48Å; F263-L325 HydrophobicContact CZ-CD1 3.86Å; L267-L325 HydrophobicContact CD1-CB 3.81Å; L270-L325 HydrophobicContact CD2-CB 3.93Å; F274-L325 HydrophobicContact CE2-CD2 4.35Å; F274-L325 HydrophobicContact CZ-CD2 4.33Å; W288-L325 HydrophobicContact CH2-CD2 4.12Å; A321-L325 WeakPolarHBondContact O-CG 3.39Å; A321-L325 PolarHBondContact O-N 3.28Å; L322-L325 HydrophobicContact CD2-CD1 4.34Å; L322-L325 PolarHBondContact O-N 3.16Å; L325-T327 VanDerWaalsContact C-N 3.3Å; L325-T327 PolarHBondContact O-N 2.98Å; L325-Y328 CarbonylContact O-C 3.48Å; L325-Y328 PolarHBondContact O-N 3.19Å; L325-E329 WeakPolarHBondContact O-CA 3.13Å; L325-E329 PolarHBondContact O-N 3.45Å; L325-L332 HydrophobicContact CD2-CD1 3.97Å; L325-L344 HydrophobicContact CD2-CD1 3.97Å; L325-L344 HydrophobicContact CD2-CD2 3.65Å |
| 326 | C | 98 | Very high | 97.5 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 3% | 0.027 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.5 | -33.2 | 177.6 | -170.5 | 0 | 0 | 0 | 0 | 112.4 | L267 L322 G323 V324 Y328 R359 V363 | L267-C326 HydrophobicContact CD1-CB 4.06Å; L267-C326 HydrophobicContact CD2-CB 3.91Å; L322-C326 VanDerWaalsContact O-CB 3.23Å; L322-C326 WeakPolarHBondContact O-CB 3.23Å; L322-C326 PolarHBondContact O-N 3.31Å; G323-C326 PolarHBondContact O-N 3.18Å; V324-C326 VanDerWaalsContact C-N 3.32Å; V324-C326 PolarHBondContact O-N 2.94Å; C326-Y328 VanDerWaalsContact C-N 3.27Å; C326-Y328 PolarHBondContact O-N 2.9Å; C326-R359 HydrophobicContact CB-CB 4.32Å; C326-V363 HydrophobicContact CB-CG1 3.77Å |
| 327 | T | 98.2 | Very high | 97.7 | Very high | 37 Ų | 37 | 30.7 Ų | 30.7 | 23% | 0.227 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.6 | -35.2 | 176 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | G323 V324 L325 | G323-T327 WeakPolarHBondContact O-CB 3.47Å; G323-T327 PolarHBondContact O-N 3.48Å; G323-T327 PolarHBondContact O-OG1 3.01Å; V324-T327 WeakPolarHBondContact O-CB 3.26Å; V324-T327 PolarHBondContact O-N 3.41Å; V324-T327 VanDerWaalsContact O-N 3.12Å; L325-T327 VanDerWaalsContact C-N 3.3Å; L325-T327 PolarHBondContact O-N 2.98Å |
| 328 | Y | 98.1 | Very high | 97.9 | Very high | 34 Ų | 34 | 36.1 Ų | 36.1 | 13% | 0.133 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 13.3 | -177.3 | -61.8 | -67.9 | 0 | 0 | 0 | 114 | V324 L325 C326 S330 T331 L332 F343 P348 | V324-Y328 HydrophobicContact CG1-CD2 4.23Å; V324-Y328 HydrophobicContact CG1-CE2 4.4Å; V324-Y328 WeakPolarHBondContact O-CD2 3.43Å; V324-Y328 PolarHBondContact O-N 2.88Å; L325-Y328 CarbonylContact O-C 3.48Å; L325-Y328 PolarHBondContact O-N 3.19Å; C326-Y328 VanDerWaalsContact C-N 3.27Å; C326-Y328 PolarHBondContact O-N 2.9Å; Y328-S330 PolarHBondContact O-N 2.77Å; Y328-T331 WeakPolarHBondContact O-CA 3.42Å; Y328-T331 WeakPolarHBondContact O-CB 3.49Å; Y328-T331 PolarHBondContact O-N 2.96Å; Y328-L332 WeakPolarHBondContact O-CG 3.27Å; Y328-L332 PolarHBondContact O-N 3.4Å; Y328-F343 HydrophobicContact CD1-CE1 4.17Å; Y328-F343 AromaticContact CD1-CZ 3.66Å; Y328-F343 HydrophobicContact CD1-CZ 3.66Å; Y328-F343 AromaticContact CD2-CE1 3.88Å; Y328-F343 HydrophobicContact CD2-CE1 3.88Å; Y328-F343 HydrophobicContact CD2-CZ 4.1Å; Y328-F343 HydrophobicContact CE1-CZ 4Å; Y328-F343 HydrophobicContact CE2-CE1 4.46Å; Y328-F343 HydrophobicContact CE2-CZ 4.4Å; Y328-F343 AromaticContact CG-CE1 3.71Å; Y328-F343 HydrophobicContact CG-CE1 3.71Å; Y328-F343 AromaticContact CG-CZ 3.71Å; Y328-F343 HydrophobicContact CG-CZ 3.71Å; Y328-P348 HydrophobicContact CE1-CG 4.13Å |
| 329 | E | 98.2 | Very high | 98.1 | Very high | 39 Ų | 39 | 42.7 Ų | 42.7 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -53 | -50.2 | -171.4 | 179.7 | 174.7 | -170.7 | 0 | 0 | 112.5 | L270 L325 T331 L332 L333 | L270-E329 HydrophobicContact CB-CG 4.36Å; L270-E329 HydrophobicContact CD2-CB 4.5Å; L270-E329 HydrophobicContact CD2-CG 4.36Å; L325-E329 WeakPolarHBondContact O-CA 3.13Å; L325-E329 PolarHBondContact O-N 3.45Å; E329-T331 VanDerWaalsContact C-N 3.26Å; E329-T331 PolarHBondContact O-N 3.31Å; E329-L332 PolarHBondContact O-N 3.19Å; E329-L333 HydrophobicContact CG-CD1 4.06Å; E329-L333 VanDerWaalsContact O-CG 3.3Å; E329-L333 WeakPolarHBondContact O-CG 3.36Å; E329-L333 PolarHBondContact O-N 3.33Å |
| 330 | S | 98 | Very high | 98.2 | Very high | 101 Ų | 101 | 42.7 Ų | 42.7 | 71% | 0.706 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -61.7 | -34.2 | 179.5 | -54.5 | 0 | 0 | 0 | 0 | 113 | Y328 T334 | Y328-S330 PolarHBondContact O-N 2.77Å; S330-T334 WeakPolarHBondContact O-CG2 3.25Å |
| 331 | T | 98.1 | Very high | 98.2 | Very high | 63 Ų | 63 | 44.2 Ų | 44.2 | 39% | 0.387 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -73.3 | -47.3 | 177.3 | -56.8 | 0 | 0 | 0 | 0 | 110.5 | Y328 E329 L333 T334 M335 | Y328-T331 WeakPolarHBondContact O-CA 3.42Å; Y328-T331 WeakPolarHBondContact O-CB 3.49Å; Y328-T331 PolarHBondContact O-N 2.96Å; E329-T331 VanDerWaalsContact C-N 3.26Å; E329-T331 PolarHBondContact O-N 3.31Å; T331-L333 VanDerWaalsContact C-N 3.32Å; T331-L333 PolarHBondContact O-N 2.79Å; T331-T334 PolarHBondContact O-N 2.89Å; T331-T334 VanDerWaalsContact O-N 3.07Å; T331-T334 PolarHBondContact O-OG1 3.4Å; T331-M335 HydrophobicContact CG2-CE 3.6Å; T331-M335 HydrophobicContact CG2-SD 4.42Å |
| 332 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.1 | -36.2 | -177.7 | -68.5 | 167.8 | 0 | 0 | 0 | 112.5 | L270 H273 F274 L325 Y328 E329 T334 M335 V340 F343 L344 | L270-L332 HydrophobicContact CD1-CB 3.68Å; L270-L332 HydrophobicContact CD1-CD1 4.46Å; L270-L332 HydrophobicContact CD2-CD1 4.06Å; H273-L332 PolarHBondContact NE2-O 2.92Å; F274-L332 HydrophobicContact CE1-CB 4.38Å; F274-L332 HydrophobicContact CZ-CD1 4.33Å; L325-L332 HydrophobicContact CD2-CD1 3.97Å; Y328-L332 WeakPolarHBondContact O-CG 3.27Å; Y328-L332 PolarHBondContact O-N 3.4Å; E329-L332 PolarHBondContact O-N 3.19Å; L332-T334 PolarHBondContact O-N 3.39Å; L332-T334 VanDerWaalsContact O-N 3.11Å; L332-M335 HydrophobicContact CD2-SD 4.11Å; L332-M335 WeakPolarHBondContact O-CB 3.46Å; L332-M335 PolarHBondContact O-N 3.26Å; L332-M335 VanDerWaalsContact O-N 3.07Å; L332-V340 HydrophobicContact CD2-CG1 4.42Å; L332-V340 HydrophobicContact CD2-CG2 4.49Å; L332-F343 HydrophobicContact CD2-CD1 3.8Å; L332-F343 HydrophobicContact CD2-CE1 4.31Å; L332-L344 HydrophobicContact CD1-CD2 4.27Å; L332-L344 HydrophobicContact CD2-CD2 3.97Å; L332-L344 HydrophobicContact CD2-CG 4.26Å |
| 333 | L | 98.5 | Very high | 98.3 | Very high | 68 Ų | 68 | 52.6 Ų | 52.6 | 36% | 0.356 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.3 | 175.6 | -74.6 | 170 | 0 | 0 | 0 | 113.9 | L270 H273 E329 T331 | L270-L333 HydrophobicContact CD1-CD2 4Å; L270-L333 HydrophobicContact CD1-CG 4.01Å; H273-L333 HydrophobicContact CB-CD2 3.85Å; E329-L333 HydrophobicContact CG-CD1 4.06Å; E329-L333 VanDerWaalsContact O-CG 3.3Å; E329-L333 WeakPolarHBondContact O-CG 3.36Å; E329-L333 PolarHBondContact O-N 3.33Å; T331-L333 VanDerWaalsContact C-N 3.32Å; T331-L333 PolarHBondContact O-N 2.79Å |
| 334 | T | 98.4 | Very high | 98.3 | Very high | 111 Ų | 111 | 52.6 Ų | 52.6 | 68% | 0.681 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -4.6 | 177.9 | 70.2 | 0 | 0 | 0 | 0 | 113.6 | S330 T331 L332 | S330-T334 WeakPolarHBondContact O-CG2 3.25Å; T331-T334 PolarHBondContact O-N 2.89Å; T331-T334 VanDerWaalsContact O-N 3.07Å; T331-T334 PolarHBondContact O-OG1 3.4Å; L332-T334 PolarHBondContact O-N 3.39Å; L332-T334 VanDerWaalsContact O-N 3.11Å |
| 335 | M | 98.6 | Very high | 98.1 | Very high | 33 Ų | 33 | 55.8 Ų | 55.8 | 16% | 0.163 | 29% | 0.293 | C | S | . | . | trans | -96.2 | 149 | -174.5 | -70.6 | 174.9 | 167.2 | 0 | 0 | 111.2 | H273 L277 T331 L332 R339 V340 F343 | H273-M335 PolarHBondContact NE2-O 2.93Å; L277-M335 WeakPolarHBondContact CD1-O 3.08Å; T331-M335 HydrophobicContact CG2-CE 3.6Å; T331-M335 HydrophobicContact CG2-SD 4.42Å; L332-M335 HydrophobicContact CD2-SD 4.11Å; L332-M335 WeakPolarHBondContact O-CB 3.46Å; L332-M335 PolarHBondContact O-N 3.26Å; L332-M335 VanDerWaalsContact O-N 3.07Å; M335-R339 HydrophobicContact CB-CB 3.78Å; M335-R339 HydrophobicContact CG-CB 3.84Å; M335-R339 HydrophobicContact SD-CB 4.23Å; M335-V340 HydrophobicContact CB-CG2 3.56Å; M335-F343 HydrophobicContact CE-CB 4.22Å; M335-F343 HydrophobicContact CE-CD2 3.86Å; M335-F343 HydrophobicContact CE-CG 4.11Å; M335-F343 HydrophobicContact SD-CB 4.09Å; M335-F343 HydrophobicContact SD-CG 4.28Å | ||
| 336 | D | 98.2 | Very high | 98 | Very high | 69 Ų | 69 | 65 Ų | 65 | 37% | 0.369 | 33% | 0.328 | S | S | . | . | trans | -85 | 178.7 | 165.6 | 54.5 | 20.7 | 0 | 0 | 0 | 110.6 | D338 R339 V340 | D336-D338 PolarHBondContact O-N 3.24Å; D336-R339 PolarHBondContact O-N 3.41Å; D336-R339 VanDerWaalsContact OD1-CB 3.23Å; D336-R339 WeakPolarHBondContact OD1-CB 3.47Å; D336-R339 WeakPolarHBondContact OD1-CD 3.09Å; D336-R339 WeakPolarHBondContact OD1-CG 3.47Å; D336-R339 PolarHBondContact OD1-N 2.79Å; D336-R339 VanDerWaalsContact OD1-N 3.09Å; D336-R339 IonicContact OD1-NE 3.25Å; D336-R339 IonicContact OD2-NE 2.71Å; D336-V340 WeakPolarHBondContact O-CG2 3.48Å; D336-V340 PolarHBondContact O-N 2.97Å | ||
| 337 | F | 98.4 | Very high | 97.9 | Very high | 75 Ų | 75 | 65.6 Ų | 65.6 | 33% | 0.329 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -50.6 | -55 | -177.8 | 173.4 | -94.1 | 0 | 0 | 0 | 112.6 | L277 V279 L283 R339 V340 V341 | L277-F337 VanDerWaalsContact O-CD2 3.25Å; L277-F337 WeakPolarHBondContact O-CD2 3.1Å; V279-F337 HydrophobicContact CG2-CD2 3.62Å; V279-F337 HydrophobicContact CG2-CE2 4.23Å; V279-F337 HydrophobicContact CG2-CG 4.46Å; L283-F337 HydrophobicContact CD1-CE2 3.84Å; L283-F337 HydrophobicContact CD1-CZ 4.05Å; F337-R339 VanDerWaalsContact C-N 3.35Å; F337-R339 PolarHBondContact O-N 3.46Å; F337-V340 PolarHBondContact O-N 3.07Å; F337-V341 HydrophobicContact CD2-CG2 4.34Å; F337-V341 HydrophobicContact CE1-CG2 4.22Å; F337-V341 HydrophobicContact CE2-CG2 3.99Å; F337-V341 HydrophobicContact CZ-CG2 3.92Å; F337-V341 WeakPolarHBondContact O-CG2 3.4Å; F337-V341 PolarHBondContact O-N 2.9Å |
| 338 | D | 98.2 | Very high | 97.7 | Very high | 117 Ų | 117 | 65.9 Ų | 65.9 | 63% | 0.626 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.3 | -43.1 | -175.1 | -65.1 | -50.2 | 0 | 0 | 0 | 111.8 | D336 V341 Q342 | D336-D338 PolarHBondContact O-N 3.24Å; D338-V341 PolarHBondContact O-N 3.46Å; D338-Q342 VanDerWaalsContact O-CB 3.24Å; D338-Q342 WeakPolarHBondContact O-CB 3.43Å; D338-Q342 PolarHBondContact O-N 3.14Å |
| 339 | R | 98.4 | Very high | 97.4 | Very high | 145 Ų | 145 | 72 Ų | 72 | 55% | 0.547 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68 | -38.7 | 178.8 | -69.9 | 173.3 | -171.1 | -168.8 | 2.3 | 112.2 | M335 D336 F337 F343 | M335-R339 HydrophobicContact CB-CB 3.78Å; M335-R339 HydrophobicContact CG-CB 3.84Å; M335-R339 HydrophobicContact SD-CB 4.23Å; D336-R339 PolarHBondContact O-N 3.41Å; D336-R339 VanDerWaalsContact OD1-CB 3.23Å; D336-R339 WeakPolarHBondContact OD1-CB 3.47Å; D336-R339 WeakPolarHBondContact OD1-CD 3.09Å; D336-R339 WeakPolarHBondContact OD1-CG 3.47Å; D336-R339 PolarHBondContact OD1-N 2.79Å; D336-R339 VanDerWaalsContact OD1-N 3.09Å; D336-R339 IonicContact OD1-NE 3.25Å; D336-R339 IonicContact OD2-NE 2.71Å; F337-R339 VanDerWaalsContact C-N 3.35Å; F337-R339 PolarHBondContact O-N 3.46Å; R339-F343 WeakPolarHBondContact O-CB 3.36Å; R339-F343 PolarHBondContact O-N 3.46Å |
| 340 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.1 | -51.4 | 175.8 | 171.4 | 0 | 0 | 0 | 0 | 109.9 | F274 L277 V279 L332 M335 D336 F337 Q342 F343 L344 | F274-V340 HydrophobicContact CE1-CG1 3.83Å; F274-V340 HydrophobicContact CE1-CG2 4.29Å; F274-V340 HydrophobicContact CE2-CG1 4.12Å; F274-V340 HydrophobicContact CZ-CG1 3.59Å; L277-V340 HydrophobicContact CD1-CG2 4.35Å; V279-V340 HydrophobicContact CB-CG1 4.43Å; V279-V340 HydrophobicContact CG1-CG1 3.78Å; V279-V340 HydrophobicContact CG2-CB 4.17Å; V279-V340 HydrophobicContact CG2-CG1 4Å; L332-V340 HydrophobicContact CD2-CG1 4.42Å; L332-V340 HydrophobicContact CD2-CG2 4.49Å; M335-V340 HydrophobicContact CB-CG2 3.56Å; D336-V340 WeakPolarHBondContact O-CG2 3.48Å; D336-V340 PolarHBondContact O-N 2.97Å; F337-V340 PolarHBondContact O-N 3.07Å; V340-Q342 PolarHBondContact O-N 2.98Å; V340-F343 PolarHBondContact O-N 2.75Å; V340-L344 HydrophobicContact CG1-CD1 3.72Å; V340-L344 HydrophobicContact CG1-CG 4.23Å; V340-L344 WeakPolarHBondContact O-CB 3.41Å; V340-L344 WeakPolarHBondContact O-CG 3.39Å; V340-L344 PolarHBondContact O-N 3.45Å |
| 341 | V | 98.1 | Very high | 97 | Very high | 32 Ų | 32 | 77.1 Ų | 77.1 | 19% | 0.194 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.7 | -46.7 | -178.7 | 175 | 0 | 0 | 0 | 0 | 110.7 | L283 F337 D338 F343 L344 T345 | L283-V341 HydrophobicContact CD1-CG2 3.88Å; F337-V341 HydrophobicContact CD2-CG2 4.34Å; F337-V341 HydrophobicContact CE1-CG2 4.22Å; F337-V341 HydrophobicContact CE2-CG2 3.99Å; F337-V341 HydrophobicContact CZ-CG2 3.92Å; F337-V341 WeakPolarHBondContact O-CG2 3.4Å; F337-V341 PolarHBondContact O-N 2.9Å; D338-V341 PolarHBondContact O-N 3.46Å; V341-F343 VanDerWaalsContact C-N 3.32Å; V341-F343 PolarHBondContact O-N 3.13Å; V341-L344 PolarHBondContact O-N 3.47Å; V341-T345 HydrophobicContact CG1-CG2 4.24Å; V341-T345 WeakPolarHBondContact O-CB 3.5Å; V341-T345 VanDerWaalsContact O-CG2 3.23Å; V341-T345 WeakPolarHBondContact O-CG2 3.38Å; V341-T345 PolarHBondContact O-N 2.9Å; V341-T345 PolarHBondContact O-OG1 3.41Å |
| 342 | Q | 97.8 | Very high | 96.9 | Very high | 140 Ų | 140 | 79 Ų | 79 | 65% | 0.654 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.5 | -41.2 | 177.2 | -173.7 | -179.1 | 27.3 | 0 | 0 | 112.3 | D338 V340 T345 R346 | D338-Q342 VanDerWaalsContact O-CB 3.24Å; D338-Q342 WeakPolarHBondContact O-CB 3.43Å; D338-Q342 PolarHBondContact O-N 3.14Å; V340-Q342 PolarHBondContact O-N 2.98Å; Q342-T345 PolarHBondContact O-OG1 3.42Å; Q342-R346 PolarHBondContact O-N 2.88Å |
| 343 | F | 98.1 | Very high | 96.8 | Very high | 36 Ų | 36 | 80.5 Ų | 80.5 | 16% | 0.158 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -69.5 | -43.7 | -179.3 | -176.8 | -88.5 | 0 | 0 | 0 | 112.2 | Y328 L332 M335 R339 V340 V341 R346 L347 P348 | Y328-F343 HydrophobicContact CD1-CE1 4.17Å; Y328-F343 AromaticContact CD1-CZ 3.66Å; Y328-F343 HydrophobicContact CD1-CZ 3.66Å; Y328-F343 AromaticContact CD2-CE1 3.88Å; Y328-F343 HydrophobicContact CD2-CE1 3.88Å; Y328-F343 HydrophobicContact CD2-CZ 4.1Å; Y328-F343 HydrophobicContact CE1-CZ 4Å; Y328-F343 HydrophobicContact CE2-CE1 4.46Å; Y328-F343 HydrophobicContact CE2-CZ 4.4Å; Y328-F343 AromaticContact CG-CE1 3.71Å; Y328-F343 HydrophobicContact CG-CE1 3.71Å; Y328-F343 AromaticContact CG-CZ 3.71Å; Y328-F343 HydrophobicContact CG-CZ 3.71Å; L332-F343 HydrophobicContact CD2-CD1 3.8Å; L332-F343 HydrophobicContact CD2-CE1 4.31Å; M335-F343 HydrophobicContact CE-CB 4.22Å; M335-F343 HydrophobicContact CE-CD2 3.86Å; M335-F343 HydrophobicContact CE-CG 4.11Å; M335-F343 HydrophobicContact SD-CB 4.09Å; M335-F343 HydrophobicContact SD-CG 4.28Å; R339-F343 WeakPolarHBondContact O-CB 3.36Å; R339-F343 PolarHBondContact O-N 3.46Å; V340-F343 PolarHBondContact O-N 2.75Å; V341-F343 VanDerWaalsContact C-N 3.32Å; V341-F343 PolarHBondContact O-N 3.13Å; F343-R346 CarbonylContact O-C 3.57Å; F343-R346 PolarHBondContact O-N 3.25Å; F343-R346 VanDerWaalsContact O-O 3.09Å; F343-L347 HydrophobicContact CE1-CD2 4.27Å; F343-L347 PolarHBondContact O-N 2.96Å; F343-P348 HydrophobicContact CE2-CG 3.96Å; F343-P348 HydrophobicContact CZ-CG 3.87Å |
| 344 | L | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -75.8 | -30.8 | -177.1 | -64.2 | -178.7 | 0 | 0 | 0 | 113.1 | F274 Y284 W288 L325 L332 V340 V341 R346 L347 | F274-L344 HydrophobicContact CE2-CD1 3.81Å; F274-L344 HydrophobicContact CZ-CD1 3.87Å; Y284-L344 HydrophobicContact CD1-CD1 3.66Å; Y284-L344 HydrophobicContact CD2-CD1 4.28Å; Y284-L344 HydrophobicContact CE1-CD1 3.97Å; Y284-L344 HydrophobicContact CG-CB 4.09Å; Y284-L344 HydrophobicContact CG-CD1 3.81Å; W288-L344 HydrophobicContact CH2-CD2 4Å; W288-L344 HydrophobicContact CZ2-CB 4.12Å; W288-L344 HydrophobicContact CZ2-CD2 4.16Å; W288-L344 WeakPolarHBondContact CZ2-O 3.34Å; W288-L344 PolarHBondContact NE1-O 3.12Å; L325-L344 HydrophobicContact CD2-CD1 3.97Å; L325-L344 HydrophobicContact CD2-CD2 3.65Å; L332-L344 HydrophobicContact CD1-CD2 4.27Å; L332-L344 HydrophobicContact CD2-CD2 3.97Å; L332-L344 HydrophobicContact CD2-CG 4.26Å; V340-L344 HydrophobicContact CG1-CD1 3.72Å; V340-L344 HydrophobicContact CG1-CG 4.23Å; V340-L344 WeakPolarHBondContact O-CB 3.41Å; V340-L344 WeakPolarHBondContact O-CG 3.39Å; V340-L344 PolarHBondContact O-N 3.45Å; V341-L344 PolarHBondContact O-N 3.47Å; L344-R346 VanDerWaalsContact C-N 3.28Å; L344-L347 HydrophobicContact CD2-CD2 4.4Å |
| 345 | T | 96.1 | Very high | 96.6 | Very high | 67 Ų | 67 | 80 Ų | 80 | 41% | 0.411 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -73.5 | -21.3 | 173.1 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | L283 V341 Q342 | L283-T345 WeakPolarHBondContact O-CG2 3.27Å; V341-T345 HydrophobicContact CG1-CG2 4.24Å; V341-T345 WeakPolarHBondContact O-CB 3.5Å; V341-T345 VanDerWaalsContact O-CG2 3.23Å; V341-T345 WeakPolarHBondContact O-CG2 3.38Å; V341-T345 PolarHBondContact O-N 2.9Å; V341-T345 PolarHBondContact O-OG1 3.41Å; Q342-T345 PolarHBondContact O-OG1 3.42Å |
| 346 | R | 95.3 | Very high | 96.5 | Very high | 194 Ų | 194 | 78.4 Ų | 78.4 | 73% | 0.732 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -137.3 | 79.9 | 175.3 | -168.8 | 180 | -179.4 | -179.6 | -0.1 | 111.2 | Q342 F343 L344 | Q342-R346 PolarHBondContact O-N 2.88Å; F343-R346 CarbonylContact O-C 3.57Å; F343-R346 PolarHBondContact O-N 3.25Å; F343-R346 VanDerWaalsContact O-O 3.09Å; L344-R346 VanDerWaalsContact C-N 3.28Å |
| 347 | L | 96.6 | Very high | 96.5 | Very high | 16 Ų | 16 | 75.3 Ų | 75.3 | 8% | 0.084 | 35% | 0.354 | C | S | . | . | trans | -59.1 | 154.2 | 176.3 | -65.1 | 175.4 | 0 | 0 | 0 | 111.9 | W288 L297 V324 F343 L344 E349 I351 | W288-L347 HydrophobicContact CZ2-CD1 4.04Å; W288-L347 HydrophobicContact CZ2-CD2 4.15Å; W288-L347 HydrophobicContact CZ2-CG 4.3Å; L297-L347 HydrophobicContact CD2-CD1 3.81Å; V324-L347 HydrophobicContact CG1-CD1 3.83Å; V324-L347 HydrophobicContact CG1-CD2 3.79Å; V324-L347 HydrophobicContact CG1-CG 4.5Å; F343-L347 HydrophobicContact CE1-CD2 4.27Å; F343-L347 PolarHBondContact O-N 2.96Å; L344-L347 HydrophobicContact CD2-CD2 4.4Å; L347-E349 PolarHBondContact O-N 3.06Å; L347-I351 HydrophobicContact CB-CD1 4.48Å | ||
| 348 | P | 94.1 | Very high | 96.5 | Very high | 43 Ų | 43 | 76 Ų | 76 | 28% | 0.279 | 36% | 0.356 | S | S | . | . | trans | -58.1 | 138 | 176.1 | -24.7 | 35.1 | 0 | 0 | 0 | 112.5 | Y328 F343 R350 I351 | Y328-P348 HydrophobicContact CE1-CG 4.13Å; F343-P348 HydrophobicContact CE2-CG 3.96Å; F343-P348 HydrophobicContact CZ-CG 3.87Å; P348-R350 PolarHBondContact O-N 2.78Å; P348-I351 WeakPolarHBondContact O-CG1 3.08Å | ||
| 349 | E | 90.5 | Very high | 96.4 | Very high | 162 Ų | 162 | 73.8 Ų | 73.8 | 76% | 0.757 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -62.9 | -28 | 177.9 | -66.6 | 179.6 | -178.5 | 0 | 0 | 113.1 | P298 L347 | P298-E349 VanDerWaalsContact CG-O 3.3Å; P298-E349 WeakPolarHBondContact CG-O 3.17Å; L347-E349 PolarHBondContact O-N 3.06Å |
| 350 | R | 92.4 | Very high | 96.4 | Very high | 230 Ų | 230 | 67 Ų | 67 | 87% | 0.868 | 31% | 0.314 | S | S | * | . | trans | -106.4 | 106.8 | 178.3 | -64.7 | -174.4 | -177.5 | -162.8 | 0.6 | 109.3 | P348 | P348-R350 PolarHBondContact O-N 2.78Š| ||
| 351 | I | 95.8 | Very high | 96.2 | Very high | 19 Ų | 19 | 72.9 Ų | 72.9 | 10% | 0.097 | 34% | 0.336 | C | S | . | . | trans | -118.6 | 130.3 | 175.1 | -51.4 | -177.9 | 0 | 0 | 0 | 107.4 | L297 I301 L347 P348 A353 L356 | L297-I351 HydrophobicContact CD2-CD1 3.56Å; I301-I351 HydrophobicContact CD1-CB 3.72Å; I301-I351 HydrophobicContact CD1-CG2 4.05Å; L347-I351 HydrophobicContact CB-CD1 4.48Å; P348-I351 WeakPolarHBondContact O-CG1 3.08Å; I351-A353 PolarHBondContact O-N 3.13Å; I351-A353 VanDerWaalsContact O-N 3.1Å; I351-L356 HydrophobicContact CG2-CB 4.24Å; I351-L356 HydrophobicContact CG2-CD2 4.22Å | ||
| 352 | D | 96.3 | Very high | 96 | Very high | 101 Ų | 101 | 74.1 Ų | 74.1 | 54% | 0.54 | 34% | 0.34 | S | S | . | . | trans | -70.5 | 106.5 | 171.9 | -175.6 | -29 | 0 | 0 | 0 | 108.7 | N354 E355 L356 | D352-N354 VanDerWaalsContact C-N 3.29Å; D352-N354 PolarHBondContact O-N 2.75Å; D352-N354 WeakPolarHBondContact OD1-CA 3.28Å; D352-N354 WeakPolarHBondContact OD1-CB 3.4Å; D352-N354 PolarHBondContact OD1-N 3.35Å; D352-E355 HydrophobicContact CB-CB 4.03Å; D352-E355 PolarHBondContact O-N 3.45Å; D352-E355 PolarHBondContact OD1-N 3.2Å; D352-E355 VanDerWaalsContact OD1-N 3.13Å; D352-L356 WeakPolarHBondContact O-CB 3.47Å; D352-L356 PolarHBondContact O-N 3.3Å | ||
| 353 | A | 95.9 | Very high | 95.8 | Very high | 32 Ų | 32 | 67.4 Ų | 67.4 | 26% | 0.264 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.5 | -41.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I301 I351 E355 L356 F357 | I301-A353 HydrophobicContact CD1-CB 4.1Å; I301-A353 HydrophobicContact CG1-CB 3.88Å; I351-A353 PolarHBondContact O-N 3.13Å; I351-A353 VanDerWaalsContact O-N 3.1Å; A353-E355 PolarHBondContact O-N 2.93Å; A353-L356 PolarHBondContact O-N 3.09Å; A353-F357 HydrophobicContact CB-CD2 4.45Å; A353-F357 HydrophobicContact CB-CE2 4.48Å; A353-F357 WeakPolarHBondContact O-CD2 3.37Å; A353-F357 PolarHBondContact O-N 3.09Å |
| 354 | N | 95.1 | Very high | 95.5 | Very high | 118 Ų | 118 | 68.8 Ų | 68.8 | 63% | 0.631 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.3 | -42.1 | -177 | -68.8 | -43.3 | 0 | 0 | 0 | 111.4 | D352 K358 | D352-N354 VanDerWaalsContact C-N 3.29Å; D352-N354 PolarHBondContact O-N 2.75Å; D352-N354 WeakPolarHBondContact OD1-CA 3.28Å; D352-N354 WeakPolarHBondContact OD1-CB 3.4Å; D352-N354 PolarHBondContact OD1-N 3.35Å; N354-K358 VanDerWaalsContact O-CB 3.27Å; N354-K358 WeakPolarHBondContact O-CB 3.49Å; N354-K358 PolarHBondContact O-N 3.43Å |
| 355 | E | 97.2 | Very high | 95.1 | Very high | 50 Ų | 50 | 73.1 Ų | 73.1 | 23% | 0.234 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 175.7 | -174.3 | 61.8 | -171.5 | 0 | 0 | 110.8 | D352 A353 F357 K358 R359 | D352-E355 HydrophobicContact CB-CB 4.03Å; D352-E355 PolarHBondContact O-N 3.45Å; D352-E355 PolarHBondContact OD1-N 3.2Å; D352-E355 VanDerWaalsContact OD1-N 3.13Å; A353-E355 PolarHBondContact O-N 2.93Å; E355-F357 PolarHBondContact O-N 2.57Å; E355-K358 WeakPolarHBondContact O-CB 3.48Å; E355-K358 PolarHBondContact O-N 3.38Å; E355-K358 WeakPolarHBondContact OE2-CD 3.23Å; E355-K358 IonicContact OE2-NZ 3.54Å; E355-K358 PolarHBondContact OE2-NZ 3.04Å; E355-R359 HydrophobicContact CG-CG 4.43Å; E355-R359 VanDerWaalsContact O-CG 3.27Å; E355-R359 WeakPolarHBondContact O-CG 3.15Å; E355-R359 PolarHBondContact O-N 3.46Å; E355-R359 IonicContact OE1-CZ 3.64Å; E355-R359 IonicContact OE1-NE 3.69Å; E355-R359 PolarHBondContact OE1-NE 2.86Å; E355-R359 IonicContact OE1-NH2 3.08Å; E355-R359 PolarHBondContact OE1-NH2 2.87Å |
| 356 | L | 98.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.2 | -52.9 | 177.1 | 177.8 | 63.5 | 0 | 0 | 0 | 111.8 | I301 V324 I351 D352 A353 K358 R359 I360 | I301-L356 HydrophobicContact CD1-CD2 4.5Å; I301-L356 HydrophobicContact CG2-CD2 3.6Å; V324-L356 HydrophobicContact CB-CD1 4.49Å; V324-L356 HydrophobicContact CG2-CD1 3.84Å; I351-L356 HydrophobicContact CG2-CB 4.24Å; I351-L356 HydrophobicContact CG2-CD2 4.22Å; D352-L356 WeakPolarHBondContact O-CB 3.47Å; D352-L356 PolarHBondContact O-N 3.3Å; A353-L356 PolarHBondContact O-N 3.09Å; L356-K358 PolarHBondContact O-N 2.82Å; L356-R359 WeakPolarHBondContact O-CA 3.22Å; L356-R359 WeakPolarHBondContact O-CB 3.44Å; L356-R359 PolarHBondContact O-N 3.09Å; L356-I360 HydrophobicContact CD1-CD1 4.28Å; L356-I360 HydrophobicContact CD1-CG1 4.36Å; L356-I360 HydrophobicContact CG-CD1 3.99Å; L356-I360 HydrophobicContact CG-CG1 4.48Å; L356-I360 WeakPolarHBondContact O-CG1 3.49Å; L356-I360 PolarHBondContact O-N 3.27Å |
| 357 | F | 97.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67 | -25.4 | -180 | -74.3 | -72.2 | 0 | 0 | 0 | 112.9 | I301 R304 V305 L308 A353 E355 I360 R361 | I301-F357 HydrophobicContact CG2-CE2 4.17Å; I301-F357 HydrophobicContact CG2-CZ 4.26Å; R304-F357 HydrophobicContact CB-CE1 4.3Å; R304-F357 HydrophobicContact CB-CE2 3.84Å; R304-F357 HydrophobicContact CB-CZ 3.51Å; R304-F357 HydrophobicContact CG-CD1 4.42Å; R304-F357 HydrophobicContact CG-CD2 4.3Å; R304-F357 HydrophobicContact CG-CE1 3.76Å; R304-F357 HydrophobicContact CG-CE2 3.68Å; R304-F357 HydrophobicContact CG-CZ 3.38Å; V305-F357 HydrophobicContact CG2-CE1 4.11Å; V305-F357 HydrophobicContact CG2-CZ 3.91Å; L308-F357 HydrophobicContact CD1-CD1 4.01Å; L308-F357 HydrophobicContact CD1-CE1 3.95Å; A353-F357 HydrophobicContact CB-CD2 4.45Å; A353-F357 HydrophobicContact CB-CE2 4.48Å; A353-F357 WeakPolarHBondContact O-CD2 3.37Å; A353-F357 PolarHBondContact O-N 3.09Å; E355-F357 PolarHBondContact O-N 2.57Å; F357-I360 HydrophobicContact CD1-CD1 3.92Å; F357-I360 HydrophobicContact CE1-CD1 4.11Å; F357-R361 WeakPolarHBondContact O-CG 3.29Å; F357-R361 PolarHBondContact O-N 2.84Å; F357-R361 PolarHBondContact O-NE 3.36Å |
| 358 | K | 97.2 | Very high | 92.9 | Very high | 88 Ų | 88 | 69.3 Ų | 69.3 | 38% | 0.383 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.9 | -42.5 | 168.6 | 178.1 | -174.6 | 164.4 | -157.1 | 0 | 111.3 | N354 E355 L356 R361 Q362 | N354-K358 VanDerWaalsContact O-CB 3.27Å; N354-K358 WeakPolarHBondContact O-CB 3.49Å; N354-K358 PolarHBondContact O-N 3.43Å; E355-K358 WeakPolarHBondContact O-CB 3.48Å; E355-K358 PolarHBondContact O-N 3.38Å; E355-K358 WeakPolarHBondContact OE2-CD 3.23Å; E355-K358 IonicContact OE2-NZ 3.54Å; E355-K358 PolarHBondContact OE2-NZ 3.04Å; L356-K358 PolarHBondContact O-N 2.82Å; K358-R361 PolarHBondContact O-N 2.82Å; K358-Q362 WeakPolarHBondContact O-CG 3.27Å; K358-Q362 PolarHBondContact O-N 3.43Å |
| 359 | R | 97.8 | Very high | 92.2 | Very high | 72 Ų | 72 | 75 Ų | 75 | 27% | 0.272 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 176.2 | -64.8 | -69.3 | 169.3 | 167.6 | 7.4 | 112 | C326 E355 L356 R361 Q362 V363 | C326-R359 HydrophobicContact CB-CB 4.32Å; E355-R359 HydrophobicContact CG-CG 4.43Å; E355-R359 VanDerWaalsContact O-CG 3.27Å; E355-R359 WeakPolarHBondContact O-CG 3.15Å; E355-R359 PolarHBondContact O-N 3.46Å; E355-R359 IonicContact OE1-CZ 3.64Å; E355-R359 IonicContact OE1-NE 3.69Å; E355-R359 PolarHBondContact OE1-NE 2.86Å; E355-R359 IonicContact OE1-NH2 3.08Å; E355-R359 PolarHBondContact OE1-NH2 2.87Å; L356-R359 WeakPolarHBondContact O-CA 3.22Å; L356-R359 WeakPolarHBondContact O-CB 3.44Å; L356-R359 PolarHBondContact O-N 3.09Å; R359-R361 VanDerWaalsContact C-N 3.33Å; R359-R361 PolarHBondContact O-N 2.99Å; R359-Q362 WeakPolarHBondContact O-CB 3.15Å; R359-Q362 PolarHBondContact O-N 3.29Å; R359-Q362 VanDerWaalsContact O-N 3.14Å; R359-V363 PolarHBondContact O-N 3.18Å |
| 360 | I | 97.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.3 | -47 | 173.5 | -65.6 | 170.4 | 0 | 0 | 0 | 110.8 | Y316 D319 T320 L356 F357 Q362 V363 R364 | Y316-I360 HydrophobicContact CE2-CG2 4.13Å; D319-I360 HydrophobicContact CB-CG2 3.98Å; T320-I360 HydrophobicContact CG2-CD1 4.09Å; L356-I360 HydrophobicContact CD1-CD1 4.28Å; L356-I360 HydrophobicContact CD1-CG1 4.36Å; L356-I360 HydrophobicContact CG-CD1 3.99Å; L356-I360 HydrophobicContact CG-CG1 4.48Å; L356-I360 WeakPolarHBondContact O-CG1 3.49Å; L356-I360 PolarHBondContact O-N 3.27Å; F357-I360 HydrophobicContact CD1-CD1 3.92Å; F357-I360 HydrophobicContact CE1-CD1 4.11Å; I360-Q362 VanDerWaalsContact C-N 3.34Å; I360-Q362 PolarHBondContact O-N 3.3Å; I360-V363 WeakPolarHBondContact O-CG2 3.29Å; I360-V363 PolarHBondContact O-N 3.2Å; I360-R364 WeakPolarHBondContact O-CB 3.2Å; I360-R364 PolarHBondContact O-N 3.35Å |
| 361 | R | 95.2 | Very high | 90.6 | Very high | 124 Ų | 124 | 61.6 Ų | 61.6 | 47% | 0.468 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 176.7 | -72.1 | 179.6 | -62.6 | 159.6 | -5.6 | 112.5 | E115 F357 K358 R359 S365 | E115-R361 WeakPolarHBondContact OE1-CD 3.43Å; F357-R361 WeakPolarHBondContact O-CG 3.29Å; F357-R361 PolarHBondContact O-N 2.84Å; F357-R361 PolarHBondContact O-NE 3.36Å; K358-R361 PolarHBondContact O-N 2.82Å; R359-R361 VanDerWaalsContact C-N 3.33Å; R359-R361 PolarHBondContact O-N 2.99Å; R361-S365 WeakPolarHBondContact O-CB 3.42Å; R361-S365 PolarHBondContact O-N 2.92Å; R361-S365 PolarHBondContact O-OG 3.25Å |
| 362 | Q | 94.1 | Very high | 89.6 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 27% | 0.271 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.8 | -50.2 | 176.9 | -73.9 | 177 | -3.8 | 0 | 0 | 111.9 | K358 R359 I360 R364 S365 R366 | K358-Q362 WeakPolarHBondContact O-CG 3.27Å; K358-Q362 PolarHBondContact O-N 3.43Å; R359-Q362 WeakPolarHBondContact O-CB 3.15Å; R359-Q362 PolarHBondContact O-N 3.29Å; R359-Q362 VanDerWaalsContact O-N 3.14Å; I360-Q362 VanDerWaalsContact C-N 3.34Å; I360-Q362 PolarHBondContact O-N 3.3Å; Q362-R364 VanDerWaalsContact C-N 3.34Å; Q362-R364 PolarHBondContact O-N 3.34Å; Q362-S365 PolarHBondContact O-N 2.89Å; Q362-S365 PolarHBondContact O-OG 3.3Å; Q362-R366 WeakPolarHBondContact O-CG 3.37Å; Q362-R366 PolarHBondContact O-N 3.45Å |
| 363 | V | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.2 | -43.5 | -179.9 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | L267 L322 C326 R359 I360 S365 R366 | L267-V363 HydrophobicContact CD2-CG1 4.43Å; L322-V363 HydrophobicContact CB-CB 4.21Å; L322-V363 HydrophobicContact CB-CG1 4.34Å; L322-V363 HydrophobicContact CB-CG2 3.93Å; C326-V363 HydrophobicContact CB-CG1 3.77Å; R359-V363 PolarHBondContact O-N 3.18Å; I360-V363 WeakPolarHBondContact O-CG2 3.29Å; I360-V363 PolarHBondContact O-N 3.2Å; V363-S365 VanDerWaalsContact C-N 3.34Å; V363-S365 PolarHBondContact O-N 2.98Å; V363-R366 WeakPolarHBondContact O-CB 3.5Å; V363-R366 PolarHBondContact O-N 2.99Å; V363-R366 VanDerWaalsContact O-N 3.15Å |
| 364 | R | 91.4 | Very high | 87.6 | Confident | 64 Ų | 64 | 66.5 Ų | 66.5 | 24% | 0.242 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 176.7 | -179.6 | 177.4 | 167.9 | 178.1 | 2.5 | 112.5 | D312 I360 Q362 R366 V367 D368 | D312-R364 IonicContact OD2-CZ 3.19Å; D312-R364 IonicContact OD2-NH1 3.55Å; D312-R364 PolarHBondContact OD2-NH1 3.39Å; D312-R364 IonicContact OD2-NH2 3.98Å; I360-R364 WeakPolarHBondContact O-CB 3.2Å; I360-R364 PolarHBondContact O-N 3.35Å; Q362-R364 VanDerWaalsContact C-N 3.34Å; Q362-R364 PolarHBondContact O-N 3.34Å; R364-R366 PolarHBondContact O-N 2.91Å; R364-V367 PolarHBondContact O-N 3.28Å; R364-D368 PolarHBondContact O-N 3.33Å |
| 365 | S | 89.2 | Confident | 86.4 | Confident | 91 Ų | 91 | 63.1 Ų | 63.1 | 64% | 0.636 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65.2 | -21.5 | 179.8 | 72.3 | 0 | 0 | 0 | 0 | 114.2 | R361 Q362 V363 V367 | R361-S365 WeakPolarHBondContact O-CB 3.42Å; R361-S365 PolarHBondContact O-N 2.92Å; R361-S365 PolarHBondContact O-OG 3.25Å; Q362-S365 PolarHBondContact O-N 2.89Å; Q362-S365 PolarHBondContact O-OG 3.3Å; V363-S365 VanDerWaalsContact C-N 3.34Å; V363-S365 PolarHBondContact O-N 2.98Å; S365-V367 VanDerWaalsContact C-N 3.34Å |
| 366 | R | 86 | Confident | 85.3 | Confident | 129 Ų | 129 | 63.3 Ų | 63.3 | 49% | 0.487 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -18.7 | -178 | -70.1 | 173.9 | -175.6 | 178.7 | 2 | 113.5 | S266 Q362 V363 R364 | S266-R366 PolarHBondContact O-NH1 3.03Å; Q362-R366 WeakPolarHBondContact O-CG 3.37Å; Q362-R366 PolarHBondContact O-N 3.45Å; V363-R366 WeakPolarHBondContact O-CB 3.5Å; V363-R366 PolarHBondContact O-N 2.99Å; V363-R366 VanDerWaalsContact O-N 3.15Å; R364-R366 PolarHBondContact O-N 2.91Å |
| 367 | V | 78.7 | Confident | 84.1 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -139.7 | 12.4 | -163.5 | -63.7 | 0 | 0 | 0 | 0 | 114 | Y262 L265 S266 R364 S365 K369 E370 R371 | Y262-V367 HydrophobicContact CD2-CB 4.23Å; Y262-V367 HydrophobicContact CD2-CG1 4.09Å; Y262-V367 HydrophobicContact CD2-CG2 3.87Å; Y262-V367 HydrophobicContact CE2-CB 3.83Å; Y262-V367 HydrophobicContact CE2-CG1 3.88Å; Y262-V367 HydrophobicContact CE2-CG2 3.03Å; Y262-V367 WeakPolarHBondContact OH-CG2 3.48Å; L265-V367 HydrophobicContact CB-CG1 3.83Å; S266-V367 WeakPolarHBondContact OG-CG1 3.5Å; R364-V367 PolarHBondContact O-N 3.28Å; S365-V367 VanDerWaalsContact C-N 3.34Å; V367-K369 PolarHBondContact O-N 3.47Å; V367-E370 PolarHBondContact O-N 3.04Å; V367-E370 VanDerWaalsContact O-N 3.09Å; V367-R371 HydrophobicContact CG2-CB 4.25Å; V367-R371 WeakPolarHBondContact O-CB 3.24Å; V367-R371 PolarHBondContact O-N 2.91Å |
| 368 | D | 77.6 | Confident | 82.9 | Confident | 66 Ų | 66 | 71.4 Ų | 71.4 | 35% | 0.353 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.6 | -31.1 | -162.4 | -167.7 | 42.7 | 0 | 0 | 0 | 113.1 | R364 R371 Q372 | R364-D368 PolarHBondContact O-N 3.33Å; D368-R371 IonicContact OD1-NH1 3.86Å; D368-Q372 WeakPolarHBondContact O-CG 3.44Å; D368-Q372 PolarHBondContact O-N 2.97Å |
| 369 | K | 78.1 | Confident | 81.4 | Confident | 162 Ų | 162 | 70 Ų | 70 | 70% | 0.704 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -73.1 | -50.1 | 175.7 | -67.4 | -177.7 | 179.7 | 178.9 | 0 | 112 | V367 R371 Q372 I373 | V367-K369 PolarHBondContact O-N 3.47Å; K369-R371 VanDerWaalsContact C-N 3.28Å; K369-R371 PolarHBondContact O-N 3.28Å; K369-Q372 PolarHBondContact O-N 2.91Å; K369-I373 WeakPolarHBondContact O-CG1 3.46Å; K369-I373 PolarHBondContact O-N 3.01Å |
| 370 | E | 77.2 | Confident | 79.7 | Confident | 93 Ų | 93 | 70.7 Ų | 70.7 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 179.9 | -65.8 | 76.1 | -170.7 | 0 | 0 | 110.7 | L265 V367 Q372 I373 L374 | L265-E370 HydrophobicContact CD1-CB 4Å; L265-E370 HydrophobicContact CD1-CG 4.16Å; V367-E370 PolarHBondContact O-N 3.04Å; V367-E370 VanDerWaalsContact O-N 3.09Å; E370-Q372 PolarHBondContact O-N 3.02Å; E370-I373 PolarHBondContact O-N 2.67Å; E370-L374 VanDerWaalsContact O-CB 3.24Å; E370-L374 WeakPolarHBondContact O-CB 3.44Å; E370-L374 PolarHBondContact O-N 3.48Å |
| 371 | R | 73.3 | Confident | 77.9 | Confident | 19 Ų | 19 | 74.6 Ų | 74.6 | 7% | 0.072 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.2 | -47.2 | 176 | 176.2 | 178.3 | 173.2 | -93.3 | -4.8 | 112.3 | L315 D319 V367 D368 K369 F375 | L315-R371 HydrophobicContact CD1-CG 3.89Å; D319-R371 IonicContact OD1-NE 3.64Å; D319-R371 PolarHBondContact OD1-NE 2.94Å; D319-R371 VanDerWaalsContact OD1-NE 3.08Å; D319-R371 IonicContact OD2-CZ 2.8Å; D319-R371 VanDerWaalsContact OD2-CZ 3.26Å; D319-R371 IonicContact OD2-NE 3.88Å; D319-R371 PolarHBondContact OD2-NE 3.33Å; D319-R371 VanDerWaalsContact OD2-NE 3.08Å; D319-R371 IonicContact OD2-NH2 3.33Å; D319-R371 PolarHBondContact OD2-NH2 3.44Å; V367-R371 HydrophobicContact CG2-CB 4.25Å; V367-R371 WeakPolarHBondContact O-CB 3.24Å; V367-R371 PolarHBondContact O-N 2.91Å; D368-R371 IonicContact OD1-NH1 3.86Å; K369-R371 VanDerWaalsContact C-N 3.28Å; K369-R371 PolarHBondContact O-N 3.28Å; R371-F375 PolarHBondContact O-N 3.27Å |
| 372 | Q | 75.4 | Confident | 75.9 | Confident | 118 Ų | 118 | 71 Ų | 71 | 55% | 0.551 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -67.8 | -43.1 | -179.7 | -69.9 | 176.5 | 19.9 | 0 | 0 | 112 | D368 K369 E370 S376 | D368-Q372 WeakPolarHBondContact O-CG 3.44Å; D368-Q372 PolarHBondContact O-N 2.97Å; K369-Q372 PolarHBondContact O-N 2.91Å; E370-Q372 PolarHBondContact O-N 3.02Å; Q372-S376 PolarHBondContact O-N 3.21Å |
| 373 | I | 77.4 | Confident | 73.6 | Confident | 92 Ų | 92 | 73.5 Ų | 73.5 | 47% | 0.472 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 179.3 | -64.9 | 167.4 | 0 | 0 | 0 | 111.2 | K369 E370 F375 S376 R377 | K369-I373 WeakPolarHBondContact O-CG1 3.46Å; K369-I373 PolarHBondContact O-N 3.01Å; E370-I373 PolarHBondContact O-N 2.67Å; I373-F375 VanDerWaalsContact C-N 3.34Å; I373-S376 PolarHBondContact O-OG 3.29Å; I373-R377 WeakPolarHBondContact O-CG 3.36Å; I373-R377 PolarHBondContact O-N 3.33Å |
| 374 | L | 72.6 | Confident | 71.1 | Confident | 44 Ų | 44 | 78.3 Ų | 78.3 | 23% | 0.23 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -71.4 | -34.4 | -175.1 | -156.3 | 135.5 | 0 | 0 | 0 | 111.3 | A258 T261 E370 L378 | A258-L374 HydrophobicContact CB-CD2 3.37Å; T261-L374 HydrophobicContact CG2-CD1 3.5Å; T261-L374 VanDerWaalsContact CG2-CD1 3.5Å; E370-L374 VanDerWaalsContact O-CB 3.24Å; E370-L374 WeakPolarHBondContact O-CB 3.44Å; E370-L374 PolarHBondContact O-N 3.48Å; L374-L378 PolarHBondContact O-N 3.27Å |
| 375 | F | 69.5 | Low | 68.6 | Low | 48 Ų | 48 | 81.9 Ų | 81.9 | 21% | 0.211 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -78 | -35.4 | 175.9 | -162.6 | -107.7 | 0 | 0 | 0 | 114.1 | D314 L315 R371 I373 R377 L378 V379 | D314-F375 HydrophobicContact CB-CZ 4.47Å; L315-F375 HydrophobicContact CD1-CB 3.35Å; L315-F375 HydrophobicContact CD1-CD1 3.92Å; L315-F375 HydrophobicContact CD1-CD2 3.9Å; L315-F375 HydrophobicContact CD1-CG 3.46Å; L315-F375 VanDerWaalsContact CD1-CG 3.46Å; L315-F375 HydrophobicContact CD2-CB 3.81Å; L315-F375 HydrophobicContact CD2-CD2 3.11Å; L315-F375 HydrophobicContact CD2-CE2 3.73Å; L315-F375 HydrophobicContact CD2-CG 3.63Å; L315-F375 HydrophobicContact CG-CB 3.8Å; L315-F375 HydrophobicContact CG-CD1 3.97Å; L315-F375 HydrophobicContact CG-CD2 3.29Å; L315-F375 HydrophobicContact CG-CE1 4.34Å; L315-F375 HydrophobicContact CG-CE2 3.7Å; L315-F375 HydrophobicContact CG-CG 3.41Å; L315-F375 VanDerWaalsContact CG-CG 3.41Å; L315-F375 HydrophobicContact CG-CZ 4.21Å; R371-F375 PolarHBondContact O-N 3.27Å; I373-F375 VanDerWaalsContact C-N 3.34Å; F375-R377 PolarHBondContact O-N 3.03Å; F375-L378 HydrophobicContact CD2-CB 4.35Å; F375-L378 HydrophobicContact CD2-CD1 3.79Å; F375-L378 HydrophobicContact CE2-CD1 4.36Å; F375-L378 WeakPolarHBondContact O-CB 3.36Å; F375-L378 PolarHBondContact O-N 3.4Å; F375-V379 HydrophobicContact CD1-CG2 3.8Å; F375-V379 HydrophobicContact CE1-CG2 3.53Å; F375-V379 HydrophobicContact CZ-CG2 4.06Å; F375-V379 WeakPolarHBondContact O-CG2 3.26Å; F375-V379 PolarHBondContact O-N 3.26Å |
| 376 | S | 73.2 | Confident | 66.3 | Low | 53 Ų | 53 | 82 Ų | 82 | 37% | 0.371 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -56.9 | -39.9 | 174.3 | 69.2 | 0 | 0 | 0 | 0 | 110.1 | Q372 I373 V379 D380 | Q372-S376 PolarHBondContact O-N 3.21Å; I373-S376 PolarHBondContact O-OG 3.29Å; S376-V379 PolarHBondContact O-N 2.95Å; S376-D380 VanDerWaalsContact O-CB 3.31Å; S376-D380 WeakPolarHBondContact O-CB 3.32Å; S376-D380 PolarHBondContact O-N 3.03Å |
| 377 | R | 73.4 | Confident | 63.6 | Low | 159 Ų | 159 | 81.5 Ų | 81.5 | 60% | 0.6 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62 | -45.3 | 172.5 | -67 | 176.1 | -177.8 | 179.4 | 0.4 | 113.3 | I373 F375 V379 D380 D381 | I373-R377 WeakPolarHBondContact O-CG 3.36Å; I373-R377 PolarHBondContact O-N 3.33Å; F375-R377 PolarHBondContact O-N 3.03Å; R377-V379 PolarHBondContact O-N 3.19Å; R377-D380 PolarHBondContact O-N 2.98Å; R377-D381 VanDerWaalsContact O-CB 3.27Å; R377-D381 WeakPolarHBondContact O-CB 3.34Å; R377-D381 PolarHBondContact O-N 3.06Å |
| 378 | L | 72.6 | Confident | 62.9 | Low | 17 Ų | 17 | 85.5 Ų | 85.5 | 9% | 0.089 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -58 | -34.6 | 176.3 | -78.3 | 173.6 | 0 | 0 | 0 | 113 | R254 Y255 A258 L374 F375 | R254-L378 HydrophobicContact CB-CD2 3.99Å; Y255-L378 HydrophobicContact CD1-CD1 4.18Å; Y255-L378 HydrophobicContact CE1-CD1 4.38Å; A258-L378 HydrophobicContact CB-CD1 3.49Å; A258-L378 VanDerWaalsContact CB-CD1 3.49Å; A258-L378 HydrophobicContact CB-CD2 3.94Å; A258-L378 HydrophobicContact CB-CG 3.99Å; L374-L378 PolarHBondContact O-N 3.27Å; F375-L378 HydrophobicContact CD2-CB 4.35Å; F375-L378 HydrophobicContact CD2-CD1 3.79Å; F375-L378 HydrophobicContact CE2-CD1 4.36Å; F375-L378 WeakPolarHBondContact O-CB 3.36Å; F375-L378 PolarHBondContact O-N 3.4Å |
| 379 | V | 66.7 | Low | 62.1 | Low | 59 Ų | 59 | 86.5 Ų | 86.5 | 36% | 0.358 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -81.7 | -45.7 | 179.1 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | F375 S376 R377 D381 R382 I383 | F375-V379 HydrophobicContact CD1-CG2 3.8Å; F375-V379 HydrophobicContact CE1-CG2 3.53Å; F375-V379 HydrophobicContact CZ-CG2 4.06Å; F375-V379 WeakPolarHBondContact O-CG2 3.26Å; F375-V379 PolarHBondContact O-N 3.26Å; S376-V379 PolarHBondContact O-N 2.95Å; R377-V379 PolarHBondContact O-N 3.19Å; V379-D381 VanDerWaalsContact C-N 3.33Å; V379-D381 PolarHBondContact O-N 3.22Å; V379-R382 WeakPolarHBondContact O-CB 3.31Å; V379-R382 PolarHBondContact O-N 3.24Å; V379-I383 HydrophobicContact CG1-CD1 4.39Å; V379-I383 PolarHBondContact O-N 3.38Å |
| 380 | D | 62.5 | Low | 61.2 | Low | 85 Ų | 85 | 82.3 Ų | 82.3 | 46% | 0.455 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | -179.5 | -68.5 | -24.7 | 0 | 0 | 0 | 111.8 | S376 R377 R382 I383 T384 | S376-D380 VanDerWaalsContact O-CB 3.31Å; S376-D380 WeakPolarHBondContact O-CB 3.32Å; S376-D380 PolarHBondContact O-N 3.03Å; R377-D380 PolarHBondContact O-N 2.98Å; D380-R382 PolarHBondContact O-N 3.22Å; D380-I383 PolarHBondContact O-N 2.96Å; D380-T384 PolarHBondContact O-N 3.46Å; D380-T384 VanDerWaalsContact O-N 3.07Å; D380-T384 PolarHBondContact O-OG1 2.9Å |
| 381 | D | 57.5 | Low | 60.3 | Low | 83 Ų | 83 | 81.7 Ų | 81.7 | 44% | 0.444 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.2 | -11.3 | 176.2 | -69.9 | -14.4 | 0 | 0 | 0 | 113.2 | R254 R377 V379 T384 M385 | R254-D381 PolarHBondContact NH1-O 3.39Å; R377-D381 VanDerWaalsContact O-CB 3.27Å; R377-D381 WeakPolarHBondContact O-CB 3.34Å; R377-D381 PolarHBondContact O-N 3.06Å; V379-D381 VanDerWaalsContact C-N 3.33Å; V379-D381 PolarHBondContact O-N 3.22Å; D381-T384 VanDerWaalsContact CA-OG1 3.32Å; D381-T384 WeakPolarHBondContact CA-OG1 3.27Å; D381-M385 VanDerWaalsContact O-CG 3.26Å; D381-M385 WeakPolarHBondContact O-CG 3.39Å |
| 382 | R | 53.6 | Low | 59.5 | Low | 48 Ų | 48 | 85.6 Ų | 85.6 | 18% | 0.181 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -89 | -41.5 | 169.6 | -71.1 | 177.4 | -179 | -115.4 | -13.8 | 111.7 | P239 D251 Y255 V379 D380 T384 M385 A386 | P239-R382 PolarHBondContact O-NH1 3.11Å; D251-R382 IonicContact OD2-NH2 3.95Å; Y255-R382 PolarHBondContact OH-NH2 2.82Å; V379-R382 WeakPolarHBondContact O-CB 3.31Å; V379-R382 PolarHBondContact O-N 3.24Å; D380-R382 PolarHBondContact O-N 3.22Å; R382-T384 VanDerWaalsContact C-N 3.25Å; R382-T384 PolarHBondContact O-N 3.06Å; R382-M385 PolarHBondContact O-N 3.21Å; R382-A386 WeakPolarHBondContact O-CB 3.45Å; R382-A386 PolarHBondContact O-N 3.43Å |
| 383 | I | 45.5 | Very low | 58.4 | Low | 112 Ų | 112 | 83.5 Ų | 83.5 | 57% | 0.574 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.4 | -39.2 | 178 | -62.5 | 172.3 | 0 | 0 | 0 | 110.1 | V379 D380 M385 | V379-I383 HydrophobicContact CG1-CD1 4.39Å; V379-I383 PolarHBondContact O-N 3.38Å; D380-I383 PolarHBondContact O-N 2.96Å; I383-M385 VanDerWaalsContact C-N 3.34Å; I383-M385 PolarHBondContact O-N 3.07Å |
| 384 | T | 41.3 | Very low | 57 | Low | 100 Ų | 100 | 82.9 Ų | 82.9 | 61% | 0.613 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -72.3 | -19.5 | 178.5 | 43.5 | 0 | 0 | 0 | 0 | 115 | D380 D381 R382 | D380-T384 PolarHBondContact O-N 3.46Å; D380-T384 VanDerWaalsContact O-N 3.07Å; D380-T384 PolarHBondContact O-OG1 2.9Å; D381-T384 VanDerWaalsContact CA-OG1 3.32Å; D381-T384 WeakPolarHBondContact CA-OG1 3.27Å; R382-T384 VanDerWaalsContact C-N 3.25Å; R382-T384 PolarHBondContact O-N 3.06Å |
| 385 | M | 39.5 | Very low | 55.8 | Low | 140 Ų | 140 | 85.8 Ų | 85.8 | 69% | 0.69 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -98.6 | -20.1 | 178.1 | -70.5 | -85.7 | -68.9 | 0 | 0 | 113 | D381 R382 I383 | D381-M385 VanDerWaalsContact O-CG 3.26Å; D381-M385 WeakPolarHBondContact O-CG 3.39Å; R382-M385 PolarHBondContact O-N 3.21Å; I383-M385 VanDerWaalsContact C-N 3.34Å; I383-M385 PolarHBondContact O-N 3.07Å |
| 386 | A | 40.2 | Very low | 54.7 | Low | 93 Ų | 93 | 89 Ų | 89 | 77% | 0.769 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -89.1 | -12.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R382 | R382-A386 WeakPolarHBondContact O-CB 3.45Å; R382-A386 PolarHBondContact O-N 3.43Å |
| 387 | G | 30.2 | Very low | 53 | Low | 119 Ų | 119 | 92.3 Ų | 92.3 | 100% | 1.227 | 55% | 0.545 | S | S | * | . | trans | -96.8 | 0 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111 |
Retrieved 387 of 387 residues in 176.9 ms
(Link to these results)