| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 54.4 | Low | 56 | Low | 209 Ų | 209 | 135.5 Ų | 135.5 | 100% | 1.03 | 65% | 0.645 | S | S | * | * | 0 | -35 | 0 | -151.4 | 171.2 | -166.8 | 0 | 0 | 112.9 | |||||
| 2 | T | 53.2 | Low | 56.1 | Low | 125 Ų | 125 | 139.8 Ų | 139.8 | 77% | 0.767 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -60.8 | -39.3 | 174.7 | 21.6 | 0 | 0 | 0 | 0 | 114.4 | V4 R5 R6 | T2-V4 PolarHBondContact O-N 3.44Å; T2-R5 WeakPolarHBondContact O-CB 3.42Å; T2-R5 PolarHBondContact O-N 3.34Å; T2-R5 VanDerWaalsContact O-N 3.15Å; T2-R6 PolarHBondContact O-N 3.25Å |
| 3 | D | 51.9 | Low | 56.1 | Low | 122 Ų | 122 | 138.8 Ų | 138.8 | 65% | 0.652 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -65.8 | -38.8 | -174.6 | -140.7 | 0.1 | 0 | 0 | 0 | 113.6 | R5 R6 S7 | D3-R5 PolarHBondContact O-N 3.07Å; D3-R6 PolarHBondContact O-N 3.31Å; D3-S7 PolarHBondContact O-N 3.45Å; D3-S7 VanDerWaalsContact O-N 3.12Å |
| 4 | V | 56.5 | Low | 55.9 | Low | 98 Ų | 98 | 141.4 Ų | 141.4 | 59% | 0.594 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.8 | -23.6 | 176.6 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | T2 R8 | T2-V4 PolarHBondContact O-N 3.44Å; V4-R8 PolarHBondContact O-N 3.25Å |
| 5 | R | 54.1 | Low | 55.6 | Low | 186 Ų | 186 | 135.2 Ų | 135.2 | 70% | 0.702 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -74.3 | -46.3 | 172.2 | -78.4 | -172.9 | 173.5 | 176.1 | -1.9 | 111.5 | T2 D3 S7 R8 E9 | T2-R5 WeakPolarHBondContact O-CB 3.42Å; T2-R5 PolarHBondContact O-N 3.34Å; T2-R5 VanDerWaalsContact O-N 3.15Å; D3-R5 PolarHBondContact O-N 3.07Å; R5-S7 VanDerWaalsContact C-N 3.34Å; R5-S7 PolarHBondContact O-N 3.02Å; R5-R8 PolarHBondContact O-N 3.36Å; R5-R8 VanDerWaalsContact O-N 3.1Å; R5-E9 PolarHBondContact O-N 3.08Å |
| 6 | R | 55.8 | Low | 55.4 | Low | 167 Ų | 167 | 135.4 Ų | 135.4 | 63% | 0.63 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -57.8 | -45.2 | 177.8 | -177.2 | 176.3 | -81 | 172.1 | -8.9 | 111.7 | T2 D3 R8 E9 E10 | T2-R6 PolarHBondContact O-N 3.25Å; D3-R6 PolarHBondContact O-N 3.31Å; R6-R8 VanDerWaalsContact C-N 3.34Å; R6-R8 PolarHBondContact O-N 3.04Å; R6-E9 PolarHBondContact O-N 3.2Å; R6-E9 VanDerWaalsContact O-N 3.17Å; R6-E10 PolarHBondContact O-N 3.45Å |
| 7 | S | 54.1 | Low | 55 | Low | 63 Ų | 63 | 132.4 Ų | 132.4 | 44% | 0.441 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -60.2 | -38.2 | 175.2 | 179.7 | 0 | 0 | 0 | 0 | 113.6 | D3 R5 Q11 | D3-S7 PolarHBondContact O-N 3.45Å; D3-S7 VanDerWaalsContact O-N 3.12Å; R5-S7 VanDerWaalsContact C-N 3.34Å; R5-S7 PolarHBondContact O-N 3.02Å; S7-Q11 WeakPolarHBondContact O-CG 3.15Å; S7-Q11 PolarHBondContact O-N 2.99Å; S7-Q11 VanDerWaalsContact O-N 3.1Å |
| 8 | R | 56.3 | Low | 54.5 | Low | 173 Ų | 173 | 131 Ų | 131 | 65% | 0.653 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.6 | -29.9 | 175.4 | -81.2 | -175.2 | 174.5 | -175.4 | -0.2 | 113.5 | V4 R5 R6 R12 | V4-R8 PolarHBondContact O-N 3.25Å; R5-R8 PolarHBondContact O-N 3.36Å; R5-R8 VanDerWaalsContact O-N 3.1Å; R6-R8 VanDerWaalsContact C-N 3.34Å; R6-R8 PolarHBondContact O-N 3.04Å; R8-R12 WeakPolarHBondContact O-CB 3.45Å; R8-R12 WeakPolarHBondContact O-CG 3.15Å; R8-R12 PolarHBondContact O-N 2.95Å |
| 9 | E | 63.2 | Low | 54.1 | Low | 120 Ų | 120 | 130.1 Ų | 130.1 | 56% | 0.561 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.8 | -42.1 | 176 | -75 | 168.7 | 171.7 | 0 | 0 | 111.2 | R5 R6 Q11 R12 Q13 | R5-E9 PolarHBondContact O-N 3.08Å; R6-E9 PolarHBondContact O-N 3.2Å; R6-E9 VanDerWaalsContact O-N 3.17Å; E9-Q11 PolarHBondContact O-N 3.15Å; E9-R12 PolarHBondContact O-N 2.91Å; E9-Q13 PolarHBondContact O-N 3.27Å |
| 10 | E | 58.7 | Low | 53.6 | Low | 95 Ų | 95 | 126.7 Ų | 126.7 | 44% | 0.444 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.7 | -40.2 | 172.7 | -71.1 | 178.5 | -166.9 | 0 | 0 | 112.5 | R6 Q13 R14 | R6-E10 PolarHBondContact O-N 3.45Å; E10-Q13 PolarHBondContact O-N 3.28Å; E10-R14 WeakPolarHBondContact O-CG 3.39Å; E10-R14 PolarHBondContact O-N 3.04Å |
| 11 | Q | 57.3 | Low | 52.9 | Low | 133 Ų | 133 | 126.3 Ų | 126.3 | 62% | 0.621 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.3 | -37 | 173.6 | -77.7 | -173.1 | -18.4 | 0 | 0 | 112.7 | S7 E9 A15 | S7-Q11 WeakPolarHBondContact O-CG 3.15Å; S7-Q11 PolarHBondContact O-N 2.99Å; S7-Q11 VanDerWaalsContact O-N 3.1Å; E9-Q11 PolarHBondContact O-N 3.15Å; Q11-A15 WeakPolarHBondContact O-CB 3.25Å; Q11-A15 PolarHBondContact O-N 3.2Å |
| 12 | R | 57.3 | Low | 52.3 | Low | 186 Ų | 186 | 121.3 Ų | 121.3 | 70% | 0.702 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.5 | -40.3 | 174.6 | -80.6 | 176.3 | 170.1 | -169.8 | -5 | 112.2 | R8 E9 A15 Q16 | R8-R12 WeakPolarHBondContact O-CB 3.45Å; R8-R12 WeakPolarHBondContact O-CG 3.15Å; R8-R12 PolarHBondContact O-N 2.95Å; E9-R12 PolarHBondContact O-N 2.91Å; R12-A15 PolarHBondContact O-N 3.39Å; R12-Q16 WeakPolarHBondContact O-CG 3.32Å; R12-Q16 PolarHBondContact O-N 3.16Å |
| 13 | Q | 56 | Low | 51.5 | Low | 128 Ų | 128 | 121.7 Ų | 121.7 | 60% | 0.598 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.1 | -40.8 | 176.5 | -75.9 | 180 | -17.3 | 0 | 0 | 112.5 | E9 E10 Q16 T17 | E9-Q13 PolarHBondContact O-N 3.27Å; E10-Q13 PolarHBondContact O-N 3.28Å; Q13-Q16 PolarHBondContact O-N 3.24Å; Q13-T17 PolarHBondContact O-N 3.23Å; Q13-T17 PolarHBondContact O-OG1 3.46Å |
| 14 | R | 53.5 | Low | 50.8 | Low | 174 Ų | 174 | 121.1 Ų | 121.1 | 66% | 0.657 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.6 | -48.2 | 172.3 | -68.6 | -176.7 | -165.4 | -166 | 6 | 111.6 | E10 Q16 T17 D18 | E10-R14 WeakPolarHBondContact O-CG 3.39Å; E10-R14 PolarHBondContact O-N 3.04Å; R14-Q16 VanDerWaalsContact C-N 3.31Å; R14-Q16 PolarHBondContact O-N 2.98Å; R14-T17 WeakPolarHBondContact O-CB 3.24Å; R14-T17 PolarHBondContact O-N 2.96Å; R14-D18 PolarHBondContact O-N 2.95Å |
| 15 | A | 52.2 | Low | 49.7 | Very low | 49 Ų | 49 | 124.3 Ų | 124.3 | 41% | 0.405 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -60.2 | -36.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q11 R12 I19 | Q11-A15 WeakPolarHBondContact O-CB 3.25Å; Q11-A15 PolarHBondContact O-N 3.2Å; R12-A15 PolarHBondContact O-N 3.39Å; A15-I19 WeakPolarHBondContact O-CD1 3.44Å; A15-I19 VanDerWaalsContact O-CG1 3.26Å; A15-I19 WeakPolarHBondContact O-CG1 3.23Å; A15-I19 PolarHBondContact O-N 3.3Å; A15-I19 VanDerWaalsContact O-N 3.13Å |
| 16 | Q | 52.7 | Low | 48.7 | Very low | 138 Ų | 138 | 121.5 Ų | 121.5 | 65% | 0.645 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.7 | -31.1 | 174.4 | -76.5 | 177.9 | -47 | 0 | 0 | 113 | R12 Q13 R14 A20 | R12-Q16 WeakPolarHBondContact O-CG 3.32Å; R12-Q16 PolarHBondContact O-N 3.16Å; Q13-Q16 PolarHBondContact O-N 3.24Å; R14-Q16 VanDerWaalsContact C-N 3.31Å; R14-Q16 PolarHBondContact O-N 2.98Å; Q16-A20 PolarHBondContact O-N 3.33Å; Q16-A20 VanDerWaalsContact O-N 3.11Å |
| 17 | T | 48.7 | Very low | 47.5 | Very low | 85 Ų | 85 | 117.5 Ų | 117.5 | 52% | 0.521 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.8 | -39.2 | 175.6 | -50.4 | 0 | 0 | 0 | 0 | 111.2 | Q13 R14 A20 N21 | Q13-T17 PolarHBondContact O-N 3.23Å; Q13-T17 PolarHBondContact O-OG1 3.46Å; R14-T17 WeakPolarHBondContact O-CB 3.24Å; R14-T17 PolarHBondContact O-N 2.96Å; T17-A20 PolarHBondContact O-N 3.41Å; T17-N21 PolarHBondContact O-N 3.36Å |
| 18 | D | 44.4 | Very low | 46.4 | Very low | 107 Ų | 107 | 120.5 Ų | 120.5 | 57% | 0.572 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.4 | -39 | 175 | -68.8 | -32.5 | 0 | 0 | 0 | 112 | R14 A20 N21 V22 | R14-D18 PolarHBondContact O-N 2.95Å; D18-A20 VanDerWaalsContact C-N 3.31Å; D18-A20 PolarHBondContact O-N 3.37Å; D18-N21 PolarHBondContact O-N 3.47Å; D18-V22 WeakPolarHBondContact O-CG2 3.47Å; D18-V22 PolarHBondContact O-N 2.92Å |
| 19 | I | 48.2 | Very low | 45.3 | Very low | 114 Ų | 114 | 118.4 Ų | 118.4 | 59% | 0.585 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.6 | -33.1 | 174.8 | -68.9 | 165.8 | 0 | 0 | 0 | 111.7 | A15 | A15-I19 WeakPolarHBondContact O-CD1 3.44Å; A15-I19 VanDerWaalsContact O-CG1 3.26Å; A15-I19 WeakPolarHBondContact O-CG1 3.23Å; A15-I19 PolarHBondContact O-N 3.3Å; A15-I19 VanDerWaalsContact O-N 3.13Å |
| 20 | A | 43.8 | Very low | 43.5 | Very low | 62 Ų | 62 | 123.4 Ų | 123.4 | 51% | 0.512 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -68 | -35.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q16 T17 D18 | Q16-A20 PolarHBondContact O-N 3.33Å; Q16-A20 VanDerWaalsContact O-N 3.11Å; T17-A20 PolarHBondContact O-N 3.41Å; D18-A20 VanDerWaalsContact C-N 3.31Å; D18-A20 PolarHBondContact O-N 3.37Å |
| 21 | N | 38.8 | Very low | 42.1 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 63% | 0.631 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -78.2 | -15 | -179.7 | -99.2 | -15 | 0 | 0 | 0 | 114.8 | T17 D18 T24 | T17-N21 PolarHBondContact O-N 3.36Å; D18-N21 PolarHBondContact O-N 3.47Å; N21-T24 PolarHBondContact O-OG1 3.38Å |
| 22 | V | 42.4 | Very low | 40.8 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 63% | 0.63 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -78.2 | -21.6 | 174.5 | 172.6 | 0 | 0 | 0 | 0 | 112.2 | D18 | D18-V22 WeakPolarHBondContact O-CG2 3.47Å; D18-V22 PolarHBondContact O-N 2.92Å |
| 23 | N | 35.3 | Very low | 39.4 | Very low | 133 Ų | 133 | 123.2 Ų | 123.2 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 5.9 | -175.8 | -78.2 | -30.8 | 0 | 0 | 0 | 115.2 | ||
| 24 | T | 37.8 | Very low | 38.2 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 68% | 0.681 | 69% | 0.687 | S | S | * | * | trans | -97.7 | 41.8 | 170.1 | 41.7 | 0 | 0 | 0 | 0 | 112.7 | N21 | N21-T24 PolarHBondContact O-OG1 3.38Š| ||
| 25 | Q | 32.8 | Very low | 37 | Very low | 165 Ų | 165 | 124.4 Ų | 124.4 | 77% | 0.771 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 129 | 158.2 | -71.2 | -171.4 | -11.4 | 0 | 0 | 109.8 | A27 | Q25-A27 PolarHBondContact O-N 3.08Š|
| 26 | P | 32.8 | Very low | 35.9 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 83% | 0.825 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 135.2 | 168.1 | 26.9 | -32.4 | 0 | 0 | 0 | 109.6 | ||
| 27 | A | 32.3 | Very low | 34.7 | Very low | 82 Ų | 82 | 128.6 Ų | 128.6 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 150.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q25 V29 | Q25-A27 PolarHBondContact O-N 3.08Å; A27-V29 PolarHBondContact O-N 3.47Å |
| 28 | P | 29.6 | Very low | 33.8 | Very low | 127 Ų | 127 | 129 Ų | 129 | 83% | 0.825 | 72% | 0.722 | S | S | * | * | trans | -62.5 | 110.3 | -179.9 | 25.8 | -34.6 | 0 | 0 | 0 | 110.8 | R30 | P28-R30 PolarHBondContact O-N 3.45Å; P28-R30 VanDerWaalsContact O-N 3.16Å | ||
| 29 | V | 33.3 | Very low | 33 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | trans | -60.9 | 118.8 | 171.8 | -179.8 | 0 | 0 | 0 | 0 | 108 | A27 F31 | A27-V29 PolarHBondContact O-N 3.47Å; V29-F31 PolarHBondContact O-N 3.29Å | ||
| 30 | R | 24.8 | Very low | 32.2 | Very low | 225 Ų | 225 | 130 Ų | 130 | 85% | 0.849 | 72% | 0.724 | S | S | * | * | trans | -55.7 | 100.3 | -176.6 | -76.8 | -178.8 | 174.3 | 174.5 | -2.2 | 111.7 | P28 T32 | P28-R30 PolarHBondContact O-N 3.45Å; P28-R30 VanDerWaalsContact O-N 3.16Å; R30-T32 PolarHBondContact O-N 2.9Å | ||
| 31 | F | 29.5 | Very low | 31.9 | Very low | 186 Ų | 186 | 129.1 Ų | 129.1 | 82% | 0.816 | 71% | 0.708 | S | S | * | * | trans | -78.7 | 61.8 | 172.4 | -116.3 | -87.2 | 0 | 0 | 0 | 111.2 | V29 L35 | V29-F31 PolarHBondContact O-N 3.29Å; F31-L35 HydrophobicContact CD1-CD1 4.2Å | ||
| 32 | T | 29.9 | Very low | 32.1 | Very low | 101 Ų | 101 | 123.7 Ų | 123.7 | 62% | 0.62 | 68% | 0.679 | S | S | * | * | trans | -134.8 | 126.6 | 179.4 | 50.8 | 0 | 0 | 0 | 0 | 111.1 | R30 | R30-T32 PolarHBondContact O-N 2.9Š| ||
| 33 | S | 29.6 | Very low | 31.6 | Very low | 123 Ų | 123 | 119 Ų | 119 | 86% | 0.86 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 97.7 | 14.1 | 173.1 | 82.6 | 0 | 0 | 0 | 0 | 120.5 | ||
| 34 | K | 29.7 | Very low | 31.6 | Very low | 199 Ų | 199 | 113 Ų | 113 | 87% | 0.865 | 62% | 0.619 | S | S | * | * | trans | -132.8 | 25.4 | 160.2 | -73.1 | -165.8 | 178.3 | -179.5 | 0 | 115.8 | N36 | K34-N36 PolarHBondContact O-N 3.28Š| ||
| 35 | L | 28.1 | Very low | 31.6 | Very low | 129 Ų | 129 | 108.2 Ų | 108.2 | 68% | 0.675 | 59% | 0.59 | S | S | * | * | trans | -81.6 | 93.3 | 162.9 | -94.2 | 76.4 | 0 | 0 | 0 | 109.6 | F31 | F31-L35 HydrophobicContact CD1-CD1 4.2Š| ||
| 36 | N | 29.8 | Very low | 31.9 | Very low | 156 Ų | 156 | 101.2 Ų | 101.2 | 83% | 0.834 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -174.6 | 122.4 | 149.8 | -93.3 | -25.8 | 0 | 0 | 0 | 107.5 | K34 | K34-N36 PolarHBondContact O-N 3.28Š|
| 37 | C | 26.5 | Very low | 32.3 | Very low | 119 Ų | 119 | 95.4 Ų | 95.4 | 80% | 0.804 | 52% | 0.519 | S | S | * | . | trans | 88.2 | 54.8 | -167.4 | -60.6 | 0 | 0 | 0 | 0 | 117 | Y41 | C37-Y41 PolarHBondContact O-OH 2.8Š| ||
| 38 | C | 30.1 | Very low | 32.7 | Very low | 94 Ų | 94 | 93.3 Ų | 93.3 | 64% | 0.635 | 50% | 0.498 | S | S | * | . | trans | -115.6 | 82.9 | 160.5 | -72.9 | 0 | 0 | 0 | 0 | 110.8 | Y41 | C38-Y41 WeakPolarHBondContact CA-OH 3.49Š| ||
| 39 | V | 28.2 | Very low | 33.2 | Very low | 97 Ų | 97 | 87.5 Ų | 87.5 | 59% | 0.588 | 46% | 0.46 | S | S | * | . | trans | -130.7 | 67.7 | 174.9 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 40 | F | 31.7 | Very low | 33.5 | Very low | 143 Ų | 143 | 82.9 Ų | 82.9 | 63% | 0.627 | 43% | 0.431 | S | S | * | . | trans | 65.5 | 158.9 | 158.9 | -49.3 | -98.6 | 0 | 0 | 0 | 118.2 | F149 | F40-F149 VanDerWaalsContact C-CE2 3.48Å; F40-F149 HydrophobicContact CB-CD2 3.81Å; F40-F149 HydrophobicContact CB-CE1 3.78Å; F40-F149 HydrophobicContact CB-CE2 3.11Å; F40-F149 HydrophobicContact CB-CZ 3.08Å; F40-F149 HydrophobicContact CG-CE2 4.26Å; F40-F149 HydrophobicContact CG-CZ 4.1Å; F40-F149 WeakPolarHBondContact O-CA 3.47Å; F40-F149 WeakPolarHBondContact O-CD2 3.46Å; F40-F149 WeakPolarHBondContact O-CG 3.49Å | ||
| 41 | Y | 36.6 | Very low | 34.2 | Very low | 45 Ų | 45 | 73.1 Ų | 73.1 | 18% | 0.176 | 40% | 0.395 | C | S | . | . | trans | -150.2 | 86.5 | -146.8 | -62.3 | -78.5 | 0 | 0 | 0 | 122.7 | C37 C38 F149 C152 F161 L169 | C37-Y41 PolarHBondContact O-OH 2.8Å; C38-Y41 WeakPolarHBondContact CA-OH 3.49Å; Y41-F149 VanDerWaalsContact CA-CG 3.48Å; Y41-C152 HydrophobicContact CD1-CB 3.64Å; Y41-C152 HydrophobicContact CE1-CB 3.72Å; Y41-F161 VanDerWaalsContact CB-CE1 3.42Å; Y41-F161 AromaticContact CD1-CE1 3.93Å; Y41-F161 HydrophobicContact CD1-CE1 3.93Å; Y41-F161 AromaticContact CD1-CE2 3.98Å; Y41-F161 HydrophobicContact CD1-CE2 3.98Å; Y41-F161 AromaticContact CD1-CZ 3.37Å; Y41-F161 HydrophobicContact CD1-CZ 3.37Å; Y41-F161 AromaticContact CD2-CD1 3.78Å; Y41-F161 HydrophobicContact CD2-CD1 3.78Å; Y41-F161 AromaticContact CD2-CE1 3.07Å; Y41-F161 HydrophobicContact CD2-CE1 3.07Å; Y41-F161 HydrophobicContact CD2-CE2 4.43Å; Y41-F161 AromaticContact CD2-CZ 3.49Å; Y41-F161 HydrophobicContact CD2-CZ 3.49Å; Y41-F161 VanDerWaalsContact CD2-CZ 3.49Å; Y41-F161 HydrophobicContact CE1-CE1 4.44Å; Y41-F161 AromaticContact CE1-CZ 3.98Å; Y41-F161 HydrophobicContact CE1-CZ 3.98Å; Y41-F161 AromaticContact CE2-CE1 3.7Å; Y41-F161 HydrophobicContact CE2-CE1 3.7Å; Y41-F161 HydrophobicContact CE2-CZ 4.09Å; Y41-F161 AromaticContact CG-CD1 3.93Å; Y41-F161 HydrophobicContact CG-CD1 3.93Å; Y41-F161 HydrophobicContact CG-CD2 4.35Å; Y41-F161 AromaticContact CG-CE1 3.2Å; Y41-F161 HydrophobicContact CG-CE1 3.2Å; Y41-F161 AromaticContact CG-CE2 3.7Å; Y41-F161 HydrophobicContact CG-CE2 3.7Å; Y41-F161 HydrophobicContact CG-CG 4.48Å; Y41-F161 AromaticContact CG-CZ 3.07Å; Y41-F161 HydrophobicContact CG-CZ 3.07Å; Y41-L169 WeakPolarHBondContact O-CD1 3.45Å | ||
| 42 | N | 43.2 | Very low | 34.7 | Very low | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.016 | 37% | 0.372 | C | S | . | . | trans | 175.7 | 146.2 | 156.6 | -120.4 | -93.2 | 0 | 0 | 0 | 123.7 | T45 T146 F149 W159 L169 | N42-T45 PolarHBondContact OD1-OG1 2.86Å; N42-T146 WeakPolarHBondContact O-CB 3.4Å; N42-F149 WeakPolarHBondContact CA-O 3.29Å; N42-F149 PolarHBondContact N-O 3.42Å; N42-F149 VanDerWaalsContact N-O 3.16Å; N42-W159 VanDerWaalsContact CG-CH2 3.45Å; N42-W159 WeakPolarHBondContact ND2-CH2 3.43Å; N42-W159 WeakPolarHBondContact ND2-CZ3 3.16Å; N42-W159 VanDerWaalsContact OD1-CZ3 3.25Å; N42-W159 WeakPolarHBondContact OD1-CZ3 3.48Å; N42-L169 HydrophobicContact CB-CB 3.55Å; N42-L169 HydrophobicContact CB-CD1 3.85Å; N42-L169 HydrophobicContact CB-CG 4.32Å | ||
| 43 | F | 33 | Very low | 35 | Very low | 6 Ų | 6 | 65.1 Ų | 65.1 | 3% | 0.026 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -173.4 | -24.7 | 142.7 | -179.3 | -88.9 | 0 | 0 | 0 | 110.5 | T45 I46 V150 D173 A354 Y358 | F43-T45 PolarHBondContact O-N 3.22Å; F43-I46 HydrophobicContact CD2-CD1 4.16Å; F43-I46 HydrophobicContact CE2-CD1 4.4Å; F43-I46 PolarHBondContact O-N 3.48Å; F43-V150 HydrophobicContact CB-CB 4.02Å; F43-V150 HydrophobicContact CB-CG1 4Å; F43-V150 HydrophobicContact CB-CG2 3.31Å; F43-V150 HydrophobicContact CD1-CG1 4.45Å; F43-V150 HydrophobicContact CG-CG2 4.21Å; F43-D173 WeakPolarHBondContact CD2-OD1 3.43Å; F43-D173 WeakPolarHBondContact CE2-OD1 3.43Å; F43-D173 VanDerWaalsContact CE2-OD2 3.29Å; F43-D173 WeakPolarHBondContact CE2-OD2 3.45Å; F43-A354 HydrophobicContact CE1-CB 3.57Å; F43-A354 HydrophobicContact CZ-CB 4.12Å; F43-Y358 WeakPolarHBondContact CB-OH 3.35Å; F43-Y358 HydrophobicContact CD1-CE2 4.08Å; F43-Y358 HydrophobicContact CD2-CE2 4.1Å; F43-Y358 AromaticContact CD2-CZ 3.7Å; F43-Y358 WeakPolarHBondContact CD2-OH 3.48Å; F43-Y358 HydrophobicContact CE1-CE2 4.16Å; F43-Y358 HydrophobicContact CE2-CE2 4.13Å; F43-Y358 AromaticContact CE2-CZ 3.95Å; F43-Y358 HydrophobicContact CG-CE2 4.07Å; F43-Y358 AromaticContact CG-CZ 3.95Å; F43-Y358 WeakPolarHBondContact CG-OH 3.49Å; F43-Y358 HydrophobicContact CZ-CE2 4.16Å |
| 44 | S | 34.5 | Very low | 35.6 | Very low | 7 Ų | 7 | 62 Ų | 62 | 5% | 0.049 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -51.9 | -36.7 | -175.5 | -173.2 | 0 | 0 | 0 | 0 | 110.9 | I46 N47 T48 T153 | S44-I46 PolarHBondContact O-N 2.97Å; S44-N47 PolarHBondContact O-N 3.23Å; S44-T48 PolarHBondContact O-N 3Å; S44-T48 PolarHBondContact O-OG1 3.42Å; S44-T153 WeakPolarHBondContact CB-OG1 3.45Å |
| 45 | T | 37.8 | Very low | 36 | Very low | 11 Ų | 11 | 56.2 Ų | 56.2 | 7% | 0.067 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.5 | -39.1 | -175.7 | -32.8 | 0 | 0 | 0 | 0 | 111.5 | N42 F43 N47 T48 I49 W159 C247 | N42-T45 PolarHBondContact OD1-OG1 2.86Å; F43-T45 PolarHBondContact O-N 3.22Å; T45-N47 PolarHBondContact O-N 3.46Å; T45-T48 PolarHBondContact O-N 3.37Å; T45-I49 HydrophobicContact CG2-CD1 3.64Å; T45-I49 HydrophobicContact CG2-CG1 4.14Å; T45-I49 VanDerWaalsContact O-CB 3.26Å; T45-I49 WeakPolarHBondContact O-CB 3.33Å; T45-I49 WeakPolarHBondContact O-CD1 3.43Å; T45-I49 WeakPolarHBondContact O-CG1 3.43Å; T45-I49 PolarHBondContact O-N 3.26Å; T45-W159 HydrophobicContact CG2-CE3 3.52Å; T45-W159 HydrophobicContact CG2-CZ3 3.75Å; T45-W159 VanDerWaalsContact OG1-CE3 3.25Å; T45-W159 WeakPolarHBondContact OG1-CZ3 3.47Å; T45-C247 HydrophobicContact CG2-CB 4.11Å |
| 46 | I | 39.6 | Very low | 36.3 | Very low | 18 Ų | 18 | 53.2 Ų | 53.2 | 9% | 0.092 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -52.8 | -53.1 | 175.5 | -64.9 | 174.7 | 0 | 0 | 0 | 110.6 | F43 S44 I49 L50 L170 | F43-I46 HydrophobicContact CD2-CD1 4.16Å; F43-I46 HydrophobicContact CE2-CD1 4.4Å; F43-I46 PolarHBondContact O-N 3.48Å; S44-I46 PolarHBondContact O-N 2.97Å; I46-I49 PolarHBondContact O-N 3.19Å; I46-L50 HydrophobicContact CG2-CD1 3.69Å; I46-L50 WeakPolarHBondContact O-CD1 3.25Å; I46-L50 WeakPolarHBondContact O-CG 3.32Å; I46-L50 PolarHBondContact O-N 3.09Å; I46-L50 VanDerWaalsContact O-N 3.08Å; I46-L170 HydrophobicContact CD1-CD2 4.35Å; I46-L170 HydrophobicContact CD1-CG 3.99Å; I46-L170 HydrophobicContact CG1-CD1 4.45Å; I46-L170 HydrophobicContact CG1-CD2 3.62Å; I46-L170 HydrophobicContact CG1-CG 3.6Å |
| 47 | N | 39.8 | Very low | 36.6 | Very low | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.5 | -38.1 | -179.9 | -83.2 | -19.5 | 0 | 0 | 0 | 112.7 | S44 T45 I49 L50 L51 N350 | S44-N47 PolarHBondContact O-N 3.23Å; T45-N47 PolarHBondContact O-N 3.46Å; N47-I49 PolarHBondContact O-N 3.07Å; N47-L50 PolarHBondContact O-N 3.1Å; N47-L51 VanDerWaalsContact O-CB 3.27Å; N47-L51 WeakPolarHBondContact O-CB 3.49Å; N47-L51 WeakPolarHBondContact O-CG 3.28Å; N47-L51 PolarHBondContact O-N 3.43Å; N47-N350 HydrophobicContact CB-CB 4.29Å; N47-N350 PolarHBondContact ND2-O 3.19Å |
| 48 | T | 42.3 | Very low | 36.9 | Very low | 38 Ų | 38 | 45.5 Ų | 45.5 | 23% | 0.233 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.5 | -31.3 | 174.4 | -50.7 | 0 | 0 | 0 | 0 | 112.1 | S44 T45 L51 Q52 | S44-T48 PolarHBondContact O-N 3Å; S44-T48 PolarHBondContact O-OG1 3.42Å; T45-T48 PolarHBondContact O-N 3.37Å; T48-L51 WeakPolarHBondContact O-CB 3.11Å; T48-Q52 VanDerWaalsContact O-CB 3.29Å; T48-Q52 WeakPolarHBondContact O-CB 3.36Å; T48-Q52 PolarHBondContact O-N 2.85Å |
| 49 | I | 38.9 | Very low | 37.3 | Very low | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -74.7 | -43.9 | 178.7 | -71.1 | 163.2 | 0 | 0 | 0 | 111.7 | T45 I46 N47 L51 Q52 Q53 C247 P249 | T45-I49 HydrophobicContact CG2-CD1 3.64Å; T45-I49 HydrophobicContact CG2-CG1 4.14Å; T45-I49 VanDerWaalsContact O-CB 3.26Å; T45-I49 WeakPolarHBondContact O-CB 3.33Å; T45-I49 WeakPolarHBondContact O-CD1 3.43Å; T45-I49 WeakPolarHBondContact O-CG1 3.43Å; T45-I49 PolarHBondContact O-N 3.26Å; I46-I49 PolarHBondContact O-N 3.19Å; N47-I49 PolarHBondContact O-N 3.07Å; I49-L51 PolarHBondContact O-N 3.41Å; I49-Q52 PolarHBondContact O-N 3.42Å; I49-Q53 WeakPolarHBondContact O-CB 3.43Å; I49-Q53 PolarHBondContact O-N 3.42Å; I49-C247 HydrophobicContact CD1-CB 3.38Å; I49-C247 WeakPolarHBondContact CD1-O 3.45Å; I49-C247 WeakPolarHBondContact CG1-O 3.37Å; I49-P249 VanDerWaalsContact CG2-CD 3.43Å; I49-P249 HydrophobicContact CG2-CG 4.42Å |
| 50 | L | 39.8 | Very low | 37.5 | Very low | 30 Ų | 30 | 46.5 Ų | 46.5 | 16% | 0.157 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.6 | -27.3 | 177.2 | -59.7 | 166.6 | 0 | 0 | 0 | 110.6 | I46 N47 Y256 R346 | I46-L50 HydrophobicContact CG2-CD1 3.69Å; I46-L50 WeakPolarHBondContact O-CD1 3.25Å; I46-L50 WeakPolarHBondContact O-CG 3.32Å; I46-L50 PolarHBondContact O-N 3.09Å; I46-L50 VanDerWaalsContact O-N 3.08Å; N47-L50 PolarHBondContact O-N 3.1Å; L50-Y256 HydrophobicContact CD2-CE1 4.42Å; L50-Y256 WeakPolarHBondContact CD2-OH 3.35Å; L50-R346 PolarHBondContact O-NH2 3.15Å |
| 51 | L | 40.3 | Very low | 37.7 | Very low | 20 Ų | 20 | 44.8 Ų | 44.8 | 11% | 0.105 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.1 | -55 | 163.7 | -76.5 | 170.4 | 0 | 0 | 0 | 111.7 | N47 T48 I49 N55 R346 N350 | N47-L51 VanDerWaalsContact O-CB 3.27Å; N47-L51 WeakPolarHBondContact O-CB 3.49Å; N47-L51 WeakPolarHBondContact O-CG 3.28Å; N47-L51 PolarHBondContact O-N 3.43Å; T48-L51 WeakPolarHBondContact O-CB 3.11Å; I49-L51 PolarHBondContact O-N 3.41Å; L51-N55 PolarHBondContact O-OD1 3.33Å; L51-R346 HydrophobicContact CD2-CG 3.8Å; L51-R346 VanDerWaalsContact CD2-CZ 3.5Å; L51-R346 PolarHBondContact O-NH1 3.41Å; L51-N350 WeakPolarHBondContact CD2-ND2 3.23Å; L51-N350 WeakPolarHBondContact CG-ND2 3.4Å |
| 52 | Q | 39.1 | Very low | 37.8 | Very low | 70 Ų | 70 | 51 Ų | 51 | 33% | 0.327 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -78.3 | -38.6 | -169.8 | -152.9 | 75 | -6.8 | 0 | 0 | 114.4 | T48 I49 R54 N55 D56 K236 M246 | T48-Q52 VanDerWaalsContact O-CB 3.29Å; T48-Q52 WeakPolarHBondContact O-CB 3.36Å; T48-Q52 PolarHBondContact O-N 2.85Å; I49-Q52 PolarHBondContact O-N 3.42Å; Q52-R54 PolarHBondContact O-N 2.65Å; Q52-N55 WeakPolarHBondContact O-CB 3.45Å; Q52-N55 PolarHBondContact O-N 3.13Å; Q52-D56 PolarHBondContact O-N 3.22Å; Q52-K236 HydrophobicContact CG-CD 4.46Å; Q52-M246 HydrophobicContact CG-SD 4.29Å |
| 53 | Q | 37.2 | Very low | 37.4 | Very low | 49 Ų | 49 | 52.9 Ų | 52.9 | 23% | 0.229 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.6 | -34.8 | 172.6 | -94.3 | -159.2 | -21.3 | 0 | 0 | 111.8 | I49 N55 I57 P249 | I49-Q53 WeakPolarHBondContact O-CB 3.43Å; I49-Q53 PolarHBondContact O-N 3.42Å; Q53-N55 VanDerWaalsContact C-N 3.29Å; Q53-N55 PolarHBondContact O-N 3.07Å; Q53-I57 WeakPolarHBondContact O-CB 3.45Å; Q53-I57 WeakPolarHBondContact O-CD1 3.49Å; Q53-I57 WeakPolarHBondContact O-CG1 3.46Å; Q53-I57 PolarHBondContact O-N 3.15Å; Q53-P249 PolarHBondContact NE2-O 3.2Å |
| 54 | R | 42.3 | Very low | 37.8 | Very low | 59 Ų | 59 | 56.3 Ų | 56.3 | 22% | 0.223 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68 | -28.1 | 174.7 | 173.6 | 164.7 | 137.1 | -167 | 2.1 | 112.6 | Q52 G58 L339 R346 | Q52-R54 PolarHBondContact O-N 2.65Å; R54-G58 PolarHBondContact O-N 2.97Å; R54-L339 PolarHBondContact NH2-O 3.01Å; R54-R346 VanDerWaalsContact CD-CZ 3.47Å |
| 55 | N | 37 | Very low | 38.1 | Very low | 76 Ų | 76 | 62.6 Ų | 62.6 | 41% | 0.406 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -75.3 | -51.3 | 176.3 | -66 | -1.8 | 0 | 0 | 0 | 109.8 | L51 Q52 Q53 I57 G58 E59 R346 | L51-N55 PolarHBondContact O-OD1 3.33Å; Q52-N55 WeakPolarHBondContact O-CB 3.45Å; Q52-N55 PolarHBondContact O-N 3.13Å; Q53-N55 VanDerWaalsContact C-N 3.29Å; Q53-N55 PolarHBondContact O-N 3.07Å; N55-I57 PolarHBondContact O-N 2.84Å; N55-G58 CarbonylContact O-C 3.32Å; N55-G58 WeakPolarHBondContact O-CA 3.31Å; N55-G58 PolarHBondContact O-N 3.46Å; N55-G58 VanDerWaalsContact O-N 3.09Å; N55-E59 PolarHBondContact O-N 2.85Å; N55-R346 PolarHBondContact OD1-NH1 3.07Å |
| 56 | D | 33.8 | Very low | 38.4 | Very low | 67 Ų | 67 | 67.5 Ų | 67.5 | 36% | 0.358 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -56.2 | -46.5 | 176.6 | -69.7 | 34.6 | 0 | 0 | 0 | 113.2 | Q52 G58 E59 A60 K236 | Q52-D56 PolarHBondContact O-N 3.22Å; D56-G58 VanDerWaalsContact C-N 3.28Å; D56-G58 PolarHBondContact O-N 3.28Å; D56-E59 PolarHBondContact O-N 3.14Å; D56-A60 WeakPolarHBondContact O-CB 3.3Å; D56-A60 PolarHBondContact O-N 3.41Å; D56-K236 IonicContact OD1-NZ 2.73Å; D56-K236 PolarHBondContact OD1-NZ 3.44Å; D56-K236 WeakPolarHBondContact OD2-CE 3.44Å; D56-K236 IonicContact OD2-NZ 2.71Å; D56-K236 PolarHBondContact OD2-NZ 3.26Å |
| 57 | I | 37.6 | Very low | 38.5 | Very low | 79 Ų | 79 | 74.7 Ų | 74.7 | 41% | 0.405 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.9 | -34.2 | 179.4 | -67.4 | 167.7 | 0 | 0 | 0 | 110.5 | Q53 N55 L61 | Q53-I57 WeakPolarHBondContact O-CB 3.45Å; Q53-I57 WeakPolarHBondContact O-CD1 3.49Å; Q53-I57 WeakPolarHBondContact O-CG1 3.46Å; Q53-I57 PolarHBondContact O-N 3.15Å; N55-I57 PolarHBondContact O-N 2.84Å; I57-L61 HydrophobicContact CG2-CD1 4.02Å; I57-L61 WeakPolarHBondContact O-CB 3.47Å; I57-L61 WeakPolarHBondContact O-CD1 3.23Å; I57-L61 WeakPolarHBondContact O-CG 3.5Å; I57-L61 PolarHBondContact O-N 3Å |
| 58 | G | 32.7 | Very low | 38.5 | Very low | 33 Ų | 33 | 82 Ų | 82 | 34% | 0.34 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R54 N55 D56 R62 | R54-G58 PolarHBondContact O-N 2.97Å; N55-G58 CarbonylContact O-C 3.32Å; N55-G58 WeakPolarHBondContact O-CA 3.31Å; N55-G58 PolarHBondContact O-N 3.46Å; N55-G58 VanDerWaalsContact O-N 3.09Å; D56-G58 VanDerWaalsContact C-N 3.28Å; D56-G58 PolarHBondContact O-N 3.28Å; G58-R62 WeakPolarHBondContact O-CB 3.29Å; G58-R62 PolarHBondContact O-N 3.34Å |
| 59 | E | 37.3 | Very low | 38.2 | Very low | 145 Ų | 145 | 85.6 Ų | 85.6 | 68% | 0.678 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -74.2 | -40.2 | 176.1 | -72.7 | -172.9 | 168.7 | 0 | 0 | 112.4 | N55 D56 L61 R62 G63 | N55-E59 PolarHBondContact O-N 2.85Å; D56-E59 PolarHBondContact O-N 3.14Å; E59-L61 VanDerWaalsContact C-N 3.33Å; E59-L61 PolarHBondContact O-N 3.44Å; E59-R62 CarbonylContact O-C 3.6Å; E59-R62 PolarHBondContact O-N 3.33Å; E59-R62 VanDerWaalsContact O-N 3.17Å; E59-G63 PolarHBondContact O-N 2.92Å |
| 60 | A | 33.5 | Very low | 37.9 | Very low | 68 Ų | 68 | 92 Ų | 92 | 56% | 0.562 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.3 | -40.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | D56 G63 A64 | D56-A60 WeakPolarHBondContact O-CB 3.3Å; D56-A60 PolarHBondContact O-N 3.41Å; A60-G63 PolarHBondContact O-N 3.25Å; A60-A64 WeakPolarHBondContact O-CB 3.32Å; A60-A64 PolarHBondContact O-N 3.02Å |
| 61 | L | 35.7 | Very low | 38 | Very low | 107 Ų | 107 | 96.4 Ų | 96.4 | 56% | 0.56 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.4 | -34.7 | 173.4 | -77.6 | 165.4 | 0 | 0 | 0 | 112.7 | I57 E59 M65 | I57-L61 HydrophobicContact CG2-CD1 4.02Å; I57-L61 WeakPolarHBondContact O-CB 3.47Å; I57-L61 WeakPolarHBondContact O-CD1 3.23Å; I57-L61 WeakPolarHBondContact O-CG 3.5Å; I57-L61 PolarHBondContact O-N 3Å; E59-L61 VanDerWaalsContact C-N 3.33Å; E59-L61 PolarHBondContact O-N 3.44Å; L61-M65 WeakPolarHBondContact O-CG 3.24Å; L61-M65 PolarHBondContact O-N 3.47Å; L61-M65 VanDerWaalsContact O-N 3.17Å |
| 62 | R | 37.8 | Very low | 37.5 | Very low | 175 Ų | 175 | 103 Ų | 103 | 66% | 0.66 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67 | -42 | 171.5 | -95.7 | -175.4 | 166 | -147.4 | -5 | 112.4 | G58 E59 A64 M65 N66 | G58-R62 WeakPolarHBondContact O-CB 3.29Å; G58-R62 PolarHBondContact O-N 3.34Å; E59-R62 CarbonylContact O-C 3.6Å; E59-R62 PolarHBondContact O-N 3.33Å; E59-R62 VanDerWaalsContact O-N 3.17Å; R62-A64 VanDerWaalsContact C-N 3.33Å; R62-A64 PolarHBondContact O-N 3.49Å; R62-M65 PolarHBondContact O-N 3.4Å; R62-N66 WeakPolarHBondContact O-CB 3.28Å; R62-N66 PolarHBondContact O-N 3.03Å |
| 63 | G | 36.1 | Very low | 37.4 | Very low | 43 Ų | 43 | 107.8 Ų | 107.8 | 44% | 0.443 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.5 | -42.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | E59 A60 M65 N66 | E59-G63 PolarHBondContact O-N 2.92Å; A60-G63 PolarHBondContact O-N 3.25Å; G63-M65 VanDerWaalsContact C-N 3.33Å; G63-M65 PolarHBondContact O-N 2.98Å; G63-N66 PolarHBondContact O-N 3.39Å |
| 64 | A | 40.7 | Very low | 37 | Very low | 77 Ų | 77 | 112.7 Ų | 112.7 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.3 | -29.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | A60 R62 | A60-A64 WeakPolarHBondContact O-CB 3.32Å; A60-A64 PolarHBondContact O-N 3.02Å; R62-A64 VanDerWaalsContact C-N 3.33Å; R62-A64 PolarHBondContact O-N 3.49Å |
| 65 | M | 41.8 | Very low | 36.9 | Very low | 140 Ų | 140 | 116.4 Ų | 116.4 | 69% | 0.69 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -86.8 | -24.7 | 176.4 | -69.3 | -172.3 | -54.3 | 0 | 0 | 114 | L61 R62 G63 | L61-M65 WeakPolarHBondContact O-CG 3.24Å; L61-M65 PolarHBondContact O-N 3.47Å; L61-M65 VanDerWaalsContact O-N 3.17Å; R62-M65 PolarHBondContact O-N 3.4Å; G63-M65 VanDerWaalsContact C-N 3.33Å; G63-M65 PolarHBondContact O-N 2.98Å |
| 66 | N | 42.8 | Very low | 36.7 | Very low | 114 Ų | 114 | 118 Ų | 118 | 61% | 0.61 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -87.7 | 0.5 | -175 | -78.1 | 3.1 | 0 | 0 | 0 | 114.4 | R62 G63 N68 | R62-N66 WeakPolarHBondContact O-CB 3.28Å; R62-N66 PolarHBondContact O-N 3.03Å; G63-N66 PolarHBondContact O-N 3.39Å; N66-N68 PolarHBondContact O-N 2.9Å |
| 67 | H | 42.7 | Very low | 36.8 | Very low | 168 Ų | 168 | 122.7 Ų | 122.7 | 78% | 0.778 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 11.1 | -174.8 | -139.4 | -57.9 | 0 | 0 | 0 | 115 | ||
| 68 | N | 39.8 | Very low | 36.8 | Very low | 158 Ų | 158 | 124.7 Ų | 124.7 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.3 | 15.3 | -168.8 | -121.9 | 26.8 | 0 | 0 | 0 | 115.6 | N66 | N66-N68 PolarHBondContact O-N 2.9Š|
| 69 | S | 34.6 | Very low | 36.7 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | trans | -136.2 | 121.9 | 173.6 | -67 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 70 | T | 34.4 | Very low | 37.2 | Very low | 141 Ų | 141 | 126.1 Ų | 126.1 | 87% | 0.865 | 73% | 0.733 | S | S | * | * | trans | -72.2 | 142.7 | -178.7 | 33.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 71 | V | 41.2 | Very low | 37.6 | Very low | 121 Ų | 121 | 131 Ų | 131 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | -1.9 | 128.5 | 152.5 | -178.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 72 | N | 29.8 | Very low | 37.9 | Very low | 158 Ų | 158 | 131 Ų | 131 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | -155.1 | 131.3 | 126.4 | -99.4 | -21.5 | 0 | 0 | 0 | 110.5 | |||||
| 73 | Q | 36.9 | Very low | 38.4 | Very low | 171 Ų | 171 | 124.8 Ų | 124.8 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | trans | -104.3 | 119.4 | 180 | -74 | -176 | -16 | 0 | 0 | 110.6 | ||||
| 74 | N | 28.2 | Very low | 38.9 | Very low | 152 Ų | 152 | 127.4 Ų | 127.4 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | -117.3 | 111.9 | 163.4 | -68.3 | 28.8 | 0 | 0 | 0 | 107.7 | ||||
| 75 | V | 41 | Very low | 39.6 | Very low | 138 Ų | 138 | 125.9 Ų | 125.9 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | trans | -77.4 | 125.6 | -178.3 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 76 | S | 33 | Very low | 40.5 | Very low | 109 Ų | 109 | 121.9 Ų | 121.9 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | trans | -127.7 | 133.9 | 166.4 | 54.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 77 | L | 34.8 | Very low | 41.5 | Very low | 165 Ų | 165 | 122.1 Ų | 122.1 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 141.9 | -175.1 | -70 | 154.7 | 0 | 0 | 0 | 111.5 | ||
| 78 | P | 37.6 | Very low | 42.7 | Very low | 121 Ų | 121 | 117.9 Ų | 117.9 | 79% | 0.786 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 128.6 | 178.4 | 30.7 | -33.4 | 0 | 0 | 0 | 111.7 | ||
| 79 | A | 30.6 | Very low | 44.1 | Very low | 94 Ų | 94 | 114.5 Ų | 114.5 | 78% | 0.777 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -78 | 130.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 80 | P | 47.8 | Very low | 45.6 | Very low | 114 Ų | 114 | 111.6 Ų | 111.6 | 74% | 0.74 | 68% | 0.68 | S | S | * | * | trans | -86.3 | 115.2 | 174.9 | 32.3 | -29.9 | 0 | 0 | 0 | 110.3 | ||||
| 81 | N | 41.6 | Very low | 47.4 | Very low | 170 Ų | 170 | 110.1 Ų | 110.1 | 91% | 0.909 | 67% | 0.667 | S | S | * | * | trans | 175.6 | 73.7 | 149.4 | -91.5 | -24.1 | 0 | 0 | 0 | 112.4 | ||||
| 82 | S | 42.4 | Very low | 49.1 | Very low | 108 Ų | 108 | 108.2 Ų | 108.2 | 76% | 0.755 | 66% | 0.655 | S | S | * | * | trans | -151.7 | 16.3 | 173.5 | 52.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 83 | G | 48.4 | Very low | 51.1 | Low | 45 Ų | 45 | 102.7 Ų | 102.7 | 46% | 0.464 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -94.5 | -23.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | S86 I87 | G83-S86 PolarHBondContact O-OG 3.11Å; G83-I87 WeakPolarHBondContact O-CD1 3.49Å; G83-I87 WeakPolarHBondContact O-CG1 3.46Å |
| 84 | S | 46.7 | Very low | 52.7 | Low | 97 Ų | 97 | 94.8 Ų | 94.8 | 68% | 0.678 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -80 | -49.4 | -170.7 | -170.3 | 0 | 0 | 0 | 0 | 113.2 | S86 I87 V88 | S84-S86 PolarHBondContact O-N 3.39Å; S84-I87 PolarHBondContact O-N 3.22Å; S84-V88 PolarHBondContact O-N 3.21Å |
| 85 | G | 56.2 | Low | 55 | Low | 45 Ų | 45 | 90.4 Ų | 90.4 | 46% | 0.464 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63 | -40.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I87 V88 D89 | G85-I87 VanDerWaalsContact C-N 3.34Å; G85-I87 PolarHBondContact O-N 3.14Å; G85-V88 PolarHBondContact O-N 3.27Å; G85-D89 PolarHBondContact O-N 3.09Å |
| 86 | S | 60.8 | Low | 56.9 | Low | 56 Ų | 56 | 88 Ų | 88 | 39% | 0.392 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.2 | -33.7 | -179.7 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | G83 S84 E90 | G83-S86 PolarHBondContact O-OG 3.11Å; S84-S86 PolarHBondContact O-N 3.39Å; S86-E90 WeakPolarHBondContact O-CB 3.24Å; S86-E90 WeakPolarHBondContact O-CG 3.45Å; S86-E90 PolarHBondContact O-N 2.91Å; S86-E90 VanDerWaalsContact O-N 3.1Å |
| 87 | I | 62.8 | Low | 59.1 | Low | 119 Ų | 119 | 83.4 Ų | 83.4 | 61% | 0.61 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -72.1 | -40.4 | 176.4 | -66.2 | 174.1 | 0 | 0 | 0 | 110.9 | G83 S84 G85 L91 | G83-I87 WeakPolarHBondContact O-CD1 3.49Å; G83-I87 WeakPolarHBondContact O-CG1 3.46Å; S84-I87 PolarHBondContact O-N 3.22Å; G85-I87 VanDerWaalsContact C-N 3.34Å; G85-I87 PolarHBondContact O-N 3.14Å; I87-L91 VanDerWaalsContact O-CB 3.29Å; I87-L91 WeakPolarHBondContact O-CB 3.47Å; I87-L91 PolarHBondContact O-N 2.88Å |
| 88 | V | 67.3 | Low | 61.1 | Low | 80 Ų | 80 | 75.7 Ų | 75.7 | 49% | 0.485 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.1 | -46.3 | 177 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | S84 G85 E90 L91 V92 | S84-V88 PolarHBondContact O-N 3.21Å; G85-V88 PolarHBondContact O-N 3.27Å; V88-E90 PolarHBondContact O-N 3.33Å; V88-L91 PolarHBondContact O-N 3.49Å; V88-V92 HydrophobicContact CG1-CG2 4.27Å; V88-V92 WeakPolarHBondContact O-CB 3.44Å; V88-V92 VanDerWaalsContact O-CG2 3.3Å; V88-V92 WeakPolarHBondContact O-CG2 3.24Å; V88-V92 PolarHBondContact O-N 3.13Å |
| 89 | D | 69.4 | Low | 63.3 | Low | 86 Ų | 86 | 73.9 Ų | 73.9 | 46% | 0.46 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 177.4 | -73.8 | -18.6 | 0 | 0 | 0 | 111.8 | G85 L91 V92 I93 | G85-D89 PolarHBondContact O-N 3.09Å; D89-L91 VanDerWaalsContact C-N 3.33Å; D89-L91 PolarHBondContact O-N 3.35Å; D89-V92 PolarHBondContact O-N 3.2Å; D89-I93 WeakPolarHBondContact O-CB 3.4Å; D89-I93 WeakPolarHBondContact O-CD1 3.43Å; D89-I93 WeakPolarHBondContact O-CG1 3.41Å; D89-I93 PolarHBondContact O-N 3.38Å |
| 90 | E | 67.9 | Low | 66 | Low | 53 Ų | 53 | 73.1 Ų | 73.1 | 25% | 0.248 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 176.4 | -81.1 | -76.2 | 144.1 | 0 | 0 | 112 | S86 V88 T94 | S86-E90 WeakPolarHBondContact O-CB 3.24Å; S86-E90 WeakPolarHBondContact O-CG 3.45Å; S86-E90 PolarHBondContact O-N 2.91Å; S86-E90 VanDerWaalsContact O-N 3.1Å; V88-E90 PolarHBondContact O-N 3.33Å; E90-T94 VanDerWaalsContact O-CB 3.25Å; E90-T94 WeakPolarHBondContact O-CB 3.4Å; E90-T94 PolarHBondContact O-N 3.47Å; E90-T94 PolarHBondContact O-OG1 3.46Å |
| 91 | L | 71.2 | Confident | 67.7 | Low | 111 Ų | 111 | 67.7 Ų | 67.7 | 58% | 0.581 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -67.9 | -41.6 | 177.8 | -178.5 | 64 | 0 | 0 | 0 | 112.3 | I87 V88 D89 T94 S95 | I87-L91 VanDerWaalsContact O-CB 3.29Å; I87-L91 WeakPolarHBondContact O-CB 3.47Å; I87-L91 PolarHBondContact O-N 2.88Å; V88-L91 PolarHBondContact O-N 3.49Å; D89-L91 VanDerWaalsContact C-N 3.33Å; D89-L91 PolarHBondContact O-N 3.35Å; L91-T94 WeakPolarHBondContact O-CB 3.11Å; L91-T94 PolarHBondContact O-N 2.83Å; L91-S95 WeakPolarHBondContact O-CB 3.48Å; L91-S95 PolarHBondContact O-N 3.14Å |
| 92 | V | 76.4 | Confident | 69.8 | Low | 80 Ų | 80 | 62 Ų | 62 | 49% | 0.485 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.1 | -50.4 | 176.7 | 169.4 | 0 | 0 | 0 | 0 | 110.1 | V88 D89 T94 S95 T96 | V88-V92 HydrophobicContact CG1-CG2 4.27Å; V88-V92 WeakPolarHBondContact O-CB 3.44Å; V88-V92 VanDerWaalsContact O-CG2 3.3Å; V88-V92 WeakPolarHBondContact O-CG2 3.24Å; V88-V92 PolarHBondContact O-N 3.13Å; D89-V92 PolarHBondContact O-N 3.2Å; V92-T94 PolarHBondContact O-N 2.86Å; V92-S95 PolarHBondContact O-N 3.11Å; V92-T96 WeakPolarHBondContact O-CB 3.37Å; V92-T96 PolarHBondContact O-N 2.93Å; V92-T96 PolarHBondContact O-OG1 2.93Å; V92-T96 VanDerWaalsContact O-OG1 3.05Å |
| 93 | I | 71.8 | Confident | 72 | Confident | 43 Ų | 43 | 60.7 Ų | 60.7 | 22% | 0.221 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56 | -41.9 | 174.7 | -66.6 | 164.6 | 0 | 0 | 0 | 110.4 | D89 F97 Y351 | D89-I93 WeakPolarHBondContact O-CB 3.4Å; D89-I93 WeakPolarHBondContact O-CD1 3.43Å; D89-I93 WeakPolarHBondContact O-CG1 3.41Å; D89-I93 PolarHBondContact O-N 3.38Å; I93-F97 WeakPolarHBondContact O-CB 3.47Å; I93-F97 PolarHBondContact O-N 2.92Å; I93-Y351 HydrophobicContact CG2-CD2 3.91Å; I93-Y351 HydrophobicContact CG2-CE2 3.76Å |
| 94 | T | 71.4 | Confident | 74 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.4 | -50.9 | 178.3 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | E90 L91 V92 G98 Y154 F155 | E90-T94 VanDerWaalsContact O-CB 3.25Å; E90-T94 WeakPolarHBondContact O-CB 3.4Å; E90-T94 PolarHBondContact O-N 3.47Å; E90-T94 PolarHBondContact O-OG1 3.46Å; L91-T94 WeakPolarHBondContact O-CB 3.11Å; L91-T94 PolarHBondContact O-N 2.83Å; V92-T94 PolarHBondContact O-N 2.86Å; T94-G98 PolarHBondContact O-N 3.49Å; T94-Y154 VanDerWaalsContact CA-CE1 3.45Å; T94-Y154 VanDerWaalsContact CA-OH 3.32Å; T94-Y154 WeakPolarHBondContact CA-OH 3.35Å; T94-Y154 HydrophobicContact CG2-CD1 3.89Å; T94-Y154 HydrophobicContact CG2-CE1 3.68Å; T94-Y154 HydrophobicContact CG2-CE2 4.28Å; T94-Y154 HydrophobicContact CG2-CG 4.33Å; T94-Y154 PolarHBondContact OG1-OH 2.92Å; T94-F155 HydrophobicContact CG2-CD1 3.83Å; T94-F155 HydrophobicContact CG2-CE1 3.74Å; T94-F155 HydrophobicContact CG2-CZ 4.43Å |
| 95 | S | 76.9 | Confident | 76 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 42% | 0.42 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.5 | -45.5 | -179.1 | -174.3 | 0 | 0 | 0 | 0 | 112.4 | L91 V92 F97 G98 T99 | L91-S95 WeakPolarHBondContact O-CB 3.48Å; L91-S95 PolarHBondContact O-N 3.14Å; V92-S95 PolarHBondContact O-N 3.11Å; S95-F97 PolarHBondContact O-N 2.98Å; S95-G98 PolarHBondContact O-N 3.05Å; S95-T99 WeakPolarHBondContact O-CB 3.41Å; S95-T99 PolarHBondContact O-N 3.28Å; S95-T99 PolarHBondContact O-OG1 3.43Å |
| 96 | T | 80.7 | Confident | 77.6 | Confident | 87 Ų | 87 | 61 Ų | 61 | 53% | 0.534 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 178.6 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | V92 T99 L100 | V92-T96 WeakPolarHBondContact O-CB 3.37Å; V92-T96 PolarHBondContact O-N 2.93Å; V92-T96 PolarHBondContact O-OG1 2.93Å; V92-T96 VanDerWaalsContact O-OG1 3.05Å; T96-T99 PolarHBondContact O-N 2.88Å; T96-L100 WeakPolarHBondContact O-CB 3.48Å; T96-L100 PolarHBondContact O-N 3.2Å |
| 97 | F | 77.9 | Confident | 79.1 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 5% | 0.053 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.8 | -43.5 | 178.5 | 179.9 | -111.9 | 0 | 0 | 0 | 112.5 | I93 S95 T99 L100 L101 V150 Y154 Y351 | I93-F97 WeakPolarHBondContact O-CB 3.47Å; I93-F97 PolarHBondContact O-N 2.92Å; S95-F97 PolarHBondContact O-N 2.98Å; F97-T99 VanDerWaalsContact C-N 3.29Å; F97-T99 PolarHBondContact O-N 3.1Å; F97-L100 PolarHBondContact O-N 3.29Å; F97-L101 HydrophobicContact CD1-CD1 4.11Å; F97-L101 HydrophobicContact CD2-CG 4.3Å; F97-L101 HydrophobicContact CE1-CD1 3.44Å; F97-L101 VanDerWaalsContact CE1-CD1 3.44Å; F97-L101 HydrophobicContact CE1-CG 4.16Å; F97-L101 HydrophobicContact CE2-CD1 3.97Å; F97-L101 HydrophobicContact CE2-CD2 4.24Å; F97-L101 HydrophobicContact CE2-CG 3.88Å; F97-L101 HydrophobicContact CZ-CD1 3.36Å; F97-L101 HydrophobicContact CZ-CD2 4.31Å; F97-L101 HydrophobicContact CZ-CG 3.83Å; F97-L101 WeakPolarHBondContact O-CB 3.47Å; F97-L101 PolarHBondContact O-N 2.87Å; F97-V150 HydrophobicContact CE1-CG1 4Å; F97-V150 HydrophobicContact CZ-CG1 4.44Å; F97-Y154 HydrophobicContact CB-CE1 4.14Å; F97-Y154 AromaticContact CD1-CD1 3.71Å; F97-Y154 HydrophobicContact CD1-CD1 3.71Å; F97-Y154 AromaticContact CD1-CE1 3.59Å; F97-Y154 HydrophobicContact CD1-CE1 3.59Å; F97-Y154 HydrophobicContact CE1-CD1 4.33Å; F97-Y154 HydrophobicContact CE1-CE1 4.47Å; F97-Y154 HydrophobicContact CG-CE1 4.3Å; F97-Y351 AromaticContact CD1-CD1 3.96Å; F97-Y351 HydrophobicContact CD1-CD1 3.96Å; F97-Y351 HydrophobicContact CD1-CE1 4.21Å; F97-Y351 HydrophobicContact CD1-CG 4.36Å; F97-Y351 HydrophobicContact CD2-CD1 4.07Å; F97-Y351 AromaticContact CD2-CG 3.9Å; F97-Y351 HydrophobicContact CD2-CG 3.9Å; F97-Y351 AromaticContact CE1-CD1 3.7Å; F97-Y351 HydrophobicContact CE1-CD1 3.7Å; F97-Y351 HydrophobicContact CE1-CE1 4.02Å; F97-Y351 HydrophobicContact CE1-CG 4.45Å; F97-Y351 AromaticContact CE2-CD1 3.83Å; F97-Y351 HydrophobicContact CE2-CD1 3.83Å; F97-Y351 HydrophobicContact CE2-CG 4.01Å; F97-Y351 HydrophobicContact CG-CD1 4.12Å; F97-Y351 HydrophobicContact CG-CG 4.06Å; F97-Y351 AromaticContact CZ-CD1 3.61Å; F97-Y351 HydrophobicContact CZ-CD1 3.61Å; F97-Y351 HydrophobicContact CZ-CE1 4.35Å; F97-Y351 HydrophobicContact CZ-CG 4.26Å |
| 98 | G | 77.7 | Confident | 80.5 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.3 | -40.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | T94 S95 S102 | T94-G98 PolarHBondContact O-N 3.49Å; S95-G98 PolarHBondContact O-N 3.05Å; G98-S102 WeakPolarHBondContact O-CB 3.43Å; G98-S102 PolarHBondContact O-N 3.33Å; G98-S102 PolarHBondContact O-OG 3.42Å |
| 99 | T | 83.9 | Confident | 81.6 | Confident | 83 Ų | 83 | 53.5 Ų | 53.5 | 51% | 0.509 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65 | -49 | 175.2 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | S95 T96 F97 L101 S102 V103 | S95-T99 WeakPolarHBondContact O-CB 3.41Å; S95-T99 PolarHBondContact O-N 3.28Å; S95-T99 PolarHBondContact O-OG1 3.43Å; T96-T99 PolarHBondContact O-N 2.88Å; F97-T99 VanDerWaalsContact C-N 3.29Å; F97-T99 PolarHBondContact O-N 3.1Å; T99-L101 PolarHBondContact O-N 3.41Å; T99-S102 WeakPolarHBondContact O-CB 3.34Å; T99-S102 PolarHBondContact O-N 2.92Å; T99-V103 PolarHBondContact O-N 3.27Å |
| 100 | L | 86.7 | Confident | 82.7 | Confident | 78 Ų | 78 | 53.7 Ų | 53.7 | 41% | 0.408 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61 | -47.5 | -178.9 | -179.5 | 61.1 | 0 | 0 | 0 | 111.9 | T96 F97 S102 V103 V104 C355 | T96-L100 WeakPolarHBondContact O-CB 3.48Å; T96-L100 PolarHBondContact O-N 3.2Å; F97-L100 PolarHBondContact O-N 3.29Å; L100-S102 VanDerWaalsContact C-N 3.32Å; L100-S102 PolarHBondContact O-N 2.97Å; L100-V103 PolarHBondContact O-N 3.11Å; L100-V104 WeakPolarHBondContact O-CG2 3.3Å; L100-V104 PolarHBondContact O-N 3.37Å; L100-C355 HydrophobicContact CD2-CB 4.17Å; L100-C355 WeakPolarHBondContact CD2-SG 3.34Å; L100-C355 VanDerWaalsContact CG-SG 3.54Å |
| 101 | L | 83.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 174.8 | -79.8 | -169.3 | 0 | 0 | 0 | 112.3 | F97 T99 V103 V104 Y105 I147 V150 V151 Y358 | F97-L101 HydrophobicContact CD1-CD1 4.11Å; F97-L101 HydrophobicContact CD2-CG 4.3Å; F97-L101 HydrophobicContact CE1-CD1 3.44Å; F97-L101 VanDerWaalsContact CE1-CD1 3.44Å; F97-L101 HydrophobicContact CE1-CG 4.16Å; F97-L101 HydrophobicContact CE2-CD1 3.97Å; F97-L101 HydrophobicContact CE2-CD2 4.24Å; F97-L101 HydrophobicContact CE2-CG 3.88Å; F97-L101 HydrophobicContact CZ-CD1 3.36Å; F97-L101 HydrophobicContact CZ-CD2 4.31Å; F97-L101 HydrophobicContact CZ-CG 3.83Å; F97-L101 WeakPolarHBondContact O-CB 3.47Å; F97-L101 PolarHBondContact O-N 2.87Å; T99-L101 PolarHBondContact O-N 3.41Å; L101-V103 VanDerWaalsContact C-N 3.33Å; L101-V103 PolarHBondContact O-N 2.83Å; L101-V104 PolarHBondContact O-N 3.46Å; L101-Y105 WeakPolarHBondContact O-CB 3.3Å; L101-Y105 PolarHBondContact O-N 2.85Å; L101-I147 HydrophobicContact CB-CG2 3.77Å; L101-I147 HydrophobicContact CD1-CG2 4.41Å; L101-I147 HydrophobicContact CD2-CG2 4.43Å; L101-I147 HydrophobicContact CG-CG2 4.44Å; L101-I147 WeakPolarHBondContact O-CG2 3.38Å; L101-V150 HydrophobicContact CD1-CB 3.78Å; L101-V150 HydrophobicContact CD1-CG1 3.72Å; L101-V150 HydrophobicContact CD1-CG2 3.81Å; L101-V151 HydrophobicContact CB-CG2 3.96Å; L101-V151 HydrophobicContact CD1-CG2 3.99Å; L101-Y358 HydrophobicContact CD2-CD2 3.74Å; L101-Y358 HydrophobicContact CD2-CE2 4.22Å |
| 102 | S | 85.9 | Confident | 84.8 | Confident | 51 Ų | 51 | 46.7 Ų | 46.7 | 36% | 0.357 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 176.9 | -60 | 0 | 0 | 0 | 0 | 112.2 | G98 T99 L100 Y105 I106 | G98-S102 WeakPolarHBondContact O-CB 3.43Å; G98-S102 PolarHBondContact O-N 3.33Å; G98-S102 PolarHBondContact O-OG 3.42Å; T99-S102 WeakPolarHBondContact O-CB 3.34Å; T99-S102 PolarHBondContact O-N 2.92Å; L100-S102 VanDerWaalsContact C-N 3.32Å; L100-S102 PolarHBondContact O-N 2.97Å; S102-Y105 PolarHBondContact O-N 3.23Å; S102-I106 VanDerWaalsContact O-CG1 3.29Å; S102-I106 WeakPolarHBondContact O-CG1 3.37Å; S102-I106 PolarHBondContact O-N 3.44Å |
| 103 | V | 89.1 | Confident | 85.5 | Confident | 81 Ų | 81 | 46.1 Ų | 46.1 | 49% | 0.491 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 173.5 | 173.4 | 0 | 0 | 0 | 0 | 111 | T99 L100 L101 Y105 I106 V107 | T99-V103 PolarHBondContact O-N 3.27Å; L100-V103 PolarHBondContact O-N 3.11Å; L101-V103 VanDerWaalsContact C-N 3.33Å; L101-V103 PolarHBondContact O-N 2.83Å; V103-Y105 VanDerWaalsContact C-N 3.33Å; V103-Y105 PolarHBondContact O-N 3.1Å; V103-I106 PolarHBondContact O-N 3.21Å; V103-V107 HydrophobicContact CG1-CG2 4.31Å; V103-V107 WeakPolarHBondContact O-CB 3.06Å; V103-V107 WeakPolarHBondContact O-CG2 3.13Å; V103-V107 PolarHBondContact O-N 2.87Å |
| 104 | V | 89.1 | Confident | 86.4 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 9% | 0.085 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.1 | -44 | 177.2 | 172.1 | 0 | 0 | 0 | 0 | 111 | L100 L101 G108 I147 C362 | L100-V104 WeakPolarHBondContact O-CG2 3.3Å; L100-V104 PolarHBondContact O-N 3.37Å; L101-V104 PolarHBondContact O-N 3.46Å; V104-G108 PolarHBondContact O-N 3.47Å; V104-I147 HydrophobicContact CG1-CD1 3.95Å; V104-C362 PolarHBondContact O-SG 3.19Å |
| 105 | Y | 88.8 | Confident | 87.1 | Confident | 77 Ų | 77 | 50.3 Ų | 50.3 | 30% | 0.302 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.6 | -53.1 | 174 | 174.5 | -105.9 | 0 | 0 | 0 | 112.5 | L101 S102 V103 V107 G108 V109 L144 I147 P148 | L101-Y105 WeakPolarHBondContact O-CB 3.3Å; L101-Y105 PolarHBondContact O-N 2.85Å; S102-Y105 PolarHBondContact O-N 3.23Å; V103-Y105 VanDerWaalsContact C-N 3.33Å; V103-Y105 PolarHBondContact O-N 3.1Å; Y105-V107 PolarHBondContact O-N 2.94Å; Y105-G108 PolarHBondContact O-N 3.29Å; Y105-V109 HydrophobicContact CD2-CG2 3.77Å; Y105-V109 HydrophobicContact CE2-CG2 3.52Å; Y105-V109 HydrophobicContact CG-CG2 4.43Å; Y105-V109 WeakPolarHBondContact O-CB 3.44Å; Y105-V109 WeakPolarHBondContact O-CG2 3.38Å; Y105-V109 PolarHBondContact O-N 3.08Å; Y105-L144 VanDerWaalsContact CD2-O 3.29Å; Y105-L144 WeakPolarHBondContact CD2-O 3.42Å; Y105-I147 HydrophobicContact CD2-CB 4.06Å; Y105-I147 HydrophobicContact CG-CB 4.42Å; Y105-P148 HydrophobicContact CD1-CG 4.22Å; Y105-P148 HydrophobicContact CD2-CG 3.86Å; Y105-P148 HydrophobicContact CE1-CG 3.99Å; Y105-P148 HydrophobicContact CE2-CG 3.58Å; Y105-P148 HydrophobicContact CG-CG 4.16Å |
| 106 | I | 90.9 | Very high | 87.7 | Confident | 103 Ų | 103 | 49 Ų | 49 | 53% | 0.528 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.8 | -48 | -177.6 | -68.1 | 164.9 | 0 | 0 | 0 | 110.9 | S102 V103 T110 | S102-I106 VanDerWaalsContact O-CG1 3.29Å; S102-I106 WeakPolarHBondContact O-CG1 3.37Å; S102-I106 PolarHBondContact O-N 3.44Å; V103-I106 PolarHBondContact O-N 3.21Å; I106-T110 WeakPolarHBondContact O-CB 3.4Å; I106-T110 PolarHBondContact O-N 2.91Å; I106-T110 VanDerWaalsContact O-N 3.07Å; I106-T110 PolarHBondContact O-OG1 3.25Å |
| 107 | V | 92.1 | Very high | 88 | Confident | 62 Ų | 62 | 49 Ų | 49 | 38% | 0.376 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.7 | -47.8 | 179.5 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | V103 Y105 G111 C362 F366 | V103-V107 HydrophobicContact CG1-CG2 4.31Å; V103-V107 WeakPolarHBondContact O-CB 3.06Å; V103-V107 WeakPolarHBondContact O-CG2 3.13Å; V103-V107 PolarHBondContact O-N 2.87Å; Y105-V107 PolarHBondContact O-N 2.94Å; V107-G111 PolarHBondContact O-N 3.32Å; V107-C362 HydrophobicContact CG1-CB 4.23Å; V107-F366 HydrophobicContact CG1-CE2 4.14Å; V107-F366 HydrophobicContact CG1-CZ 4.33Å |
| 108 | G | 91.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65 | -46.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V104 Y105 G111 N112 L144 C362 | V104-G108 PolarHBondContact O-N 3.47Å; Y105-G108 PolarHBondContact O-N 3.29Å; G108-G111 PolarHBondContact O-N 2.88Å; G108-N112 WeakPolarHBondContact O-CB 3.13Å; G108-N112 PolarHBondContact O-N 3.21Å; G108-N112 PolarHBondContact O-ND2 3.33Å; G108-L144 VanDerWaalsContact CA-CD1 3.48Å; G108-C362 WeakPolarHBondContact CA-SG 3.35Å |
| 109 | V | 91.6 | Very high | 88.4 | Confident | 35 Ų | 35 | 49.6 Ų | 49.6 | 21% | 0.212 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.2 | -48.3 | 179.2 | 171.3 | 0 | 0 | 0 | 0 | 110.1 | Y105 G111 N112 V113 L141 L144 | Y105-V109 HydrophobicContact CD2-CG2 3.77Å; Y105-V109 HydrophobicContact CE2-CG2 3.52Å; Y105-V109 HydrophobicContact CG-CG2 4.43Å; Y105-V109 WeakPolarHBondContact O-CB 3.44Å; Y105-V109 WeakPolarHBondContact O-CG2 3.38Å; Y105-V109 PolarHBondContact O-N 3.08Å; V109-G111 VanDerWaalsContact C-N 3.33Å; V109-G111 PolarHBondContact O-N 3.47Å; V109-N112 PolarHBondContact O-N 3.38Å; V109-V113 HydrophobicContact CG1-CG2 4.13Å; V109-V113 WeakPolarHBondContact O-CB 3.18Å; V109-V113 VanDerWaalsContact O-CG2 3.28Å; V109-V113 WeakPolarHBondContact O-CG2 3.35Å; V109-V113 PolarHBondContact O-N 3.44Å; V109-L141 HydrophobicContact CB-CD2 4.26Å; V109-L141 HydrophobicContact CG1-CD2 4.09Å; V109-L141 HydrophobicContact CG2-CD2 4.2Å; V109-L144 HydrophobicContact CG2-CB 4.18Å |
| 110 | T | 92.1 | Very high | 88.2 | Confident | 90 Ų | 90 | 48.9 Ų | 48.9 | 55% | 0.552 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -58.4 | -45.6 | 178.8 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | I106 Y114 | I106-T110 WeakPolarHBondContact O-CB 3.4Å; I106-T110 PolarHBondContact O-N 2.91Å; I106-T110 VanDerWaalsContact O-N 3.07Å; I106-T110 PolarHBondContact O-OG1 3.25Å; T110-Y114 VanDerWaalsContact O-CB 3.23Å; T110-Y114 WeakPolarHBondContact O-CB 3.18Å; T110-Y114 PolarHBondContact O-N 3.17Å |
| 111 | G | 91.1 | Very high | 87.6 | Confident | 14 Ų | 14 | 53 Ų | 53 | 14% | 0.144 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.8 | -43 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V107 G108 V109 T115 P365 | V107-G111 PolarHBondContact O-N 3.32Å; G108-G111 PolarHBondContact O-N 2.88Å; V109-G111 VanDerWaalsContact C-N 3.33Å; V109-G111 PolarHBondContact O-N 3.47Å; G111-T115 WeakPolarHBondContact O-CB 3.29Å; G111-T115 PolarHBondContact O-N 2.93Å; G111-T115 PolarHBondContact O-OG1 3.38Å; G111-P365 WeakPolarHBondContact O-CB 3.25Å; G111-P365 WeakPolarHBondContact O-CG 3.29Å |
| 112 | N | 92 | Very high | 86.7 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.011 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -75.4 | -37 | -178.6 | -75.5 | -67.8 | 0 | 0 | 0 | 112.3 | G108 V109 T115 L116 A137 L141 S361 P365 | G108-N112 WeakPolarHBondContact O-CB 3.13Å; G108-N112 PolarHBondContact O-N 3.21Å; G108-N112 PolarHBondContact O-ND2 3.33Å; V109-N112 PolarHBondContact O-N 3.38Å; N112-T115 WeakPolarHBondContact O-CB 3.39Å; N112-T115 PolarHBondContact O-N 2.85Å; N112-L116 PolarHBondContact O-N 2.87Å; N112-A137 HydrophobicContact CB-CB 4.43Å; N112-L141 HydrophobicContact CB-CD1 4.31Å; N112-L141 HydrophobicContact CB-CD2 3.86Å; N112-L141 HydrophobicContact CB-CG 3.74Å; N112-S361 PolarHBondContact ND2-O 3.44Å; N112-P365 HydrophobicContact CB-CG 4.4Å; N112-P365 WeakPolarHBondContact OD1-CG 3.32Å |
| 113 | V | 92.2 | Very high | 85.7 | Confident | 68 Ų | 68 | 55 Ų | 55 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 169.3 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | V109 T115 L116 V117 L141 | V109-V113 HydrophobicContact CG1-CG2 4.13Å; V109-V113 WeakPolarHBondContact O-CB 3.18Å; V109-V113 VanDerWaalsContact O-CG2 3.28Å; V109-V113 WeakPolarHBondContact O-CG2 3.35Å; V109-V113 PolarHBondContact O-N 3.44Å; V113-T115 VanDerWaalsContact C-N 3.28Å; V113-T115 PolarHBondContact O-N 2.91Å; V113-L116 PolarHBondContact O-N 3.47Å; V113-V117 HydrophobicContact CG1-CG2 4.43Å; V113-V117 WeakPolarHBondContact O-CG2 3.3Å; V113-V117 PolarHBondContact O-N 2.86Å; V113-L141 HydrophobicContact CG2-CD1 4.15Å; V113-L141 HydrophobicContact CG2-CD2 4.02Å |
| 114 | Y | 89.3 | Confident | 84.2 | Confident | 133 Ų | 133 | 58 Ų | 58 | 52% | 0.522 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.3 | -43.6 | 174.5 | 177.6 | -89.2 | 0 | 0 | 0 | 111.8 | T110 V117 V118 T369 | T110-Y114 VanDerWaalsContact O-CB 3.23Å; T110-Y114 WeakPolarHBondContact O-CB 3.18Å; T110-Y114 PolarHBondContact O-N 3.17Å; Y114-V117 PolarHBondContact O-N 2.99Å; Y114-V118 HydrophobicContact CD1-CG2 4.08Å; Y114-V118 HydrophobicContact CD2-CG2 4.46Å; Y114-V118 HydrophobicContact CE1-CG2 3.57Å; Y114-V118 HydrophobicContact CE2-CG2 4.03Å; Y114-V118 HydrophobicContact CG-CG2 4.49Å; Y114-V118 WeakPolarHBondContact O-CB 3.36Å; Y114-V118 WeakPolarHBondContact O-CG2 3.44Å; Y114-V118 PolarHBondContact O-N 3.44Å; Y114-T369 HydrophobicContact CD1-CG2 3.92Å; Y114-T369 HydrophobicContact CE1-CG2 3.5Å |
| 115 | T | 87.1 | Confident | 82.2 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 3% | 0.025 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 178 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | G111 N112 V113 M119 I133 | G111-T115 WeakPolarHBondContact O-CB 3.29Å; G111-T115 PolarHBondContact O-N 2.93Å; G111-T115 PolarHBondContact O-OG1 3.38Å; N112-T115 WeakPolarHBondContact O-CB 3.39Å; N112-T115 PolarHBondContact O-N 2.85Å; V113-T115 VanDerWaalsContact C-N 3.28Å; V113-T115 PolarHBondContact O-N 2.91Å; T115-M119 HydrophobicContact CG2-CG 4.39Å; T115-M119 WeakPolarHBondContact O-CB 3.41Å; T115-M119 WeakPolarHBondContact O-CG 3.5Å; T115-M119 PolarHBondContact O-N 2.85Å; T115-I133 HydrophobicContact CG2-CG2 3.64Å |
| 116 | L | 88.4 | Confident | 80.4 | Confident | 31 Ų | 31 | 65.1 Ų | 65.1 | 16% | 0.162 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.3 | -48.9 | 174.4 | -74.5 | 176.8 | 0 | 0 | 0 | 112.1 | N112 V113 V118 M119 C120 I134 A137 L138 L141 | N112-L116 PolarHBondContact O-N 2.87Å; V113-L116 PolarHBondContact O-N 3.47Å; L116-V118 PolarHBondContact O-N 3.22Å; L116-M119 PolarHBondContact O-N 3.43Å; L116-C120 VanDerWaalsContact O-CB 3.3Å; L116-C120 WeakPolarHBondContact O-CB 3.33Å; L116-C120 PolarHBondContact O-N 2.95Å; L116-C120 PolarHBondContact O-SG 2.93Å; L116-C120 VanDerWaalsContact O-SG 3.37Å; L116-I134 HydrophobicContact CD2-CB 4.23Å; L116-I134 HydrophobicContact CD2-CG1 4.17Å; L116-I134 HydrophobicContact CD2-CG2 3.91Å; L116-A137 HydrophobicContact CD2-CB 3.83Å; L116-A137 HydrophobicContact CG-CB 3.84Å; L116-L138 HydrophobicContact CD1-CD2 4.12Å; L116-L138 HydrophobicContact CD2-CG 4.43Å; L116-L141 HydrophobicContact CD1-CD1 3.54Å |
| 117 | V | 87.1 | Confident | 79.1 | Confident | 89 Ų | 89 | 61.1 Ų | 61.1 | 54% | 0.539 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.2 | -48.7 | 179.7 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | V113 Y114 M119 C120 H121 | V113-V117 HydrophobicContact CG1-CG2 4.43Å; V113-V117 WeakPolarHBondContact O-CG2 3.3Å; V113-V117 PolarHBondContact O-N 2.86Å; Y114-V117 PolarHBondContact O-N 2.99Å; V117-M119 PolarHBondContact O-N 3.32Å; V117-C120 PolarHBondContact O-N 2.92Å; V117-H121 VanDerWaalsContact O-CB 3.3Å; V117-H121 WeakPolarHBondContact O-CB 3.33Å; V117-H121 PolarHBondContact O-N 3.45Å |
| 118 | V | 82.4 | Confident | 77.9 | Confident | 23 Ų | 23 | 61 Ų | 61 | 14% | 0.139 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64 | -41.7 | 179.5 | 170.6 | 0 | 0 | 0 | 0 | 112.1 | Y114 L116 S122 I123 T372 | Y114-V118 HydrophobicContact CD1-CG2 4.08Å; Y114-V118 HydrophobicContact CD2-CG2 4.46Å; Y114-V118 HydrophobicContact CE1-CG2 3.57Å; Y114-V118 HydrophobicContact CE2-CG2 4.03Å; Y114-V118 HydrophobicContact CG-CG2 4.49Å; Y114-V118 WeakPolarHBondContact O-CB 3.36Å; Y114-V118 WeakPolarHBondContact O-CG2 3.44Å; Y114-V118 PolarHBondContact O-N 3.44Å; L116-V118 PolarHBondContact O-N 3.22Å; V118-S122 WeakPolarHBondContact O-CB 3.41Å; V118-S122 PolarHBondContact O-N 3.13Å; V118-I123 HydrophobicContact CG1-CD1 3.82Å; V118-T372 HydrophobicContact CG1-CG2 4.23Å |
| 119 | M | 81.2 | Confident | 77.1 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.02 | 33% | 0.328 | C | S | . | . | I | π-helix | trans | -68.2 | -43 | 179.5 | -69.4 | -61.3 | 145.9 | 0 | 0 | 112.2 | T115 L116 V117 I123 R124 I133 I134 T372 | T115-M119 HydrophobicContact CG2-CG 4.39Å; T115-M119 WeakPolarHBondContact O-CB 3.41Å; T115-M119 WeakPolarHBondContact O-CG 3.5Å; T115-M119 PolarHBondContact O-N 2.85Å; L116-M119 PolarHBondContact O-N 3.43Å; V117-M119 PolarHBondContact O-N 3.32Å; M119-I123 HydrophobicContact CE-CD1 3.72Å; M119-I123 HydrophobicContact SD-CB 4.07Å; M119-I123 HydrophobicContact SD-CD1 3.98Å; M119-I123 HydrophobicContact SD-CG2 4.01Å; M119-R124 PolarHBondContact O-N 3.4Å; M119-R124 VanDerWaalsContact O-N 3.1Å; M119-I133 HydrophobicContact CE-CD1 3.9Å; M119-I133 HydrophobicContact CE-CG2 4.36Å; M119-I133 HydrophobicContact CG-CB 4.37Å; M119-I133 HydrophobicContact CG-CG2 3.85Å; M119-I133 HydrophobicContact SD-CD1 3.8Å; M119-I133 HydrophobicContact SD-CG2 4.3Å; M119-I134 HydrophobicContact CB-CG1 4.25Å; M119-T372 VanDerWaalsContact CE-OG1 3.3Å; M119-T372 WeakPolarHBondContact CE-OG1 3.2Å |
| 120 | C | 80.4 | Confident | 76.5 | Confident | 67 Ų | 67 | 61.4 Ų | 61.4 | 45% | 0.453 | 33% | 0.325 | S | S | . | . | I | π-helix | trans | -65.1 | -44.3 | 178 | -75 | 0 | 0 | 0 | 0 | 112.4 | L116 V117 | L116-C120 VanDerWaalsContact O-CB 3.3Å; L116-C120 WeakPolarHBondContact O-CB 3.33Å; L116-C120 PolarHBondContact O-N 2.95Å; L116-C120 PolarHBondContact O-SG 2.93Å; L116-C120 VanDerWaalsContact O-SG 3.37Å; V117-C120 PolarHBondContact O-N 2.92Å |
| 121 | H | 75 | Confident | 76.2 | Confident | 164 Ų | 164 | 57.9 Ų | 57.9 | 76% | 0.759 | 30% | 0.303 | S | S | * | . | I | π-helix | trans | -86.1 | -43.7 | -173.5 | -165.9 | -92.2 | 0 | 0 | 0 | 113.7 | V117 | V117-H121 VanDerWaalsContact O-CB 3.3Å; V117-H121 WeakPolarHBondContact O-CB 3.33Å; V117-H121 PolarHBondContact O-N 3.45Å |
| 122 | S | 64.3 | Low | 75.9 | Confident | 80 Ų | 80 | 57.7 Ų | 57.7 | 56% | 0.559 | 30% | 0.299 | S | S | * | . | I | π-helix | trans | -107.1 | -19.2 | -163.7 | -59.5 | 0 | 0 | 0 | 0 | 115.2 | V118 | V118-S122 WeakPolarHBondContact O-CB 3.41Å; V118-S122 PolarHBondContact O-N 3.13Å |
| 123 | I | 63.5 | Low | 75.7 | Confident | 13 Ų | 13 | 57.7 Ų | 57.7 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -131.2 | -12.6 | -161.5 | -58.8 | 174 | 0 | 0 | 0 | 113.7 | V118 M119 F125 A126 T127 T372 | V118-I123 HydrophobicContact CG1-CD1 3.82Å; M119-I123 HydrophobicContact CE-CD1 3.72Å; M119-I123 HydrophobicContact SD-CB 4.07Å; M119-I123 HydrophobicContact SD-CD1 3.98Å; M119-I123 HydrophobicContact SD-CG2 4.01Å; I123-F125 PolarHBondContact O-N 2.88Å; I123-A126 PolarHBondContact O-N 3.35Å; I123-T127 WeakPolarHBondContact CG2-OG1 3.31Å; I123-T127 PolarHBondContact O-N 3.23Å; I123-T372 HydrophobicContact CD1-CG2 3.42Å; I123-T372 VanDerWaalsContact CD1-CG2 3.42Å |
| 124 | R | 57.8 | Low | 75.5 | Confident | 146 Ų | 146 | 56.2 Ų | 56.2 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.7 | -33.2 | 178.1 | -178.1 | 177.6 | 174.6 | 124.4 | -5.5 | 115.4 | M119 | M119-R124 PolarHBondContact O-N 3.4Å; M119-R124 VanDerWaalsContact O-N 3.1Å |
| 125 | F | 48.3 | Very low | 75.5 | Confident | 196 Ų | 196 | 51 Ų | 51 | 86% | 0.86 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -14.3 | -177.6 | -60.7 | -78.6 | 0 | 0 | 0 | 114.8 | I123 | I123-F125 PolarHBondContact O-N 2.88Š|
| 126 | A | 50.6 | Low | 75.6 | Confident | 43 Ų | 43 | 51 Ų | 51 | 36% | 0.355 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -25.4 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | I123 Y375 L379 | I123-A126 PolarHBondContact O-N 3.35Å; A126-Y375 HydrophobicContact CB-CE1 3.85Å; A126-Y375 PolarHBondContact O-OH 2.93Å; A126-L379 HydrophobicContact CB-CD1 4.3Å |
| 127 | T | 64.4 | Low | 75.7 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 12% | 0.123 | 26% | 0.262 | C | S | . | . | trans | -112.6 | 118.3 | -172.2 | -63.7 | 0 | 0 | 0 | 0 | 112.9 | I123 M129 Y130 | I123-T127 WeakPolarHBondContact CG2-OG1 3.31Å; I123-T127 PolarHBondContact O-N 3.23Å; T127-M129 HydrophobicContact CG2-CB 4.06Å; T127-M129 PolarHBondContact O-N 3.44Å; T127-Y130 WeakPolarHBondContact O-CD1 3.43Å; T127-Y130 PolarHBondContact O-N 3.29Å | ||
| 128 | S | 66.1 | Low | 75.9 | Confident | 58 Ų | 58 | 48.9 Ų | 48.9 | 41% | 0.406 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -35.4 | 176.8 | -173.9 | 0 | 0 | 0 | 0 | 114.2 | R209 | S128-R209 WeakPolarHBondContact O-CD 3.28Å; S128-R209 PolarHBondContact O-NE 2.77Å; S128-R209 PolarHBondContact O-NH1 2.93Å; S128-R209 PolarHBondContact OG-NH1 3.25Å; S128-R209 PolarHBondContact OG-NH2 3.26Å; S128-R209 VanDerWaalsContact OG-NH2 3.15Å |
| 129 | M | 74.1 | Confident | 76.4 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 6.9 | -171 | -158.7 | -145.3 | 128.2 | 0 | 0 | 114.6 | T127 I131 S132 I133 M187 R191 Y368 | T127-M129 HydrophobicContact CG2-CB 4.06Å; T127-M129 PolarHBondContact O-N 3.44Å; M129-I131 PolarHBondContact O-N 2.94Å; M129-S132 PolarHBondContact O-N 3.18Å; M129-S132 VanDerWaalsContact O-N 3.13Å; M129-I133 HydrophobicContact CE-CD1 4.2Å; M129-I133 HydrophobicContact CE-CG1 3.37Å; M129-I133 PolarHBondContact O-N 3.34Å; M129-I133 HydrophobicContact SD-CD1 4.45Å; M129-I133 HydrophobicContact SD-CG1 4.2Å; M129-M187 HydrophobicContact CE-CB 3.82Å; M129-M187 HydrophobicContact CE-CE 3.67Å; M129-M187 HydrophobicContact CE-CG 3.38Å; M129-M187 HydrophobicContact CE-SD 3.3Å; M129-M187 WeakPolarHBondContact CE-SD 3.3Å; M129-M187 HydrophobicContact SD-CE 3.63Å; M129-M187 HydrophobicContact SD-CG 3.7Å; M129-M187 HydrophobicContact SD-SD 4Å; M129-R191 VanDerWaalsContact CB-NH2 3.27Å; M129-R191 PolarHBondContact SD-NE 2.88Å; M129-R191 VanDerWaalsContact SD-NE 3.36Å; M129-R191 PolarHBondContact SD-NH2 3.32Å; M129-Y368 HydrophobicContact CE-CE1 4.23Å |
| 130 | Y | 80 | Confident | 76.8 | Confident | 42 Ų | 42 | 47.6 Ų | 47.6 | 17% | 0.165 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59 | -33.6 | -171.1 | 82.9 | -88.4 | 0 | 0 | 0 | 113.5 | T127 S132 I133 I134 | T127-Y130 WeakPolarHBondContact O-CD1 3.43Å; T127-Y130 PolarHBondContact O-N 3.29Å; Y130-S132 PolarHBondContact O-N 2.99Å; Y130-I133 PolarHBondContact O-N 3.29Å; Y130-I134 HydrophobicContact CD2-CD1 3.85Å; Y130-I134 HydrophobicContact CE2-CD1 4.33Å; Y130-I134 WeakPolarHBondContact O-CG1 3.43Å; Y130-I134 PolarHBondContact O-N 3.29Å |
| 131 | I | 84.9 | Confident | 77.3 | Confident | 16 Ų | 16 | 46 Ų | 46 | 8% | 0.082 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 178.7 | -64 | 172.6 | 0 | 0 | 0 | 110.3 | M129 I134 N135 R209 A213 | M129-I131 PolarHBondContact O-N 2.94Å; I131-I134 PolarHBondContact O-N 2.89Å; I131-N135 WeakPolarHBondContact CG2-ND2 3.46Å; I131-N135 PolarHBondContact O-N 3.42Å; I131-N135 PolarHBondContact O-ND2 3.45Å; I131-R209 HydrophobicContact CD1-CB 3.8Å; I131-A213 HydrophobicContact CG2-CB 4.42Å |
| 132 | S | 85.6 | Confident | 78 | Confident | 10 Ų | 10 | 41.7 Ų | 41.7 | 7% | 0.07 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.1 | -35.3 | -178.7 | -37.2 | 0 | 0 | 0 | 0 | 111.2 | M129 Y130 L136 T183 E190 | M129-S132 PolarHBondContact O-N 3.18Å; M129-S132 VanDerWaalsContact O-N 3.13Å; Y130-S132 PolarHBondContact O-N 2.99Å; S132-L136 WeakPolarHBondContact O-CB 3.44Å; S132-L136 PolarHBondContact O-N 3.06Å; S132-T183 WeakPolarHBondContact O-CG2 3.4Å; S132-E190 PolarHBondContact OG-OE2 2.77Å |
| 133 | I | 86.4 | Confident | 79.1 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.3 | -43.9 | 173.1 | -53.9 | -179.5 | 0 | 0 | 0 | 111.1 | T115 M119 M129 Y130 L136 A137 Y368 L371 | T115-I133 HydrophobicContact CG2-CG2 3.64Å; M119-I133 HydrophobicContact CE-CD1 3.9Å; M119-I133 HydrophobicContact CE-CG2 4.36Å; M119-I133 HydrophobicContact CG-CB 4.37Å; M119-I133 HydrophobicContact CG-CG2 3.85Å; M119-I133 HydrophobicContact SD-CD1 3.8Å; M119-I133 HydrophobicContact SD-CG2 4.3Å; M129-I133 HydrophobicContact CE-CD1 4.2Å; M129-I133 HydrophobicContact CE-CG1 3.37Å; M129-I133 PolarHBondContact O-N 3.34Å; M129-I133 HydrophobicContact SD-CD1 4.45Å; M129-I133 HydrophobicContact SD-CG1 4.2Å; Y130-I133 PolarHBondContact O-N 3.29Å; I133-L136 PolarHBondContact O-N 3.21Å; I133-A137 WeakPolarHBondContact O-CB 3.43Å; I133-A137 PolarHBondContact O-N 3.41Å; I133-Y368 HydrophobicContact CD1-CD1 3.95Å; I133-Y368 HydrophobicContact CD1-CE1 4.41Å; I133-Y368 HydrophobicContact CG1-CD1 4.1Å; I133-Y368 HydrophobicContact CG1-CE1 4.14Å; I133-Y368 HydrophobicContact CG2-CD1 4.26Å; I133-Y368 HydrophobicContact CG2-CD2 4.34Å; I133-Y368 HydrophobicContact CG2-CG 4.13Å; I133-L371 HydrophobicContact CD1-CD2 4.35Å |
| 134 | I | 88.4 | Confident | 80.2 | Confident | 37 Ų | 37 | 37.4 Ų | 37.4 | 19% | 0.19 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.8 | -44.1 | 178.7 | -69.9 | 173.8 | 0 | 0 | 0 | 111.2 | L116 M119 Y130 I131 L136 A137 L138 | L116-I134 HydrophobicContact CD2-CB 4.23Å; L116-I134 HydrophobicContact CD2-CG1 4.17Å; L116-I134 HydrophobicContact CD2-CG2 3.91Å; M119-I134 HydrophobicContact CB-CG1 4.25Å; Y130-I134 HydrophobicContact CD2-CD1 3.85Å; Y130-I134 HydrophobicContact CE2-CD1 4.33Å; Y130-I134 WeakPolarHBondContact O-CG1 3.43Å; Y130-I134 PolarHBondContact O-N 3.29Å; I131-I134 PolarHBondContact O-N 2.89Å; I134-L136 VanDerWaalsContact C-N 3.34Å; I134-L136 PolarHBondContact O-N 3Å; I134-A137 PolarHBondContact O-N 3.48Å; I134-L138 HydrophobicContact CG2-CD1 3.88Å; I134-L138 HydrophobicContact CG2-CG 4.39Å; I134-L138 WeakPolarHBondContact O-CB 3.4Å; I134-L138 VanDerWaalsContact O-CG 3.28Å; I134-L138 WeakPolarHBondContact O-CG 3.31Å; I134-L138 PolarHBondContact O-N 3.47Å |
| 135 | N | 90 | Very high | 81.6 | Confident | 25 Ų | 25 | 32 Ų | 32 | 13% | 0.134 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.8 | -42.1 | 177.2 | -81.3 | -86 | 0 | 0 | 0 | 111.8 | I131 L138 A139 T183 W217 | I131-N135 WeakPolarHBondContact CG2-ND2 3.46Å; I131-N135 PolarHBondContact O-N 3.42Å; I131-N135 PolarHBondContact O-ND2 3.45Å; N135-L138 PolarHBondContact O-N 3.49Å; N135-A139 WeakPolarHBondContact O-CB 3.5Å; N135-A139 PolarHBondContact O-N 3.27Å; N135-T183 HydrophobicContact CB-CG2 4.29Å; N135-W217 PolarHBondContact OD1-NE1 2.92Å |
| 136 | L | 89 | Confident | 83 | Confident | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.6 | -46.5 | 177.1 | -176.4 | 62.5 | 0 | 0 | 0 | 111.7 | S132 I133 I134 L138 A139 D140 S180 T183 Y368 | S132-L136 WeakPolarHBondContact O-CB 3.44Å; S132-L136 PolarHBondContact O-N 3.06Å; I133-L136 PolarHBondContact O-N 3.21Å; I134-L136 VanDerWaalsContact C-N 3.34Å; I134-L136 PolarHBondContact O-N 3Å; L136-L138 VanDerWaalsContact C-N 3.28Å; L136-L138 PolarHBondContact O-N 2.85Å; L136-A139 PolarHBondContact O-N 2.87Å; L136-D140 WeakPolarHBondContact O-CB 3.41Å; L136-D140 PolarHBondContact O-N 3.32Å; L136-S180 WeakPolarHBondContact CD1-OG 3.38Å; L136-T183 HydrophobicContact CB-CG2 3.85Å; L136-Y368 HydrophobicContact CD2-CE2 3.61Å; L136-Y368 WeakPolarHBondContact CD2-OH 3.19Å |
| 137 | A | 91.4 | Very high | 84.2 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.8 | -31 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N112 L116 I133 I134 L141 | N112-A137 HydrophobicContact CB-CB 4.43Å; L116-A137 HydrophobicContact CD2-CB 3.83Å; L116-A137 HydrophobicContact CG-CB 3.84Å; I133-A137 WeakPolarHBondContact O-CB 3.43Å; I133-A137 PolarHBondContact O-N 3.41Å; I134-A137 PolarHBondContact O-N 3.48Å; A137-L141 WeakPolarHBondContact O-CB 3.42Å; A137-L141 WeakPolarHBondContact O-CG 3.33Å; A137-L141 PolarHBondContact O-N 3.1Å |
| 138 | L | 91 | Very high | 84.6 | Confident | 75 Ų | 75 | 21.6 Ų | 21.6 | 39% | 0.393 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -70.9 | -43.8 | 171.6 | -72.1 | 170.8 | 0 | 0 | 0 | 112.1 | L116 I134 N135 L136 L141 L142 | L116-L138 HydrophobicContact CD1-CD2 4.12Å; L116-L138 HydrophobicContact CD2-CG 4.43Å; I134-L138 HydrophobicContact CG2-CD1 3.88Å; I134-L138 HydrophobicContact CG2-CG 4.39Å; I134-L138 WeakPolarHBondContact O-CB 3.4Å; I134-L138 VanDerWaalsContact O-CG 3.28Å; I134-L138 WeakPolarHBondContact O-CG 3.31Å; I134-L138 PolarHBondContact O-N 3.47Å; N135-L138 PolarHBondContact O-N 3.49Å; L136-L138 VanDerWaalsContact C-N 3.28Å; L136-L138 PolarHBondContact O-N 2.85Å; L138-L141 PolarHBondContact O-N 3.31Å; L138-L142 WeakPolarHBondContact O-CB 3.4Å; L138-L142 VanDerWaalsContact O-CG 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.39Å; L138-L142 PolarHBondContact O-N 2.9Å |
| 139 | A | 91.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | N135 L136 L142 Y143 T176 A179 S180 W217 | N135-A139 WeakPolarHBondContact O-CB 3.5Å; N135-A139 PolarHBondContact O-N 3.27Å; L136-A139 PolarHBondContact O-N 2.87Å; A139-L142 PolarHBondContact O-N 3.11Å; A139-Y143 WeakPolarHBondContact O-CB 3.19Å; A139-Y143 PolarHBondContact O-N 3.05Å; A139-T176 WeakPolarHBondContact O-CB 3.39Å; A139-A179 HydrophobicContact CB-CB 4.05Å; A139-S180 WeakPolarHBondContact CB-OG 3.14Å; A139-W217 HydrophobicContact CB-CH2 3.98Å; A139-W217 HydrophobicContact CB-CZ2 4.28Å |
| 140 | D | 91.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64 | -38.8 | 176 | -76.1 | -21.7 | 0 | 0 | 0 | 112.3 | L136 Y143 L144 S180 S361 N364 | L136-D140 WeakPolarHBondContact O-CB 3.41Å; L136-D140 PolarHBondContact O-N 3.32Å; D140-Y143 PolarHBondContact O-N 2.93Å; D140-L144 VanDerWaalsContact O-CB 3.25Å; D140-L144 WeakPolarHBondContact O-CB 3.47Å; D140-L144 WeakPolarHBondContact O-CD1 3.28Å; D140-L144 WeakPolarHBondContact O-CG 3.4Å; D140-L144 PolarHBondContact O-N 3.37Å; D140-S180 PolarHBondContact OD1-OG 2.74Å; D140-S361 VanDerWaalsContact CG-OG 3.3Å; D140-S361 WeakPolarHBondContact OD1-CB 3.44Å; D140-S361 PolarHBondContact OD1-OG 3.28Å; D140-N364 PolarHBondContact OD2-ND2 2.9Å |
| 141 | L | 90.5 | Very high | 83.7 | Confident | 35 Ų | 35 | 18.2 Ų | 18.2 | 18% | 0.183 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.6 | -37.5 | 174.3 | -77.5 | 170.4 | 0 | 0 | 0 | 112.7 | V109 N112 V113 L116 A137 L138 S145 | V109-L141 HydrophobicContact CB-CD2 4.26Å; V109-L141 HydrophobicContact CG1-CD2 4.09Å; V109-L141 HydrophobicContact CG2-CD2 4.2Å; N112-L141 HydrophobicContact CB-CD1 4.31Å; N112-L141 HydrophobicContact CB-CD2 3.86Å; N112-L141 HydrophobicContact CB-CG 3.74Å; V113-L141 HydrophobicContact CG2-CD1 4.15Å; V113-L141 HydrophobicContact CG2-CD2 4.02Å; L116-L141 HydrophobicContact CD1-CD1 3.54Å; A137-L141 WeakPolarHBondContact O-CB 3.42Å; A137-L141 WeakPolarHBondContact O-CG 3.33Å; A137-L141 PolarHBondContact O-N 3.1Å; L138-L141 PolarHBondContact O-N 3.31Å; L141-S145 WeakPolarHBondContact O-CB 3.08Å; L141-S145 PolarHBondContact O-N 2.93Å |
| 142 | L | 89.7 | Confident | 82.7 | Confident | 72 Ų | 72 | 19.6 Ų | 19.6 | 38% | 0.377 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -68.1 | -39 | 173.7 | -70.4 | 168 | 0 | 0 | 0 | 111.2 | L138 A139 S145 L172 T176 W217 | L138-L142 WeakPolarHBondContact O-CB 3.4Å; L138-L142 VanDerWaalsContact O-CG 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.39Å; L138-L142 PolarHBondContact O-N 2.9Å; A139-L142 PolarHBondContact O-N 3.11Å; L142-S145 WeakPolarHBondContact O-CB 3.22Å; L142-S145 PolarHBondContact O-N 3.29Å; L142-S145 PolarHBondContact O-OG 2.91Å; L142-L172 HydrophobicContact CB-CD1 4.37Å; L142-T176 HydrophobicContact CB-CG2 3.38Å; L142-T176 HydrophobicContact CD1-CG2 4.34Å; L142-W217 HydrophobicContact CD1-CH2 4.05Å |
| 143 | Y | 86.7 | Confident | 81.5 | Confident | 4 Ų | 4 | 19.5 Ų | 19.5 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.8 | -51.5 | 174.3 | -172.9 | -127.3 | 0 | 0 | 0 | 111.6 | A139 D140 S145 T146 D173 T176 M177 T357 Y358 S361 | A139-Y143 WeakPolarHBondContact O-CB 3.19Å; A139-Y143 PolarHBondContact O-N 3.05Å; D140-Y143 PolarHBondContact O-N 2.93Å; Y143-S145 PolarHBondContact O-N 3.34Å; Y143-T146 WeakPolarHBondContact O-CB 3.37Å; Y143-T146 WeakPolarHBondContact O-CG2 3.06Å; Y143-T146 PolarHBondContact O-N 3.48Å; Y143-T146 PolarHBondContact O-OG1 3.34Å; Y143-D173 WeakPolarHBondContact CD2-OD1 3.2Å; Y143-D173 WeakPolarHBondContact CE2-OD1 3.34Å; Y143-T176 WeakPolarHBondContact CA-OG1 3.38Å; Y143-T176 WeakPolarHBondContact CB-OG1 3.35Å; Y143-T176 WeakPolarHBondContact CD2-OG1 2.99Å; Y143-M177 HydrophobicContact CE2-CB 4.45Å; Y143-T357 WeakPolarHBondContact OH-CB 3.37Å; Y143-T357 PolarHBondContact OH-OG1 3.01Å; Y143-Y358 AromaticContact CD1-CD1 3.89Å; Y143-Y358 HydrophobicContact CD1-CD1 3.89Å; Y143-Y358 HydrophobicContact CD1-CE1 4.24Å; Y143-Y358 HydrophobicContact CD2-CE1 4.29Å; Y143-Y358 AromaticContact CE1-CD1 3.39Å; Y143-Y358 HydrophobicContact CE1-CD1 3.39Å; Y143-Y358 AromaticContact CE1-CE1 3.86Å; Y143-Y358 HydrophobicContact CE1-CE1 3.86Å; Y143-Y358 HydrophobicContact CE1-CG 4.23Å; Y143-Y358 HydrophobicContact CE2-CD1 4.28Å; Y143-Y358 AromaticContact CE2-CE1 3.9Å; Y143-Y358 HydrophobicContact CE2-CE1 3.9Å; Y143-Y358 HydrophobicContact CG-CE1 4.43Å; Y143-Y358 AromaticContact CZ-CD1 3.58Å; Y143-Y358 AromaticContact CZ-CE1 3.63Å; Y143-S361 WeakPolarHBondContact CD1-OG 3.02Å |
| 144 | L | 87.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.9 | -26.3 | 176.9 | -67 | 166.8 | 0 | 0 | 0 | 112.3 | Y105 G108 V109 D140 T146 I147 | Y105-L144 VanDerWaalsContact CD2-O 3.29Å; Y105-L144 WeakPolarHBondContact CD2-O 3.42Å; G108-L144 VanDerWaalsContact CA-CD1 3.48Å; V109-L144 HydrophobicContact CG2-CB 4.18Å; D140-L144 VanDerWaalsContact O-CB 3.25Å; D140-L144 WeakPolarHBondContact O-CB 3.47Å; D140-L144 WeakPolarHBondContact O-CD1 3.28Å; D140-L144 WeakPolarHBondContact O-CG 3.4Å; D140-L144 PolarHBondContact O-N 3.37Å; L144-T146 PolarHBondContact O-N 2.88Å; L144-I147 HydrophobicContact CD2-CD1 3.53Å; L144-I147 WeakPolarHBondContact O-CB 3.3Å; L144-I147 PolarHBondContact O-N 2.94Å |
| 145 | S | 86.2 | Confident | 79.2 | Confident | 33 Ų | 33 | 23.6 Ų | 23.6 | 23% | 0.231 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.9 | -33.6 | 171.5 | 83.2 | 0 | 0 | 0 | 0 | 110.4 | L141 L142 Y143 I147 P148 F149 | L141-S145 WeakPolarHBondContact O-CB 3.08Å; L141-S145 PolarHBondContact O-N 2.93Å; L142-S145 WeakPolarHBondContact O-CB 3.22Å; L142-S145 PolarHBondContact O-N 3.29Å; L142-S145 PolarHBondContact O-OG 2.91Å; Y143-S145 PolarHBondContact O-N 3.34Å; S145-I147 PolarHBondContact O-N 3.06Å; S145-P148 VanDerWaalsContact O-CD 3.3Å; S145-P148 WeakPolarHBondContact O-CD 3.43Å; S145-F149 WeakPolarHBondContact O-CD2 3.31Å; S145-F149 WeakPolarHBondContact O-CE2 3.15Å; S145-F149 WeakPolarHBondContact O-CG 3.3Å |
| 146 | T | 77.4 | Confident | 78 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.9 | 5.3 | 174.1 | 79 | 0 | 0 | 0 | 0 | 115.1 | N42 Y143 L144 F149 V150 L172 D173 Y358 | N42-T146 WeakPolarHBondContact O-CB 3.4Å; Y143-T146 WeakPolarHBondContact O-CB 3.37Å; Y143-T146 WeakPolarHBondContact O-CG2 3.06Å; Y143-T146 PolarHBondContact O-N 3.48Å; Y143-T146 PolarHBondContact O-OG1 3.34Å; L144-T146 PolarHBondContact O-N 2.88Å; T146-F149 WeakPolarHBondContact O-CB 3.32Å; T146-V150 WeakPolarHBondContact O-CG2 3.45Å; T146-V150 PolarHBondContact O-N 2.93Å; T146-L172 HydrophobicContact CG2-CD2 4.25Å; T146-L172 HydrophobicContact CG2-CG 4.43Å; T146-D173 HydrophobicContact CG2-CB 4.42Å; T146-D173 PolarHBondContact OG1-OD1 2.68Å; T146-Y358 PolarHBondContact O-OH 3.38Å; T146-Y358 WeakPolarHBondContact OG1-CE1 3.46Å; T146-Y358 PolarHBondContact OG1-OH 3.48Å |
| 147 | I | 76.1 | Confident | 76.8 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -83.4 | -57.1 | -179.3 | -62.6 | 177.9 | 0 | 0 | 0 | 116.7 | L101 V104 Y105 L144 S145 F149 V150 V151 Y358 | L101-I147 HydrophobicContact CB-CG2 3.77Å; L101-I147 HydrophobicContact CD1-CG2 4.41Å; L101-I147 HydrophobicContact CD2-CG2 4.43Å; L101-I147 HydrophobicContact CG-CG2 4.44Å; L101-I147 WeakPolarHBondContact O-CG2 3.38Å; V104-I147 HydrophobicContact CG1-CD1 3.95Å; Y105-I147 HydrophobicContact CD2-CB 4.06Å; Y105-I147 HydrophobicContact CG-CB 4.42Å; L144-I147 HydrophobicContact CD2-CD1 3.53Å; L144-I147 WeakPolarHBondContact O-CB 3.3Å; L144-I147 PolarHBondContact O-N 2.94Å; S145-I147 PolarHBondContact O-N 3.06Å; I147-F149 PolarHBondContact O-N 3.04Å; I147-F149 VanDerWaalsContact O-N 3.16Å; I147-V150 WeakPolarHBondContact O-CB 3.35Å; I147-V150 VanDerWaalsContact O-CG2 3.23Å; I147-V150 WeakPolarHBondContact O-CG2 3.33Å; I147-V150 PolarHBondContact O-N 2.82Å; I147-V151 PolarHBondContact O-N 3.19Å; I147-Y358 HydrophobicContact CD1-CD1 3.61Å; I147-Y358 HydrophobicContact CD1-CD2 4.45Å; I147-Y358 HydrophobicContact CD1-CE1 4.06Å; I147-Y358 HydrophobicContact CD1-CG 3.81Å; I147-Y358 HydrophobicContact CG1-CD1 3.63Å; I147-Y358 HydrophobicContact CG1-CD2 4.36Å; I147-Y358 HydrophobicContact CG1-CE1 3.52Å; I147-Y358 HydrophobicContact CG1-CE2 4.24Å; I147-Y358 HydrophobicContact CG1-CG 4.04Å |
| 148 | P | 73.6 | Confident | 75.4 | Confident | 39 Ų | 39 | 33.8 Ų | 33.8 | 25% | 0.253 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -55.4 | -40.3 | -179.6 | -20.7 | 32.6 | 0 | 0 | 0 | 110.5 | Y105 S145 V150 V151 C152 | Y105-P148 HydrophobicContact CD1-CG 4.22Å; Y105-P148 HydrophobicContact CD2-CG 3.86Å; Y105-P148 HydrophobicContact CE1-CG 3.99Å; Y105-P148 HydrophobicContact CE2-CG 3.58Å; Y105-P148 HydrophobicContact CG-CG 4.16Å; S145-P148 VanDerWaalsContact O-CD 3.3Å; S145-P148 WeakPolarHBondContact O-CD 3.43Å; P148-V150 PolarHBondContact O-N 3.13Å; P148-V151 WeakPolarHBondContact O-CB 3.04Å; P148-V151 PolarHBondContact O-N 3.3Å; P148-C152 PolarHBondContact O-N 3.05Å; P148-C152 VanDerWaalsContact O-N 3.13Å |
| 149 | F | 69.9 | Low | 74.3 | Confident | 15 Ų | 15 | 30.3 Ų | 30.3 | 7% | 0.066 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -25.4 | -64 | 154.3 | -87.6 | -121.7 | 0 | 0 | 0 | 116.9 | F40 Y41 N42 S145 T146 I147 V151 L169 | F40-F149 VanDerWaalsContact C-CE2 3.48Å; F40-F149 HydrophobicContact CB-CD2 3.81Å; F40-F149 HydrophobicContact CB-CE1 3.78Å; F40-F149 HydrophobicContact CB-CE2 3.11Å; F40-F149 HydrophobicContact CB-CZ 3.08Å; F40-F149 HydrophobicContact CG-CE2 4.26Å; F40-F149 HydrophobicContact CG-CZ 4.1Å; F40-F149 WeakPolarHBondContact O-CA 3.47Å; F40-F149 WeakPolarHBondContact O-CD2 3.46Å; F40-F149 WeakPolarHBondContact O-CG 3.49Å; Y41-F149 VanDerWaalsContact CA-CG 3.48Å; N42-F149 WeakPolarHBondContact CA-O 3.29Å; N42-F149 PolarHBondContact N-O 3.42Å; N42-F149 VanDerWaalsContact N-O 3.16Å; S145-F149 WeakPolarHBondContact O-CD2 3.31Å; S145-F149 WeakPolarHBondContact O-CE2 3.15Å; S145-F149 WeakPolarHBondContact O-CG 3.3Å; T146-F149 WeakPolarHBondContact O-CB 3.32Å; I147-F149 PolarHBondContact O-N 3.04Å; I147-F149 VanDerWaalsContact O-N 3.16Å; F149-V151 VanDerWaalsContact C-N 3.31Å; F149-V151 PolarHBondContact O-N 3.07Å; F149-L169 HydrophobicContact CD1-CD1 4.12Å; F149-L169 HydrophobicContact CD1-CD2 4.22Å; F149-L169 HydrophobicContact CE1-CD1 4.06Å; F149-L169 HydrophobicContact CE1-CD2 3.58Å; F149-L169 HydrophobicContact CE1-CG 4.42Å |
| 150 | V | 66.1 | Low | 73.2 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -53.9 | -50.8 | 174.2 | -165.9 | 0 | 0 | 0 | 0 | 110.7 | F43 F97 L101 T146 I147 P148 C152 T153 Y154 Y358 | F43-V150 HydrophobicContact CB-CB 4.02Å; F43-V150 HydrophobicContact CB-CG1 4Å; F43-V150 HydrophobicContact CB-CG2 3.31Å; F43-V150 HydrophobicContact CD1-CG1 4.45Å; F43-V150 HydrophobicContact CG-CG2 4.21Å; F97-V150 HydrophobicContact CE1-CG1 4Å; F97-V150 HydrophobicContact CZ-CG1 4.44Å; L101-V150 HydrophobicContact CD1-CB 3.78Å; L101-V150 HydrophobicContact CD1-CG1 3.72Å; L101-V150 HydrophobicContact CD1-CG2 3.81Å; T146-V150 WeakPolarHBondContact O-CG2 3.45Å; T146-V150 PolarHBondContact O-N 2.93Å; I147-V150 WeakPolarHBondContact O-CB 3.35Å; I147-V150 VanDerWaalsContact O-CG2 3.23Å; I147-V150 WeakPolarHBondContact O-CG2 3.33Å; I147-V150 PolarHBondContact O-N 2.82Å; P148-V150 PolarHBondContact O-N 3.13Å; V150-C152 VanDerWaalsContact C-N 3.34Å; V150-C152 PolarHBondContact O-N 3.5Å; V150-T153 PolarHBondContact O-N 3.31Å; V150-T153 PolarHBondContact O-OG1 3.03Å; V150-Y154 PolarHBondContact O-N 3.36Å; V150-Y154 VanDerWaalsContact O-N 3.13Å; V150-Y358 HydrophobicContact CG2-CE2 4.2Å |
| 151 | V | 64.8 | Low | 72 | Confident | 14 Ų | 14 | 39.3 Ų | 39.3 | 9% | 0.085 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.3 | -41.3 | -160 | 177.1 | 0 | 0 | 0 | 0 | 109.4 | L101 I147 P148 F149 Y154 F155 | L101-V151 HydrophobicContact CB-CG2 3.96Å; L101-V151 HydrophobicContact CD1-CG2 3.99Å; I147-V151 PolarHBondContact O-N 3.19Å; P148-V151 WeakPolarHBondContact O-CB 3.04Å; P148-V151 PolarHBondContact O-N 3.3Å; F149-V151 VanDerWaalsContact C-N 3.31Å; F149-V151 PolarHBondContact O-N 3.07Å; V151-Y154 PolarHBondContact O-N 3.19Å; V151-F155 HydrophobicContact CG1-CD2 3.71Å; V151-F155 HydrophobicContact CG1-CE2 3.45Å; V151-F155 VanDerWaalsContact CG1-CE2 3.45Å; V151-F155 VanDerWaalsContact O-CD2 3.25Å; V151-F155 WeakPolarHBondContact O-CD2 3.39Å; V151-F155 PolarHBondContact O-N 2.94Å; V151-F155 VanDerWaalsContact O-N 3.08Å |
| 152 | C | 63.6 | Low | 71.2 | Confident | 45 Ų | 45 | 38.7 Ų | 38.7 | 30% | 0.304 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.3 | -48.1 | 174.2 | -66.7 | 0 | 0 | 0 | 0 | 113.5 | Y41 P148 V150 Y154 F155 L156 | Y41-C152 HydrophobicContact CD1-CB 3.64Å; Y41-C152 HydrophobicContact CE1-CB 3.72Å; P148-C152 PolarHBondContact O-N 3.05Å; P148-C152 VanDerWaalsContact O-N 3.13Å; V150-C152 VanDerWaalsContact C-N 3.34Å; V150-C152 PolarHBondContact O-N 3.5Å; C152-Y154 PolarHBondContact O-N 3.04Å; C152-F155 PolarHBondContact O-N 3.33Å; C152-L156 WeakPolarHBondContact O-CB 3.47Å; C152-L156 WeakPolarHBondContact O-CG 3.29Å; C152-L156 PolarHBondContact O-N 2.9Å |
| 153 | T | 60.1 | Low | 70.6 | Confident | 8 Ų | 8 | 37.7 Ų | 37.7 | 5% | 0.049 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.9 | -27.7 | 178.4 | 49.5 | 0 | 0 | 0 | 0 | 112.9 | S44 V150 K157 F161 | S44-T153 WeakPolarHBondContact CB-OG1 3.45Å; V150-T153 PolarHBondContact O-N 3.31Å; V150-T153 PolarHBondContact O-OG1 3.03Å; T153-K157 PolarHBondContact O-N 3.18Å; T153-F161 HydrophobicContact CG2-CD2 4.4Å; T153-F161 HydrophobicContact CG2-CE2 4.03Å |
| 154 | Y | 62.4 | Low | 70.2 | Confident | 13 Ų | 13 | 42.3 Ų | 42.3 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -78.2 | -45.7 | 179.7 | -174.9 | -149.5 | 0 | 0 | 0 | 112.5 | T94 F97 V150 V151 C152 K157 Y351 | T94-Y154 VanDerWaalsContact CA-CE1 3.45Å; T94-Y154 VanDerWaalsContact CA-OH 3.32Å; T94-Y154 WeakPolarHBondContact CA-OH 3.35Å; T94-Y154 HydrophobicContact CG2-CD1 3.89Å; T94-Y154 HydrophobicContact CG2-CE1 3.68Å; T94-Y154 HydrophobicContact CG2-CE2 4.28Å; T94-Y154 HydrophobicContact CG2-CG 4.33Å; T94-Y154 PolarHBondContact OG1-OH 2.92Å; F97-Y154 HydrophobicContact CB-CE1 4.14Å; F97-Y154 AromaticContact CD1-CD1 3.71Å; F97-Y154 HydrophobicContact CD1-CD1 3.71Å; F97-Y154 AromaticContact CD1-CE1 3.59Å; F97-Y154 HydrophobicContact CD1-CE1 3.59Å; F97-Y154 HydrophobicContact CE1-CD1 4.33Å; F97-Y154 HydrophobicContact CE1-CE1 4.47Å; F97-Y154 HydrophobicContact CG-CE1 4.3Å; V150-Y154 PolarHBondContact O-N 3.36Å; V150-Y154 VanDerWaalsContact O-N 3.13Å; V151-Y154 PolarHBondContact O-N 3.19Å; C152-Y154 PolarHBondContact O-N 3.04Å; Y154-K157 WeakPolarHBondContact O-CG 3.3Å; Y154-K157 PolarHBondContact O-N 2.94Å; Y154-Y351 HydrophobicContact CE1-CE2 4.47Å; Y154-Y351 AromaticContact CE2-CZ 3.86Å; Y154-Y351 WeakPolarHBondContact CE2-OH 3.43Å; Y154-Y351 AromaticContact CZ-CE2 3.87Å; Y154-Y351 AromaticContact CZ-CZ 3.53Å; Y154-Y351 VanDerWaalsContact OH-CE2 3.24Å; Y154-Y351 WeakPolarHBondContact OH-CE2 3.06Å; Y154-Y351 PolarHBondContact OH-OH 3.46Å |
| 155 | F | 64.6 | Low | 69.5 | Low | 112 Ų | 112 | 42.9 Ų | 42.9 | 49% | 0.491 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.9 | -39.1 | 174.8 | -80.1 | -65.2 | 0 | 0 | 0 | 113 | T94 V151 C152 K157 | T94-F155 HydrophobicContact CG2-CD1 3.83Å; T94-F155 HydrophobicContact CG2-CE1 3.74Å; T94-F155 HydrophobicContact CG2-CZ 4.43Å; V151-F155 HydrophobicContact CG1-CD2 3.71Å; V151-F155 HydrophobicContact CG1-CE2 3.45Å; V151-F155 VanDerWaalsContact CG1-CE2 3.45Å; V151-F155 VanDerWaalsContact O-CD2 3.25Å; V151-F155 WeakPolarHBondContact O-CD2 3.39Å; V151-F155 PolarHBondContact O-N 2.94Å; V151-F155 VanDerWaalsContact O-N 3.08Å; C152-F155 PolarHBondContact O-N 3.33Å; F155-K157 VanDerWaalsContact C-N 3.32Å |
| 156 | L | 64.7 | Low | 68.8 | Low | 97 Ų | 97 | 41.3 Ų | 41.3 | 51% | 0.508 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -78.6 | -15.8 | -179.8 | -64.8 | 173.5 | 0 | 0 | 0 | 113.5 | C152 D158 Y160 | C152-L156 WeakPolarHBondContact O-CB 3.47Å; C152-L156 WeakPolarHBondContact O-CG 3.29Å; C152-L156 PolarHBondContact O-N 2.9Å; L156-D158 PolarHBondContact O-N 3.4Å; L156-Y160 HydrophobicContact CB-CE2 3.97Å; L156-Y160 HydrophobicContact CD1-CD2 4.01Å; L156-Y160 HydrophobicContact CD1-CE2 4.02Å |
| 157 | K | 64.4 | Low | 69 | Low | 114 Ų | 114 | 44.4 Ų | 44.4 | 50% | 0.496 | 23% | 0.226 | S | C | . | . | trans | 53.4 | 14.2 | -178.5 | -62.4 | -172.1 | 176.4 | -172.4 | 0 | 115.5 | T153 Y154 F155 K244 | T153-K157 PolarHBondContact O-N 3.18Å; Y154-K157 WeakPolarHBondContact O-CG 3.3Å; Y154-K157 PolarHBondContact O-N 2.94Å; F155-K157 VanDerWaalsContact C-N 3.32Å; K157-K244 WeakPolarHBondContact O-CD 3.44Å; K157-K244 WeakPolarHBondContact O-CE 3.41Å; K157-K244 PolarHBondContact O-NZ 3.39Å | ||
| 158 | D | 62.1 | Low | 69.2 | Low | 31 Ų | 31 | 49 Ų | 49 | 17% | 0.166 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -144.7 | 163.9 | -179.6 | -169.5 | 28.3 | 0 | 0 | 0 | 111.4 | L156 Y160 R245 | L156-D158 PolarHBondContact O-N 3.4Å; D158-Y160 HydrophobicContact CB-CE2 3.84Å; D158-R245 PolarHBondContact OD1-N 2.85Å |
| 159 | W | 66.9 | Low | 69.3 | Low | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | trans | -105 | 120.4 | -176.4 | 177.4 | -79.9 | 0 | 0 | 0 | 112.7 | N42 T45 F161 G162 C166 R245 C247 | N42-W159 VanDerWaalsContact CG-CH2 3.45Å; N42-W159 WeakPolarHBondContact ND2-CH2 3.43Å; N42-W159 WeakPolarHBondContact ND2-CZ3 3.16Å; N42-W159 VanDerWaalsContact OD1-CZ3 3.25Å; N42-W159 WeakPolarHBondContact OD1-CZ3 3.48Å; T45-W159 HydrophobicContact CG2-CE3 3.52Å; T45-W159 HydrophobicContact CG2-CZ3 3.75Å; T45-W159 VanDerWaalsContact OG1-CE3 3.25Å; T45-W159 WeakPolarHBondContact OG1-CZ3 3.47Å; W159-F161 HydrophobicContact CZ2-CB 3.75Å; W159-F161 HydrophobicContact CZ2-CD2 4.49Å; W159-G162 PolarHBondContact NE1-O 3.03Å; W159-C166 VanDerWaalsContact CH2-CA 3.41Å; W159-C166 HydrophobicContact CH2-CB 3.99Å; W159-C166 HydrophobicContact CZ2-CB 3.65Å; W159-R245 HydrophobicContact CB-CB 3.8Å; W159-R245 WeakPolarHBondContact CB-O 3.42Å; W159-C247 WeakPolarHBondContact CH2-SG 3.32Å; W159-C247 WeakPolarHBondContact CZ3-SG 3.46Å | ||
| 160 | Y | 68.6 | Low | 69.5 | Low | 131 Ų | 131 | 47.8 Ų | 47.8 | 51% | 0.514 | 24% | 0.242 | S | C | . | . | trans | -112.4 | -3.4 | -175.4 | -65 | -80.8 | 0 | 0 | 0 | 115.3 | L156 D158 | L156-Y160 HydrophobicContact CB-CE2 3.97Å; L156-Y160 HydrophobicContact CD1-CD2 4.01Å; L156-Y160 HydrophobicContact CD1-CE2 4.02Å; D158-Y160 HydrophobicContact CB-CE2 3.84Å | ||
| 161 | F | 66.1 | Low | 70.3 | Confident | 58 Ų | 58 | 48.2 Ų | 48.2 | 25% | 0.254 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -96.6 | 7 | -168.5 | -54 | -69.4 | 0 | 0 | 0 | 114.6 | Y41 T153 W159 G165 | Y41-F161 VanDerWaalsContact CB-CE1 3.42Å; Y41-F161 AromaticContact CD1-CE1 3.93Å; Y41-F161 HydrophobicContact CD1-CE1 3.93Å; Y41-F161 AromaticContact CD1-CE2 3.98Å; Y41-F161 HydrophobicContact CD1-CE2 3.98Å; Y41-F161 AromaticContact CD1-CZ 3.37Å; Y41-F161 HydrophobicContact CD1-CZ 3.37Å; Y41-F161 AromaticContact CD2-CD1 3.78Å; Y41-F161 HydrophobicContact CD2-CD1 3.78Å; Y41-F161 AromaticContact CD2-CE1 3.07Å; Y41-F161 HydrophobicContact CD2-CE1 3.07Å; Y41-F161 HydrophobicContact CD2-CE2 4.43Å; Y41-F161 AromaticContact CD2-CZ 3.49Å; Y41-F161 HydrophobicContact CD2-CZ 3.49Å; Y41-F161 VanDerWaalsContact CD2-CZ 3.49Å; Y41-F161 HydrophobicContact CE1-CE1 4.44Å; Y41-F161 AromaticContact CE1-CZ 3.98Å; Y41-F161 HydrophobicContact CE1-CZ 3.98Å; Y41-F161 AromaticContact CE2-CE1 3.7Å; Y41-F161 HydrophobicContact CE2-CE1 3.7Å; Y41-F161 HydrophobicContact CE2-CZ 4.09Å; Y41-F161 AromaticContact CG-CD1 3.93Å; Y41-F161 HydrophobicContact CG-CD1 3.93Å; Y41-F161 HydrophobicContact CG-CD2 4.35Å; Y41-F161 AromaticContact CG-CE1 3.2Å; Y41-F161 HydrophobicContact CG-CE1 3.2Å; Y41-F161 AromaticContact CG-CE2 3.7Å; Y41-F161 HydrophobicContact CG-CE2 3.7Å; Y41-F161 HydrophobicContact CG-CG 4.48Å; Y41-F161 AromaticContact CG-CZ 3.07Å; Y41-F161 HydrophobicContact CG-CZ 3.07Å; T153-F161 HydrophobicContact CG2-CD2 4.4Å; T153-F161 HydrophobicContact CG2-CE2 4.03Å; W159-F161 HydrophobicContact CZ2-CB 3.75Å; W159-F161 HydrophobicContact CZ2-CD2 4.49Å; F161-G165 PolarHBondContact O-N 2.9Å; F161-G165 VanDerWaalsContact O-N 3.16Å |
| 162 | G | 73.7 | Confident | 71.2 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 24% | 0.237 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | 61.6 | 179.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | W159 V164 G165 C166 E233 | W159-G162 PolarHBondContact NE1-O 3.03Å; G162-V164 PolarHBondContact O-N 3.29Å; G162-G165 PolarHBondContact O-N 2.99Å; G162-C166 WeakPolarHBondContact O-CB 3.41Å; G162-C166 PolarHBondContact O-N 2.9Å; G162-C166 VanDerWaalsContact O-N 3.13Å; G162-E233 WeakPolarHBondContact CA-OE2 3.07Å |
| 163 | D | 76.1 | Confident | 72 | Confident | 50 Ų | 50 | 47.6 Ų | 47.6 | 27% | 0.267 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.4 | -30.6 | 173.9 | -169.6 | 70.5 | 0 | 0 | 0 | 113.5 | C166 R167 T232 E233 | D163-C166 WeakPolarHBondContact O-CB 3.44Å; D163-C166 PolarHBondContact O-N 3.19Å; D163-R167 WeakPolarHBondContact O-CG 3.45Å; D163-R167 PolarHBondContact O-N 3.41Å; D163-R167 VanDerWaalsContact O-N 3.11Å; D163-R167 IonicContact OD1-NE 3.53Å; D163-R167 IonicContact OD1-NH2 3.27Å; D163-R167 IonicContact OD2-CZ 3.93Å; D163-R167 VanDerWaalsContact OD2-CZ 3.27Å; D163-R167 IonicContact OD2-NE 2.91Å; D163-R167 PolarHBondContact OD2-NE 3.16Å; D163-R167 IonicContact OD2-NH2 3.25Å; D163-R167 PolarHBondContact OD2-NH2 3.11Å; D163-T232 WeakPolarHBondContact OD1-CA 3.48Å; D163-E233 HydrophobicContact CB-CB 4.05Å; D163-E233 PolarHBondContact N-OE2 3.33Å; D163-E233 PolarHBondContact OD1-N 2.88Å |
| 164 | V | 78.7 | Confident | 73.1 | Confident | 101 Ų | 101 | 48.2 Ų | 48.2 | 61% | 0.612 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -70.4 | -48.5 | 179.5 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | G162 C166 R167 I168 | G162-V164 PolarHBondContact O-N 3.29Å; V164-C166 PolarHBondContact O-N 3.47Å; V164-R167 PolarHBondContact O-N 2.84Å; V164-I168 HydrophobicContact CG1-CD1 3.67Å; V164-I168 HydrophobicContact CG1-CG1 4.42Å; V164-I168 VanDerWaalsContact O-CG1 3.29Å; V164-I168 WeakPolarHBondContact O-CG1 3.49Å; V164-I168 PolarHBondContact O-N 3.17Å |
| 165 | G | 72.8 | Confident | 74.3 | Confident | 13 Ų | 13 | 48.8 Ų | 48.8 | 13% | 0.134 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -31.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F161 G162 L169 | F161-G165 PolarHBondContact O-N 2.9Å; F161-G165 VanDerWaalsContact O-N 3.16Å; G162-G165 PolarHBondContact O-N 2.99Å; G165-L169 VanDerWaalsContact O-CB 3.27Å; G165-L169 WeakPolarHBondContact O-CB 3.25Å; G165-L169 WeakPolarHBondContact O-CG 3.28Å; G165-L169 PolarHBondContact O-N 3.31Å; G165-L169 VanDerWaalsContact O-N 3.09Å |
| 166 | C | 73.2 | Confident | 75.4 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.4 | -53.3 | 179.7 | -176.4 | 0 | 0 | 0 | 0 | 110.8 | W159 G162 D163 V164 L170 V231 C247 | W159-C166 VanDerWaalsContact CH2-CA 3.41Å; W159-C166 HydrophobicContact CH2-CB 3.99Å; W159-C166 HydrophobicContact CZ2-CB 3.65Å; G162-C166 WeakPolarHBondContact O-CB 3.41Å; G162-C166 PolarHBondContact O-N 2.9Å; G162-C166 VanDerWaalsContact O-N 3.13Å; D163-C166 WeakPolarHBondContact O-CB 3.44Å; D163-C166 PolarHBondContact O-N 3.19Å; V164-C166 PolarHBondContact O-N 3.47Å; C166-L170 WeakPolarHBondContact O-CD1 3.25Å; C166-L170 PolarHBondContact O-N 3.45Å; C166-V231 WeakPolarHBondContact SG-CG1 3.32Å; C166-C247 WeakPolarHBondContact CA-SG 3.4Å; C166-C247 HydrophobicContact CB-CB 4.35Å; C166-C247 WeakPolarHBondContact CB-SG 3.48Å; C166-C247 VanDerWaalsContact SG-CA 3.53Å; C166-C247 WeakPolarHBondContact SG-CB 3.37Å; C166-C247 CovalentContact SG-SG 2Å; C166-C247 PolarHBondContact SG-SG 2.73Å |
| 167 | R | 79.7 | Confident | 76.4 | Confident | 64 Ų | 64 | 39.1 Ų | 39.1 | 24% | 0.242 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.9 | -51.1 | 177.5 | -63.8 | 171.4 | -168.4 | -80.8 | -2.8 | 112.1 | D163 V164 L169 S171 T228 V229 V231 | D163-R167 WeakPolarHBondContact O-CG 3.45Å; D163-R167 PolarHBondContact O-N 3.41Å; D163-R167 VanDerWaalsContact O-N 3.11Å; D163-R167 IonicContact OD1-NE 3.53Å; D163-R167 IonicContact OD1-NH2 3.27Å; D163-R167 IonicContact OD2-CZ 3.93Å; D163-R167 VanDerWaalsContact OD2-CZ 3.27Å; D163-R167 IonicContact OD2-NE 2.91Å; D163-R167 PolarHBondContact OD2-NE 3.16Å; D163-R167 IonicContact OD2-NH2 3.25Å; D163-R167 PolarHBondContact OD2-NH2 3.11Å; V164-R167 PolarHBondContact O-N 2.84Å; R167-L169 VanDerWaalsContact C-N 3.3Å; R167-L169 PolarHBondContact O-N 2.99Å; R167-S171 WeakPolarHBondContact O-CB 3.42Å; R167-S171 PolarHBondContact O-N 3.2Å; R167-S171 VanDerWaalsContact O-N 3.1Å; R167-S171 PolarHBondContact O-OG 3.28Å; R167-T228 HydrophobicContact CB-CG2 4.35Å; R167-T228 WeakPolarHBondContact CG-O 3.39Å; R167-T228 PolarHBondContact NH1-O 3.35Å; R167-T228 VanDerWaalsContact NH1-O 3.11Å; R167-V229 PolarHBondContact NH1-O 3.11Å; R167-V231 VanDerWaalsContact CZ-O 3.24Å; R167-V231 PolarHBondContact NH1-O 2.97Å |
| 168 | I | 81.1 | Confident | 77.5 | Confident | 98 Ų | 98 | 33.7 Ų | 33.7 | 50% | 0.503 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.8 | -42.2 | -172.2 | -65.5 | 173.3 | 0 | 0 | 0 | 110.7 | V164 S171 L172 | V164-I168 HydrophobicContact CG1-CD1 3.67Å; V164-I168 HydrophobicContact CG1-CG1 4.42Å; V164-I168 VanDerWaalsContact O-CG1 3.29Å; V164-I168 WeakPolarHBondContact O-CG1 3.49Å; V164-I168 PolarHBondContact O-N 3.17Å; I168-S171 PolarHBondContact O-N 3.47Å; I168-L172 VanDerWaalsContact O-CB 3.29Å; I168-L172 WeakPolarHBondContact O-CB 3.39Å; I168-L172 PolarHBondContact O-N 3.1Å |
| 169 | L | 75.5 | Confident | 78.9 | Confident | 23 Ų | 23 | 32.2 Ų | 32.2 | 12% | 0.12 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -87.9 | -35.6 | -165.9 | -57.6 | 179.5 | 0 | 0 | 0 | 113.2 | Y41 N42 F149 G165 R167 S171 L172 D173 | Y41-L169 WeakPolarHBondContact O-CD1 3.45Å; N42-L169 HydrophobicContact CB-CB 3.55Å; N42-L169 HydrophobicContact CB-CD1 3.85Å; N42-L169 HydrophobicContact CB-CG 4.32Å; F149-L169 HydrophobicContact CD1-CD1 4.12Å; F149-L169 HydrophobicContact CD1-CD2 4.22Å; F149-L169 HydrophobicContact CE1-CD1 4.06Å; F149-L169 HydrophobicContact CE1-CD2 3.58Å; F149-L169 HydrophobicContact CE1-CG 4.42Å; G165-L169 VanDerWaalsContact O-CB 3.27Å; G165-L169 WeakPolarHBondContact O-CB 3.25Å; G165-L169 WeakPolarHBondContact O-CG 3.28Å; G165-L169 PolarHBondContact O-N 3.31Å; G165-L169 VanDerWaalsContact O-N 3.09Å; R167-L169 VanDerWaalsContact C-N 3.3Å; R167-L169 PolarHBondContact O-N 2.99Å; L169-S171 PolarHBondContact O-N 2.94Å; L169-L172 HydrophobicContact CD2-CD2 4.46Å; L169-D173 WeakPolarHBondContact O-CB 3.43Å; L169-D173 PolarHBondContact O-N 2.74Å |
| 170 | L | 75.1 | Confident | 80 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.2 | -33.7 | 165.4 | -81.4 | 87.2 | 0 | 0 | 0 | 111.7 | I46 C166 L174 M227 V231 C247 | I46-L170 HydrophobicContact CD1-CD2 4.35Å; I46-L170 HydrophobicContact CD1-CG 3.99Å; I46-L170 HydrophobicContact CG1-CD1 4.45Å; I46-L170 HydrophobicContact CG1-CD2 3.62Å; I46-L170 HydrophobicContact CG1-CG 3.6Å; C166-L170 WeakPolarHBondContact O-CD1 3.25Å; C166-L170 PolarHBondContact O-N 3.45Å; L170-L174 PolarHBondContact O-N 2.9Å; L170-M227 HydrophobicContact CD2-CE 3.99Å; L170-V231 HydrophobicContact CD2-CG1 4.13Å; L170-V231 HydrophobicContact CD2-CG2 4.09Å; L170-C247 HydrophobicContact CD1-CB 4.25Å |
| 171 | S | 81.4 | Confident | 80.9 | Confident | 11 Ų | 11 | 26.5 Ų | 26.5 | 8% | 0.077 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -74.9 | -42.1 | 178.3 | -55.3 | 0 | 0 | 0 | 0 | 112.5 | R167 I168 L169 D173 L175 T228 | R167-S171 WeakPolarHBondContact O-CB 3.42Å; R167-S171 PolarHBondContact O-N 3.2Å; R167-S171 VanDerWaalsContact O-N 3.1Å; R167-S171 PolarHBondContact O-OG 3.28Å; I168-S171 PolarHBondContact O-N 3.47Å; L169-S171 PolarHBondContact O-N 2.94Å; S171-D173 VanDerWaalsContact C-N 3.31Å; S171-D173 PolarHBondContact O-N 2.98Å; S171-L175 WeakPolarHBondContact O-CB 3.3Å; S171-L175 PolarHBondContact O-N 3.29Å; S171-T228 WeakPolarHBondContact CB-OG1 3.46Å; S171-T228 WeakPolarHBondContact OG-CA 3.49Å; S171-T228 VanDerWaalsContact OG-CB 3.28Å; S171-T228 WeakPolarHBondContact OG-CB 3.39Å; S171-T228 WeakPolarHBondContact OG-CG2 3.5Å; S171-T228 PolarHBondContact OG-OG1 3.29Å |
| 172 | L | 83.6 | Confident | 82.1 | Confident | 36 Ų | 36 | 24.7 Ų | 24.7 | 19% | 0.188 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.1 | -41.8 | 178.5 | -178.2 | 64.1 | 0 | 0 | 0 | 111.4 | L142 T146 I168 L169 L175 T176 | L142-L172 HydrophobicContact CB-CD1 4.37Å; T146-L172 HydrophobicContact CG2-CD2 4.25Å; T146-L172 HydrophobicContact CG2-CG 4.43Å; I168-L172 VanDerWaalsContact O-CB 3.29Å; I168-L172 WeakPolarHBondContact O-CB 3.39Å; I168-L172 PolarHBondContact O-N 3.1Å; L169-L172 HydrophobicContact CD2-CD2 4.46Å; L172-L175 PolarHBondContact O-N 3.07Å; L172-T176 HydrophobicContact CD1-CG2 3.86Å; L172-T176 HydrophobicContact CG-CG2 4.33Å; L172-T176 WeakPolarHBondContact O-CB 3.23Å; L172-T176 WeakPolarHBondContact O-CG2 3.35Å; L172-T176 PolarHBondContact O-N 2.67Å; L172-T176 PolarHBondContact O-OG1 2.92Å |
| 173 | D | 80.5 | Confident | 82.9 | Confident | 9 Ų | 9 | 24 Ų | 24 | 5% | 0.048 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.4 | -54.7 | 178.6 | -170.3 | 81.2 | 0 | 0 | 0 | 112 | F43 Y143 T146 L169 S171 L175 T176 M177 | F43-D173 WeakPolarHBondContact CD2-OD1 3.43Å; F43-D173 WeakPolarHBondContact CE2-OD1 3.43Å; F43-D173 VanDerWaalsContact CE2-OD2 3.29Å; F43-D173 WeakPolarHBondContact CE2-OD2 3.45Å; Y143-D173 WeakPolarHBondContact CD2-OD1 3.2Å; Y143-D173 WeakPolarHBondContact CE2-OD1 3.34Å; T146-D173 HydrophobicContact CG2-CB 4.42Å; T146-D173 PolarHBondContact OG1-OD1 2.68Å; L169-D173 WeakPolarHBondContact O-CB 3.43Å; L169-D173 PolarHBondContact O-N 2.74Å; S171-D173 VanDerWaalsContact C-N 3.31Å; S171-D173 PolarHBondContact O-N 2.98Å; D173-L175 VanDerWaalsContact C-N 3.34Å; D173-L175 PolarHBondContact O-N 3.23Å; D173-T176 PolarHBondContact O-N 3.09Å; D173-T176 PolarHBondContact O-OG1 2.95Å; D173-M177 WeakPolarHBondContact O-CB 3.41Å; D173-M177 PolarHBondContact O-N 2.92Å |
| 174 | L | 83.1 | Confident | 83.3 | Confident | 22 Ų | 22 | 22 Ų | 22 | 12% | 0.115 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.2 | -41.4 | 175.4 | -69.6 | 171.3 | 0 | 0 | 0 | 112 | L170 T176 M177 H178 T224 M227 | L170-L174 PolarHBondContact O-N 2.9Å; L174-T176 PolarHBondContact O-N 3.49Å; L174-M177 HydrophobicContact CD2-CE 4.27Å; L174-M177 PolarHBondContact O-N 3.33Å; L174-H178 PolarHBondContact O-CD2 3.28Å; L174-H178 PolarHBondContact O-N 3.16Å; L174-T224 HydrophobicContact CB-CG2 3.58Å; L174-M227 HydrophobicContact CD1-CB 3.93Å; L174-M227 HydrophobicContact CD1-CG 3.69Å |
| 175 | L | 88.3 | Confident | 83.8 | Confident | 25 Ų | 25 | 17.8 Ų | 17.8 | 13% | 0.131 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.4 | -47.8 | -176.7 | 169.3 | 61.9 | 0 | 0 | 0 | 110.7 | S171 L172 D173 H178 A179 W217 L221 T224 | S171-L175 WeakPolarHBondContact O-CB 3.3Å; S171-L175 PolarHBondContact O-N 3.29Å; L172-L175 PolarHBondContact O-N 3.07Å; D173-L175 VanDerWaalsContact C-N 3.34Å; D173-L175 PolarHBondContact O-N 3.23Å; L175-H178 PolarHBondContact O-N 3.36Å; L175-A179 VanDerWaalsContact O-CB 3.25Å; L175-A179 WeakPolarHBondContact O-CB 3.19Å; L175-A179 PolarHBondContact O-N 2.91Å; L175-W217 HydrophobicContact CD1-CE3 4.47Å; L175-L221 HydrophobicContact CD1-CB 4.41Å; L175-L221 HydrophobicContact CD1-CD2 3.79Å; L175-L221 HydrophobicContact CD1-CG 3.75Å; L175-L221 HydrophobicContact CD2-CD2 3.81Å; L175-L221 HydrophobicContact CG-CD2 4.45Å; L175-T224 HydrophobicContact CB-CG2 3.89Å; L175-T224 VanDerWaalsContact N-CG2 3.32Å |
| 176 | T | 88.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -71.8 | -39.5 | -177.8 | 53.3 | 0 | 0 | 0 | 0 | 111.3 | A139 L142 Y143 L172 D173 L174 A179 S180 | A139-T176 WeakPolarHBondContact O-CB 3.39Å; L142-T176 HydrophobicContact CB-CG2 3.38Å; L142-T176 HydrophobicContact CD1-CG2 4.34Å; Y143-T176 WeakPolarHBondContact CA-OG1 3.38Å; Y143-T176 WeakPolarHBondContact CB-OG1 3.35Å; Y143-T176 WeakPolarHBondContact CD2-OG1 2.99Å; L172-T176 HydrophobicContact CD1-CG2 3.86Å; L172-T176 HydrophobicContact CG-CG2 4.33Å; L172-T176 WeakPolarHBondContact O-CB 3.23Å; L172-T176 WeakPolarHBondContact O-CG2 3.35Å; L172-T176 PolarHBondContact O-N 2.67Å; L172-T176 PolarHBondContact O-OG1 2.92Å; D173-T176 PolarHBondContact O-N 3.09Å; D173-T176 PolarHBondContact O-OG1 2.95Å; L174-T176 PolarHBondContact O-N 3.49Å; T176-A179 PolarHBondContact O-N 2.85Å; T176-S180 PolarHBondContact O-N 2.92Å; T176-S180 PolarHBondContact O-OG 2.94Å |
| 177 | M | 85 | Confident | 85 | Confident | 6 Ų | 6 | 18.7 Ų | 18.7 | 3% | 0.03 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -54.8 | -54.9 | 168.9 | -178.7 | -158.5 | 71.8 | 0 | 0 | 111.6 | Y143 D173 L174 A179 S180 I181 F322 W326 | Y143-M177 HydrophobicContact CE2-CB 4.45Å; D173-M177 WeakPolarHBondContact O-CB 3.41Å; D173-M177 PolarHBondContact O-N 2.92Å; L174-M177 HydrophobicContact CD2-CE 4.27Å; L174-M177 PolarHBondContact O-N 3.33Å; M177-A179 VanDerWaalsContact C-N 3.33Å; M177-A179 PolarHBondContact O-N 3.48Å; M177-S180 PolarHBondContact O-N 2.87Å; M177-I181 HydrophobicContact CE-CD1 4.35Å; M177-I181 HydrophobicContact CG-CD1 4.01Å; M177-I181 VanDerWaalsContact O-CG1 3.23Å; M177-I181 WeakPolarHBondContact O-CG1 3.28Å; M177-I181 PolarHBondContact O-N 3.45Å; M177-I181 VanDerWaalsContact O-N 3.1Å; M177-F322 HydrophobicContact CG-CD1 4.26Å; M177-F322 HydrophobicContact CG-CE1 3.48Å; M177-F322 VanDerWaalsContact CG-CE1 3.48Å; M177-F322 HydrophobicContact CG-CZ 3.97Å; M177-F322 HydrophobicContact SD-CD1 4.08Å; M177-F322 HydrophobicContact SD-CE1 3.73Å; M177-W326 HydrophobicContact CE-CZ2 3.76Å; M177-W326 HydrophobicContact SD-CZ2 4.24Å |
| 178 | H | 88.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.5 | -39.9 | 178.5 | -66.4 | -57.8 | 0 | 0 | 0 | 112 | L174 L175 I181 F182 S220 S267 | L174-H178 PolarHBondContact O-CD2 3.28Å; L174-H178 PolarHBondContact O-N 3.16Å; L175-H178 PolarHBondContact O-N 3.36Å; H178-I181 PolarHBondContact O-N 3.49Å; H178-F182 HydrophobicContact CB-CD2 4.49Å; H178-F182 HydrophobicContact CB-CE2 4.04Å; H178-F182 VanDerWaalsContact O-CD2 3.28Å; H178-F182 WeakPolarHBondContact O-CD2 3.48Å; H178-F182 WeakPolarHBondContact O-CG 3.39Å; H178-F182 PolarHBondContact O-N 3.19Å; H178-S220 WeakPolarHBondContact CB-OG 3.2Å; H178-S267 PolarHBondContact CE1-OG 3.28Å; H178-S267 PolarHBondContact ND1-OG 3.27Å |
| 179 | A | 91.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A139 L175 T176 M177 T183 V216 W217 S220 | A139-A179 HydrophobicContact CB-CB 4.05Å; L175-A179 VanDerWaalsContact O-CB 3.25Å; L175-A179 WeakPolarHBondContact O-CB 3.19Å; L175-A179 PolarHBondContact O-N 2.91Å; T176-A179 PolarHBondContact O-N 2.85Å; M177-A179 VanDerWaalsContact C-N 3.33Å; M177-A179 PolarHBondContact O-N 3.48Å; A179-T183 WeakPolarHBondContact O-CB 3.39Å; A179-T183 PolarHBondContact O-N 3.35Å; A179-T183 PolarHBondContact O-OG1 3.27Å; A179-V216 HydrophobicContact CB-CG1 4.44Å; A179-W217 HydrophobicContact CB-CD2 4.45Å; A179-W217 HydrophobicContact CB-CE3 4.08Å; A179-W217 HydrophobicContact CB-CH2 4.2Å; A179-W217 HydrophobicContact CB-CZ3 3.95Å; A179-S220 VanDerWaalsContact CA-OG 3.31Å; A179-S220 WeakPolarHBondContact CA-OG 3.31Å; A179-S220 PolarHBondContact N-OG 3.06Å |
| 180 | S | 89.6 | Confident | 85.4 | Confident | 9 Ų | 9 | 13.1 Ų | 13.1 | 6% | 0.063 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 174.6 | -72.3 | 0 | 0 | 0 | 0 | 111.7 | L136 A139 D140 T176 M177 T183 L184 | L136-S180 WeakPolarHBondContact CD1-OG 3.38Å; A139-S180 WeakPolarHBondContact CB-OG 3.14Å; D140-S180 PolarHBondContact OD1-OG 2.74Å; T176-S180 PolarHBondContact O-N 2.92Å; T176-S180 PolarHBondContact O-OG 2.94Å; M177-S180 PolarHBondContact O-N 2.87Å; S180-T183 PolarHBondContact O-N 3.3Å; S180-L184 WeakPolarHBondContact O-CB 3.46Å; S180-L184 PolarHBondContact O-N 3.41Å |
| 181 | I | 87.9 | Confident | 85.6 | Confident | 4 Ų | 4 | 15 Ų | 15 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.8 | -52.4 | 177.9 | -67.8 | 170.7 | 0 | 0 | 0 | 112.1 | M177 H178 L184 T185 S267 P271 F318 | M177-I181 HydrophobicContact CE-CD1 4.35Å; M177-I181 HydrophobicContact CG-CD1 4.01Å; M177-I181 VanDerWaalsContact O-CG1 3.23Å; M177-I181 WeakPolarHBondContact O-CG1 3.28Å; M177-I181 PolarHBondContact O-N 3.45Å; M177-I181 VanDerWaalsContact O-N 3.1Å; H178-I181 PolarHBondContact O-N 3.49Å; I181-L184 PolarHBondContact O-N 2.84Å; I181-T185 PolarHBondContact O-N 3.45Å; I181-T185 PolarHBondContact O-OG1 3.11Å; I181-S267 WeakPolarHBondContact CG2-O 3.49Å; I181-P271 HydrophobicContact CG2-CB 4.06Å; I181-P271 HydrophobicContact CG2-CG 3.69Å; I181-F318 HydrophobicContact CB-CZ 4.46Å; I181-F318 HydrophobicContact CD1-CE2 3.78Å; I181-F318 HydrophobicContact CD1-CZ 3.67Å; I181-F318 HydrophobicContact CG1-CD2 4.39Å; I181-F318 HydrophobicContact CG1-CE2 3.37Å; I181-F318 HydrophobicContact CG1-CZ 3.51Å; I181-F318 HydrophobicContact CG2-CZ 4.24Å |
| 182 | F | 91.4 | Very high | 85.3 | Confident | 20 Ų | 20 | 16.5 Ų | 16.5 | 9% | 0.088 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -71.6 | -33.2 | -178.1 | -57.7 | -36.2 | 0 | 0 | 0 | 111.5 | H178 T185 V186 V216 L219 S220 L223 T266 P271 | H178-F182 HydrophobicContact CB-CD2 4.49Å; H178-F182 HydrophobicContact CB-CE2 4.04Å; H178-F182 VanDerWaalsContact O-CD2 3.28Å; H178-F182 WeakPolarHBondContact O-CD2 3.48Å; H178-F182 WeakPolarHBondContact O-CG 3.39Å; H178-F182 PolarHBondContact O-N 3.19Å; F182-T185 PolarHBondContact O-N 3.41Å; F182-V186 WeakPolarHBondContact O-CG2 3.42Å; F182-V186 PolarHBondContact O-N 3.02Å; F182-V216 HydrophobicContact CB-CB 4.32Å; F182-V216 HydrophobicContact CB-CG1 3.8Å; F182-V216 HydrophobicContact CB-CG2 3.85Å; F182-L219 HydrophobicContact CD2-CB 4.48Å; F182-L219 HydrophobicContact CD2-CD2 3.94Å; F182-L219 HydrophobicContact CD2-CG 4.18Å; F182-L219 HydrophobicContact CE1-CD2 4.48Å; F182-L219 HydrophobicContact CE2-CB 4.38Å; F182-L219 HydrophobicContact CE2-CD2 3.74Å; F182-L219 HydrophobicContact CE2-CG 3.73Å; F182-L219 HydrophobicContact CG-CD2 4.42Å; F182-L219 HydrophobicContact CZ-CD2 4.04Å; F182-L219 HydrophobicContact CZ-CG 4.29Å; F182-S220 WeakPolarHBondContact CD2-OG 3.49Å; F182-L223 HydrophobicContact CE2-CD1 3.8Å; F182-L223 HydrophobicContact CZ-CD1 3.57Å; F182-T266 WeakPolarHBondContact CE1-O 3.06Å; F182-P271 HydrophobicContact CD1-CG 4.43Å; F182-P271 HydrophobicContact CE1-CG 4.24Å |
| 183 | T | 89.9 | Confident | 85.1 | Confident | 7 Ų | 7 | 16.3 Ų | 16.3 | 4% | 0.043 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | 172.3 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | S132 N135 L136 A179 S180 T185 V186 M187 | S132-T183 WeakPolarHBondContact O-CG2 3.4Å; N135-T183 HydrophobicContact CB-CG2 4.29Å; L136-T183 HydrophobicContact CB-CG2 3.85Å; A179-T183 WeakPolarHBondContact O-CB 3.39Å; A179-T183 PolarHBondContact O-N 3.35Å; A179-T183 PolarHBondContact O-OG1 3.27Å; S180-T183 PolarHBondContact O-N 3.3Å; T183-T185 VanDerWaalsContact C-N 3.34Å; T183-V186 PolarHBondContact O-N 3Å; T183-M187 WeakPolarHBondContact O-CB 3.46Å; T183-M187 PolarHBondContact O-N 2.95Å |
| 184 | L | 85.6 | Confident | 84.8 | Confident | 8 Ų | 8 | 17.4 Ų | 17.4 | 4% | 0.042 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.4 | -39.5 | 173.4 | -177.5 | 60.8 | 0 | 0 | 0 | 111.7 | S180 I181 M187 C188 I314 F318 | S180-L184 WeakPolarHBondContact O-CB 3.46Å; S180-L184 PolarHBondContact O-N 3.41Å; I181-L184 PolarHBondContact O-N 2.84Å; L184-M187 HydrophobicContact CD1-SD 4.19Å; L184-M187 WeakPolarHBondContact O-CB 3.38Å; L184-M187 PolarHBondContact O-N 3.34Å; L184-C188 PolarHBondContact O-N 3.42Å; L184-C188 PolarHBondContact O-SG 2.93Å; L184-I314 HydrophobicContact CD1-CB 4.06Å; L184-I314 HydrophobicContact CD1-CD1 4.49Å; L184-I314 HydrophobicContact CD1-CG2 3.69Å; L184-I314 HydrophobicContact CD2-CG2 3.98Å; L184-F318 HydrophobicContact CD2-CB 4.05Å; L184-F318 HydrophobicContact CD2-CG 4.28Å |
| 185 | T | 88.3 | Confident | 84.2 | Confident | 14 Ų | 14 | 18.3 Ų | 18.3 | 9% | 0.086 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.2 | -43.4 | 177.2 | -52.7 | 0 | 0 | 0 | 0 | 112.1 | I181 F182 T183 C188 T189 I274 I275 | I181-T185 PolarHBondContact O-N 3.45Å; I181-T185 PolarHBondContact O-OG1 3.11Å; F182-T185 PolarHBondContact O-N 3.41Å; T183-T185 VanDerWaalsContact C-N 3.34Å; T185-C188 PolarHBondContact O-N 3.18Å; T185-T189 PolarHBondContact O-N 3.4Å; T185-T189 PolarHBondContact O-OG1 2.75Å; T185-I274 HydrophobicContact CG2-CB 4.4Å; T185-I274 HydrophobicContact CG2-CD1 4.38Å; T185-I274 HydrophobicContact CG2-CG2 3.96Å; T185-I275 HydrophobicContact CG2-CD1 4.48Å; T185-I275 HydrophobicContact CG2-CG1 4.36Å |
| 186 | V | 88.6 | Confident | 83.4 | Confident | 30 Ų | 30 | 19.3 Ų | 19.3 | 18% | 0.182 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61 | -45.1 | 172.5 | 167.8 | 0 | 0 | 0 | 0 | 110.5 | F182 T183 C188 T189 E190 L212 V216 | F182-V186 WeakPolarHBondContact O-CG2 3.42Å; F182-V186 PolarHBondContact O-N 3.02Å; T183-V186 PolarHBondContact O-N 3Å; V186-C188 PolarHBondContact O-N 3.43Å; V186-T189 PolarHBondContact O-N 3.18Å; V186-E190 HydrophobicContact CG1-CG 4.31Å; V186-E190 WeakPolarHBondContact O-CG 3.35Å; V186-E190 PolarHBondContact O-N 3.12Å; V186-L212 HydrophobicContact CG1-CB 4.49Å; V186-L212 HydrophobicContact CG1-CD1 3.96Å; V186-V216 HydrophobicContact CG2-CG2 3.89Å |
| 187 | M | 83.3 | Confident | 82.5 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55 | -49.5 | 174 | 167.3 | 179.4 | -170.8 | 0 | 0 | 112 | M129 T183 L184 T189 E190 R191 M310 I311 I314 Y368 | M129-M187 HydrophobicContact CE-CB 3.82Å; M129-M187 HydrophobicContact CE-CE 3.67Å; M129-M187 HydrophobicContact CE-CG 3.38Å; M129-M187 HydrophobicContact CE-SD 3.3Å; M129-M187 WeakPolarHBondContact CE-SD 3.3Å; M129-M187 HydrophobicContact SD-CE 3.63Å; M129-M187 HydrophobicContact SD-CG 3.7Å; M129-M187 HydrophobicContact SD-SD 4Å; T183-M187 WeakPolarHBondContact O-CB 3.46Å; T183-M187 PolarHBondContact O-N 2.95Å; L184-M187 HydrophobicContact CD1-SD 4.19Å; L184-M187 WeakPolarHBondContact O-CB 3.38Å; L184-M187 PolarHBondContact O-N 3.34Å; M187-T189 VanDerWaalsContact C-N 3.28Å; M187-T189 PolarHBondContact O-N 2.94Å; M187-E190 PolarHBondContact O-N 3.17Å; M187-R191 HydrophobicContact CG-CG 4.47Å; M187-R191 WeakPolarHBondContact O-CB 3.27Å; M187-R191 WeakPolarHBondContact O-CG 3.48Å; M187-R191 PolarHBondContact O-N 2.94Å; M187-R191 VanDerWaalsContact O-N 3.11Å; M187-M310 HydrophobicContact CE-CE 4.05Å; M187-I311 HydrophobicContact CE-CD1 4.17Å; M187-I311 HydrophobicContact CE-CG1 3.67Å; M187-I314 HydrophobicContact CE-CD1 4.34Å; M187-Y368 HydrophobicContact CE-CE1 3.6Å; M187-Y368 HydrophobicContact SD-CE1 3.79Å; M187-Y368 PolarHBondContact SD-OH 2.96Å |
| 188 | C | 80.6 | Confident | 81.7 | Confident | 7 Ų | 7 | 27.6 Ų | 27.6 | 5% | 0.047 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.1 | -45 | 177.7 | -65.3 | 0 | 0 | 0 | 0 | 110.9 | L184 T185 V186 R191 Y192 I275 I311 | L184-C188 PolarHBondContact O-N 3.42Å; L184-C188 PolarHBondContact O-SG 2.93Å; T185-C188 PolarHBondContact O-N 3.18Å; V186-C188 PolarHBondContact O-N 3.43Å; C188-R191 PolarHBondContact O-N 2.78Å; C188-Y192 PolarHBondContact O-N 3.04Å; C188-I275 HydrophobicContact CB-CG1 4.12Å; C188-I311 HydrophobicContact CB-CG2 4.26Å; C188-I311 WeakPolarHBondContact SG-CG2 3.48Å |
| 189 | T | 83.3 | Confident | 80.4 | Confident | 45 Ų | 45 | 33.7 Ų | 33.7 | 28% | 0.276 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66 | -47.3 | -178.8 | -53.7 | 0 | 0 | 0 | 0 | 112.4 | T185 V186 M187 R191 Y192 L193 | T185-T189 PolarHBondContact O-N 3.4Å; T185-T189 PolarHBondContact O-OG1 2.75Å; V186-T189 PolarHBondContact O-N 3.18Å; M187-T189 VanDerWaalsContact C-N 3.28Å; M187-T189 PolarHBondContact O-N 2.94Å; T189-R191 PolarHBondContact O-N 2.91Å; T189-Y192 PolarHBondContact O-N 3.34Å; T189-L193 HydrophobicContact CG2-CD1 4.11Å; T189-L193 WeakPolarHBondContact O-CB 3.26Å; T189-L193 VanDerWaalsContact O-CG 3.29Å; T189-L193 WeakPolarHBondContact O-CG 3.45Å; T189-L193 PolarHBondContact O-N 2.91Å |
| 190 | E | 80.8 | Confident | 79.1 | Confident | 17 Ų | 17 | 37.9 Ų | 37.9 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.2 | -34.7 | 175.2 | -73 | -162.7 | 112.7 | 0 | 0 | 111.8 | S132 V186 M187 A194 R209 | S132-E190 PolarHBondContact OG-OE2 2.77Å; V186-E190 HydrophobicContact CG1-CG 4.31Å; V186-E190 WeakPolarHBondContact O-CG 3.35Å; V186-E190 PolarHBondContact O-N 3.12Å; M187-E190 PolarHBondContact O-N 3.17Å; E190-A194 WeakPolarHBondContact O-CB 3.47Å; E190-A194 PolarHBondContact O-N 3.34Å; E190-R209 VanDerWaalsContact OE1-CD 3.24Å; E190-R209 WeakPolarHBondContact OE1-CD 3.4Å; E190-R209 WeakPolarHBondContact OE1-CG 3.44Å; E190-R209 IonicContact OE1-NE 2.59Å; E190-R209 PolarHBondContact OE1-NE 2.94Å |
| 191 | R | 77.7 | Confident | 77.8 | Confident | 44 Ų | 44 | 38.4 Ų | 38.4 | 17% | 0.166 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -79.6 | -39.7 | -177 | -67.4 | -75.3 | -174.8 | -173 | 5.9 | 112.5 | M129 M187 C188 T189 L193 A194 V195 I311 | M129-R191 VanDerWaalsContact CB-NH2 3.27Å; M129-R191 PolarHBondContact SD-NE 2.88Å; M129-R191 VanDerWaalsContact SD-NE 3.36Å; M129-R191 PolarHBondContact SD-NH2 3.32Å; M187-R191 HydrophobicContact CG-CG 4.47Å; M187-R191 WeakPolarHBondContact O-CB 3.27Å; M187-R191 WeakPolarHBondContact O-CG 3.48Å; M187-R191 PolarHBondContact O-N 2.94Å; M187-R191 VanDerWaalsContact O-N 3.11Å; C188-R191 PolarHBondContact O-N 2.78Å; T189-R191 PolarHBondContact O-N 2.91Å; R191-L193 VanDerWaalsContact C-N 3.34Å; R191-A194 PolarHBondContact O-N 3.25Å; R191-V195 WeakPolarHBondContact O-CG2 3.5Å; R191-V195 PolarHBondContact O-N 2.87Å; R191-I311 HydrophobicContact CB-CD1 3.5Å; R191-I311 VanDerWaalsContact CB-CD1 3.5Å; R191-I311 HydrophobicContact CG-CD1 3.48Å; R191-I311 VanDerWaalsContact CG-CD1 3.48Å |
| 192 | Y | 76.9 | Confident | 76.6 | Confident | 42 Ų | 42 | 44 Ų | 44 | 17% | 0.165 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.3 | -48.4 | 167.7 | 170.6 | -96.7 | 0 | 0 | 0 | 111.3 | C188 T189 A194 V195 T196 L278 K281 L282 | C188-Y192 PolarHBondContact O-N 3.04Å; T189-Y192 PolarHBondContact O-N 3.34Å; Y192-A194 PolarHBondContact O-N 3.03Å; Y192-V195 PolarHBondContact O-N 2.89Å; Y192-T196 HydrophobicContact CD2-CG2 4.14Å; Y192-T196 HydrophobicContact CE1-CG2 4.28Å; Y192-T196 HydrophobicContact CE2-CG2 3.67Å; Y192-T196 PolarHBondContact O-N 3.3Å; Y192-T196 PolarHBondContact O-OG1 2.92Å; Y192-L278 HydrophobicContact CD1-CD2 3.5Å; Y192-L278 HydrophobicContact CD2-CB 4.28Å; Y192-L278 HydrophobicContact CD2-CD2 4.1Å; Y192-L278 WeakPolarHBondContact CD2-O 3.43Å; Y192-L278 HydrophobicContact CE1-CD2 3.93Å; Y192-L278 HydrophobicContact CE2-CD2 4.47Å; Y192-L278 HydrophobicContact CG-CB 4.35Å; Y192-L278 HydrophobicContact CG-CD2 3.59Å; Y192-L278 HydrophobicContact CG-CG 4.5Å; Y192-K281 HydrophobicContact CE2-CB 3.89Å; Y192-L282 HydrophobicContact CD2-CB 4.11Å; Y192-L282 HydrophobicContact CE2-CB 4.24Å |
| 193 | L | 77.7 | Confident | 75 | Confident | 32 Ų | 32 | 53.4 Ų | 53.4 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 179.8 | -68.3 | 170.9 | 0 | 0 | 0 | 112 | T189 R191 V195 T196 K197 T201 R204 | T189-L193 HydrophobicContact CG2-CD1 4.11Å; T189-L193 WeakPolarHBondContact O-CB 3.26Å; T189-L193 VanDerWaalsContact O-CG 3.29Å; T189-L193 WeakPolarHBondContact O-CG 3.45Å; T189-L193 PolarHBondContact O-N 2.91Å; R191-L193 VanDerWaalsContact C-N 3.34Å; L193-V195 PolarHBondContact O-N 3.16Å; L193-T196 PolarHBondContact O-N 3.05Å; L193-K197 CarbonylContact O-C 3.6Å; L193-K197 VanDerWaalsContact O-C 3.28Å; L193-K197 WeakPolarHBondContact O-CA 3.24Å; L193-K197 PolarHBondContact O-N 3.47Å; L193-T201 VanDerWaalsContact C-CG2 3.42Å; L193-T201 HydrophobicContact CB-CG2 3.66Å; L193-R204 VanDerWaalsContact CD1-NH1 3.3Å |
| 194 | A | 75.3 | Confident | 74.2 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.6 | -17.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E190 R191 Y192 T201 | E190-A194 WeakPolarHBondContact O-CB 3.47Å; E190-A194 PolarHBondContact O-N 3.34Å; R191-A194 PolarHBondContact O-N 3.25Å; Y192-A194 PolarHBondContact O-N 3.03Å; A194-T201 HydrophobicContact CB-CG2 4.28Å |
| 195 | V | 71.4 | Confident | 73.8 | Confident | 41 Ų | 41 | 59.1 Ų | 59.1 | 25% | 0.248 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -91 | -44.8 | 175.3 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | R191 Y192 L193 L282 K304 L308 | R191-V195 WeakPolarHBondContact O-CG2 3.5Å; R191-V195 PolarHBondContact O-N 2.87Å; Y192-V195 PolarHBondContact O-N 2.89Å; L193-V195 PolarHBondContact O-N 3.16Å; V195-L282 HydrophobicContact CB-CD1 4.4Å; V195-L282 HydrophobicContact CG1-CD1 3.83Å; V195-K304 HydrophobicContact CG2-CB 4.25Å; V195-K304 HydrophobicContact CG2-CD 4.33Å; V195-K304 HydrophobicContact CG2-CG 4.49Å; V195-L308 HydrophobicContact CG1-CD1 4.38Å; V195-L308 HydrophobicContact CG2-CD1 4.11Å; V195-L308 HydrophobicContact CG2-CD2 4.31Å; V195-L308 HydrophobicContact CG2-CG 4.42Å |
| 196 | T | 69.8 | Low | 73.4 | Confident | 45 Ų | 45 | 65.3 Ų | 65.3 | 28% | 0.276 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -85.4 | -36.3 | -175.1 | 53.1 | 0 | 0 | 0 | 0 | 114.2 | Y192 L193 | Y192-T196 HydrophobicContact CD2-CG2 4.14Å; Y192-T196 HydrophobicContact CE1-CG2 4.28Å; Y192-T196 HydrophobicContact CE2-CG2 3.67Å; Y192-T196 PolarHBondContact O-N 3.3Å; Y192-T196 PolarHBondContact O-OG1 2.92Å; L193-T196 PolarHBondContact O-N 3.05Å |
| 197 | K | 70.4 | Confident | 73.1 | Confident | 115 Ų | 115 | 67.9 Ų | 67.9 | 50% | 0.5 | 35% | 0.351 | S | S | . | . | trans | -129.5 | 68.9 | -178 | -61.1 | -157.9 | -179.7 | -168.7 | 0 | 111.2 | L193 L199 D200 T201 | L193-K197 CarbonylContact O-C 3.6Å; L193-K197 VanDerWaalsContact O-C 3.28Å; L193-K197 WeakPolarHBondContact O-CA 3.24Å; L193-K197 PolarHBondContact O-N 3.47Å; K197-L199 VanDerWaalsContact C-N 3.3Å; K197-L199 PolarHBondContact O-N 2.9Å; K197-D200 HydrophobicContact CB-CB 4.17Å; K197-D200 WeakPolarHBondContact CD-OD2 3.34Å; K197-D200 IonicContact NZ-OD2 3.86Å; K197-D200 PolarHBondContact O-N 3.38Å; K197-T201 PolarHBondContact O-N 3.39Å | ||
| 198 | P | 67.9 | Low | 73.3 | Confident | 65 Ų | 65 | 72 Ų | 72 | 42% | 0.422 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.4 | -39 | -173.2 | 23.3 | -33.7 | 0 | 0 | 0 | 112.9 | T201 V202 | P198-T201 PolarHBondContact O-N 2.95Å; P198-T201 PolarHBondContact O-OG1 3.1Å; P198-V202 WeakPolarHBondContact O-CG2 3.25Å; P198-V202 PolarHBondContact O-N 3.09Å |
| 199 | L | 61 | Low | 73.5 | Confident | 128 Ų | 128 | 72.8 Ų | 72.8 | 67% | 0.67 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.5 | -58 | 179.6 | -62.9 | 175.7 | 0 | 0 | 0 | 111.2 | K197 T201 V202 W203 | K197-L199 VanDerWaalsContact C-N 3.3Å; K197-L199 PolarHBondContact O-N 2.9Å; L199-T201 PolarHBondContact O-N 3.47Å; L199-T201 VanDerWaalsContact O-N 3.08Å; L199-V202 WeakPolarHBondContact O-CB 3.21Å; L199-V202 PolarHBondContact O-N 3.03Å; L199-W203 PolarHBondContact O-N 2.91Å |
| 200 | D | 63.6 | Low | 73.6 | Confident | 89 Ų | 89 | 76.8 Ų | 76.8 | 48% | 0.476 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -50.8 | -37.7 | 178.5 | -60.1 | 4.8 | 0 | 0 | 0 | 112.9 | K197 V202 W203 R204 | K197-D200 HydrophobicContact CB-CB 4.17Å; K197-D200 WeakPolarHBondContact CD-OD2 3.34Å; K197-D200 IonicContact NZ-OD2 3.86Å; K197-D200 PolarHBondContact O-N 3.38Å; D200-V202 VanDerWaalsContact C-N 3.35Å; D200-V202 PolarHBondContact O-N 3.04Å; D200-W203 PolarHBondContact O-N 2.9Å; D200-R204 PolarHBondContact O-N 3.4Å |
| 201 | T | 62.4 | Low | 74.1 | Confident | 19 Ų | 19 | 79 Ų | 79 | 12% | 0.117 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -73.1 | -22.1 | 179.5 | 61.1 | 0 | 0 | 0 | 0 | 115.1 | L193 A194 K197 P198 L199 | L193-T201 VanDerWaalsContact C-CG2 3.42Å; L193-T201 HydrophobicContact CB-CG2 3.66Å; A194-T201 HydrophobicContact CB-CG2 4.28Å; K197-T201 PolarHBondContact O-N 3.39Å; P198-T201 PolarHBondContact O-N 2.95Å; P198-T201 PolarHBondContact O-OG1 3.1Å; L199-T201 PolarHBondContact O-N 3.47Å; L199-T201 VanDerWaalsContact O-N 3.08Å |
| 202 | V | 61.9 | Low | 74.7 | Confident | 121 Ų | 121 | 79.2 Ų | 79.2 | 73% | 0.733 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -74.1 | -37.5 | 172.1 | 173 | 0 | 0 | 0 | 0 | 110.5 | P198 L199 D200 R204 | P198-V202 WeakPolarHBondContact O-CG2 3.25Å; P198-V202 PolarHBondContact O-N 3.09Å; L199-V202 WeakPolarHBondContact O-CB 3.21Å; L199-V202 PolarHBondContact O-N 3.03Å; D200-V202 VanDerWaalsContact C-N 3.35Å; D200-V202 PolarHBondContact O-N 3.04Å; V202-R204 VanDerWaalsContact C-N 3.3Å; V202-R204 PolarHBondContact O-N 3.43Å |
| 203 | W | 59.1 | Low | 75.3 | Confident | 218 Ų | 218 | 78 Ų | 78 | 83% | 0.826 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -73.5 | -15 | 178.2 | -66.9 | 101.1 | 0 | 0 | 0 | 114.3 | L199 D200 S205 | L199-W203 PolarHBondContact O-N 2.91Å; D200-W203 PolarHBondContact O-N 2.9Å; W203-S205 PolarHBondContact O-N 3.31Å; W203-S205 VanDerWaalsContact O-N 3.16Å |
| 204 | R | 73.1 | Confident | 76 | Confident | 72 Ų | 72 | 85.7 Ų | 85.7 | 27% | 0.272 | 43% | 0.434 | S | S | . | . | trans | -65.7 | 114 | 177.5 | -81.8 | -177.8 | 172 | -165.3 | -4.9 | 112.2 | L193 D200 V202 Y208 R209 | L193-R204 VanDerWaalsContact CD1-NH1 3.3Å; D200-R204 PolarHBondContact O-N 3.4Å; V202-R204 VanDerWaalsContact C-N 3.3Å; V202-R204 PolarHBondContact O-N 3.43Å; R204-Y208 HydrophobicContact CB-CD1 4.35Å; R204-Y208 HydrophobicContact CG-CD1 4.21Å; R204-Y208 HydrophobicContact CG-CE1 4.42Å; R204-Y208 VanDerWaalsContact CZ-OH 3.3Å; R204-Y208 PolarHBondContact NH1-OH 2.92Å; R204-Y208 PolarHBondContact NH2-OH 2.94Å; R204-R209 PolarHBondContact O-NH2 3.38Å; R204-R209 VanDerWaalsContact O-NH2 3.14Å | ||
| 205 | S | 77.8 | Confident | 76.8 | Confident | 63 Ų | 63 | 86 Ų | 86 | 44% | 0.441 | 44% | 0.44 | S | S | . | . | trans | -65.1 | 159.1 | -178.6 | 76 | 0 | 0 | 0 | 0 | 113.6 | W203 S207 Y208 | W203-S205 PolarHBondContact O-N 3.31Å; W203-S205 VanDerWaalsContact O-N 3.16Å; S205-S207 PolarHBondContact O-N 2.89Å; S205-S207 PolarHBondContact OG-N 3.3Å; S205-Y208 PolarHBondContact O-N 2.79Å; S205-Y208 PolarHBondContact OG-N 3.41Å | ||
| 206 | K | 78.5 | Confident | 77.9 | Confident | 144 Ų | 144 | 84.6 Ų | 84.6 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.8 | -32.1 | 171.7 | -66.8 | 177.6 | -177.9 | 171.8 | 0 | 111.8 | R209 K210 | K206-R209 PolarHBondContact O-N 2.74Å; K206-K210 WeakPolarHBondContact O-CG 3.19Å; K206-K210 PolarHBondContact O-N 3.48Å; K206-K210 VanDerWaalsContact O-N 3.08Å |
| 207 | S | 83.4 | Confident | 79.1 | Confident | 85 Ų | 85 | 84.4 Ų | 84.4 | 59% | 0.594 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.8 | -40 | 178.1 | -50 | 0 | 0 | 0 | 0 | 111.9 | S205 R209 K210 A211 | S205-S207 PolarHBondContact O-N 2.89Å; S205-S207 PolarHBondContact OG-N 3.3Å; S207-R209 PolarHBondContact O-N 3.48Å; S207-K210 PolarHBondContact O-N 3.26Å; S207-A211 WeakPolarHBondContact O-CB 3.4Å; S207-A211 PolarHBondContact O-N 3.41Å |
| 208 | Y | 86 | Confident | 80.3 | Confident | 86 Ų | 86 | 84.2 Ų | 84.2 | 34% | 0.337 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 174.4 | 172.7 | -95 | 0 | 0 | 0 | 112.2 | R204 S205 K210 A211 L212 | R204-Y208 HydrophobicContact CB-CD1 4.35Å; R204-Y208 HydrophobicContact CG-CD1 4.21Å; R204-Y208 HydrophobicContact CG-CE1 4.42Å; R204-Y208 VanDerWaalsContact CZ-OH 3.3Å; R204-Y208 PolarHBondContact NH1-OH 2.92Å; R204-Y208 PolarHBondContact NH2-OH 2.94Å; S205-Y208 PolarHBondContact O-N 2.79Å; S205-Y208 PolarHBondContact OG-N 3.41Å; Y208-K210 PolarHBondContact O-N 2.95Å; Y208-A211 PolarHBondContact O-N 3.23Å; Y208-L212 HydrophobicContact CD1-CD1 4.13Å; Y208-L212 HydrophobicContact CD1-CG 4.47Å; Y208-L212 HydrophobicContact CE1-CD1 3.38Å; Y208-L212 HydrophobicContact CE1-CG 3.98Å; Y208-L212 HydrophobicContact CE2-CG 4.43Å; Y208-L212 PolarHBondContact O-N 2.86Å |
| 209 | R | 85 | Confident | 81.5 | Confident | 25 Ų | 25 | 85.1 Ų | 85.1 | 9% | 0.094 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -67.5 | -34 | 178.5 | -62.4 | -170.7 | -164.9 | 116.6 | 26.5 | 112.8 | S128 I131 E190 R204 K206 S207 A213 | S128-R209 WeakPolarHBondContact O-CD 3.28Å; S128-R209 PolarHBondContact O-NE 2.77Å; S128-R209 PolarHBondContact O-NH1 2.93Å; S128-R209 PolarHBondContact OG-NH1 3.25Å; S128-R209 PolarHBondContact OG-NH2 3.26Å; S128-R209 VanDerWaalsContact OG-NH2 3.15Å; I131-R209 HydrophobicContact CD1-CB 3.8Å; E190-R209 VanDerWaalsContact OE1-CD 3.24Å; E190-R209 WeakPolarHBondContact OE1-CD 3.4Å; E190-R209 WeakPolarHBondContact OE1-CG 3.44Å; E190-R209 IonicContact OE1-NE 2.59Å; E190-R209 PolarHBondContact OE1-NE 2.94Å; R204-R209 PolarHBondContact O-NH2 3.38Å; R204-R209 VanDerWaalsContact O-NH2 3.14Å; K206-R209 PolarHBondContact O-N 2.74Å; S207-R209 PolarHBondContact O-N 3.48Å; R209-A213 PolarHBondContact O-N 3.31Å; R209-A213 VanDerWaalsContact O-N 3.1Å |
| 210 | K | 86.6 | Confident | 83.1 | Confident | 128 Ų | 128 | 79 Ų | 79 | 56% | 0.557 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.9 | -43.3 | 170.4 | -72.7 | -178 | 176.5 | -171.5 | 0 | 111.7 | K206 S207 Y208 A213 W214 | K206-K210 WeakPolarHBondContact O-CG 3.19Å; K206-K210 PolarHBondContact O-N 3.48Å; K206-K210 VanDerWaalsContact O-N 3.08Å; S207-K210 PolarHBondContact O-N 3.26Å; Y208-K210 PolarHBondContact O-N 2.95Å; K210-A213 PolarHBondContact O-N 3.38Å; K210-W214 VanDerWaalsContact O-CD1 3.23Å; K210-W214 PolarHBondContact O-N 2.96Å |
| 211 | A | 89.8 | Confident | 84.5 | Confident | 63 Ų | 63 | 78.4 Ų | 78.4 | 52% | 0.521 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S207 Y208 W214 G215 | S207-A211 WeakPolarHBondContact O-CB 3.4Å; S207-A211 PolarHBondContact O-N 3.41Å; Y208-A211 PolarHBondContact O-N 3.23Å; A211-W214 PolarHBondContact O-N 2.94Å; A211-G215 PolarHBondContact O-N 2.98Å |
| 212 | L | 90.1 | Very high | 86 | Confident | 50 Ų | 50 | 81.4 Ų | 81.4 | 26% | 0.262 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 171.2 | -73.1 | -176.9 | 0 | 0 | 0 | 112.4 | V186 Y208 G215 V216 | V186-L212 HydrophobicContact CG1-CB 4.49Å; V186-L212 HydrophobicContact CG1-CD1 3.96Å; Y208-L212 HydrophobicContact CD1-CD1 4.13Å; Y208-L212 HydrophobicContact CD1-CG 4.47Å; Y208-L212 HydrophobicContact CE1-CD1 3.38Å; Y208-L212 HydrophobicContact CE1-CG 3.98Å; Y208-L212 HydrophobicContact CE2-CG 4.43Å; Y208-L212 PolarHBondContact O-N 2.86Å; L212-G215 PolarHBondContact O-N 3.4Å; L212-V216 WeakPolarHBondContact O-CG2 3.38Å; L212-V216 PolarHBondContact O-N 2.96Å |
| 213 | A | 89.8 | Confident | 87.3 | Confident | 17 Ų | 17 | 76.7 Ų | 76.7 | 14% | 0.14 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I131 R209 K210 G215 V216 W217 | I131-A213 HydrophobicContact CG2-CB 4.42Å; R209-A213 PolarHBondContact O-N 3.31Å; R209-A213 VanDerWaalsContact O-N 3.1Å; K210-A213 PolarHBondContact O-N 3.38Å; A213-G215 VanDerWaalsContact C-N 3.33Å; A213-G215 PolarHBondContact O-N 3.17Å; A213-V216 WeakPolarHBondContact O-CB 3.47Å; A213-V216 PolarHBondContact O-N 3.43Å; A213-W217 PolarHBondContact O-N 2.95Å |
| 214 | W | 92.3 | Very high | 88.7 | Confident | 193 Ų | 193 | 66.5 Ų | 66.5 | 73% | 0.731 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.2 | -40.4 | 174.4 | -78.3 | 118.5 | 0 | 0 | 0 | 112.9 | K210 A211 V216 W217 L218 | K210-W214 VanDerWaalsContact O-CD1 3.23Å; K210-W214 PolarHBondContact O-N 2.96Å; A211-W214 PolarHBondContact O-N 2.94Å; W214-V216 VanDerWaalsContact C-N 3.34Å; W214-V216 PolarHBondContact O-N 3.43Å; W214-W217 PolarHBondContact O-N 3.49Å; W214-L218 VanDerWaalsContact O-CB 3.31Å; W214-L218 WeakPolarHBondContact O-CB 3.36Å; W214-L218 PolarHBondContact O-N 3.2Å |
| 215 | G | 93.9 | Very high | 89.4 | Confident | 39 Ų | 39 | 67.7 Ų | 67.7 | 40% | 0.402 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A211 L212 A213 L219 | A211-G215 PolarHBondContact O-N 2.98Å; L212-G215 PolarHBondContact O-N 3.4Å; A213-G215 VanDerWaalsContact C-N 3.33Å; A213-G215 PolarHBondContact O-N 3.17Å; G215-L219 VanDerWaalsContact O-CB 3.24Å; G215-L219 WeakPolarHBondContact O-CB 3.28Å; G215-L219 PolarHBondContact O-N 3.21Å |
| 216 | V | 94.1 | Very high | 89.7 | Confident | 11 Ų | 11 | 66.9 Ų | 66.9 | 7% | 0.067 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.5 | -54.1 | 171.9 | 163.2 | 0 | 0 | 0 | 0 | 110.8 | A179 F182 V186 L212 A213 W214 L218 L219 S220 | A179-V216 HydrophobicContact CB-CG1 4.44Å; F182-V216 HydrophobicContact CB-CB 4.32Å; F182-V216 HydrophobicContact CB-CG1 3.8Å; F182-V216 HydrophobicContact CB-CG2 3.85Å; V186-V216 HydrophobicContact CG2-CG2 3.89Å; L212-V216 WeakPolarHBondContact O-CG2 3.38Å; L212-V216 PolarHBondContact O-N 2.96Å; A213-V216 WeakPolarHBondContact O-CB 3.47Å; A213-V216 PolarHBondContact O-N 3.43Å; W214-V216 VanDerWaalsContact C-N 3.34Å; W214-V216 PolarHBondContact O-N 3.43Å; V216-L218 VanDerWaalsContact C-N 3.32Å; V216-L218 PolarHBondContact O-N 3.13Å; V216-L219 PolarHBondContact O-N 3.35Å; V216-S220 WeakPolarHBondContact O-CB 3.3Å; V216-S220 PolarHBondContact O-N 3.3Å; V216-S220 PolarHBondContact O-OG 2.92Å; V216-S220 VanDerWaalsContact O-OG 3.07Å |
| 217 | W | 94.7 | Very high | 89.7 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 16% | 0.159 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 179.9 | -73.6 | 106.3 | 0 | 0 | 0 | 112.3 | N135 A139 L142 L175 A179 A213 W214 S220 L221 | N135-W217 PolarHBondContact OD1-NE1 2.92Å; A139-W217 HydrophobicContact CB-CH2 3.98Å; A139-W217 HydrophobicContact CB-CZ2 4.28Å; L142-W217 HydrophobicContact CD1-CH2 4.05Å; L175-W217 HydrophobicContact CD1-CE3 4.47Å; A179-W217 HydrophobicContact CB-CD2 4.45Å; A179-W217 HydrophobicContact CB-CE3 4.08Å; A179-W217 HydrophobicContact CB-CH2 4.2Å; A179-W217 HydrophobicContact CB-CZ3 3.95Å; A213-W217 PolarHBondContact O-N 2.95Å; W214-W217 PolarHBondContact O-N 3.49Å; W217-S220 PolarHBondContact O-N 2.93Å; W217-L221 WeakPolarHBondContact O-CB 3.18Å; W217-L221 VanDerWaalsContact O-CG 3.3Å; W217-L221 WeakPolarHBondContact O-CG 3.06Å; W217-L221 PolarHBondContact O-N 3.45Å |
| 218 | L | 95.3 | Very high | 89.6 | Confident | 110 Ų | 110 | 58.4 Ų | 58.4 | 58% | 0.576 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.8 | -43.3 | 177.7 | -176.9 | 62.5 | 0 | 0 | 0 | 112.2 | W214 V216 L221 V222 | W214-L218 VanDerWaalsContact O-CB 3.31Å; W214-L218 WeakPolarHBondContact O-CB 3.36Å; W214-L218 PolarHBondContact O-N 3.2Å; V216-L218 VanDerWaalsContact C-N 3.32Å; V216-L218 PolarHBondContact O-N 3.13Å; L218-L221 PolarHBondContact O-N 3.34Å; L218-V222 WeakPolarHBondContact O-CG2 3.3Å; L218-V222 PolarHBondContact O-N 2.9Å |
| 219 | L | 94.2 | Very high | 89.5 | Confident | 85 Ų | 85 | 59 Ų | 59 | 45% | 0.445 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 176.9 | -180 | 61.5 | 0 | 0 | 0 | 111.4 | F182 G215 V216 V222 L223 | F182-L219 HydrophobicContact CD2-CB 4.48Å; F182-L219 HydrophobicContact CD2-CD2 3.94Å; F182-L219 HydrophobicContact CD2-CG 4.18Å; F182-L219 HydrophobicContact CE1-CD2 4.48Å; F182-L219 HydrophobicContact CE2-CB 4.38Å; F182-L219 HydrophobicContact CE2-CD2 3.74Å; F182-L219 HydrophobicContact CE2-CG 3.73Å; F182-L219 HydrophobicContact CG-CD2 4.42Å; F182-L219 HydrophobicContact CZ-CD2 4.04Å; F182-L219 HydrophobicContact CZ-CG 4.29Å; G215-L219 VanDerWaalsContact O-CB 3.24Å; G215-L219 WeakPolarHBondContact O-CB 3.28Å; G215-L219 PolarHBondContact O-N 3.21Å; V216-L219 PolarHBondContact O-N 3.35Å; L219-V222 PolarHBondContact O-N 3.23Å; L219-L223 WeakPolarHBondContact O-CG 3.39Å; L219-L223 PolarHBondContact O-N 2.96Å |
| 220 | S | 94.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.5 | -44 | 174.6 | -60 | 0 | 0 | 0 | 0 | 111.6 | H178 A179 F182 V216 W217 L223 T224 | H178-S220 WeakPolarHBondContact CB-OG 3.2Å; A179-S220 VanDerWaalsContact CA-OG 3.31Å; A179-S220 WeakPolarHBondContact CA-OG 3.31Å; A179-S220 PolarHBondContact N-OG 3.06Å; F182-S220 WeakPolarHBondContact CD2-OG 3.49Å; V216-S220 WeakPolarHBondContact O-CB 3.3Å; V216-S220 PolarHBondContact O-N 3.3Å; V216-S220 PolarHBondContact O-OG 2.92Å; V216-S220 VanDerWaalsContact O-OG 3.07Å; W217-S220 PolarHBondContact O-N 2.93Å; S220-L223 PolarHBondContact O-N 2.9Å; S220-T224 WeakPolarHBondContact O-CG2 3.29Å; S220-T224 PolarHBondContact O-N 3.25Å; S220-T224 PolarHBondContact O-OG1 3.04Å |
| 221 | L | 92.7 | Very high | 88.5 | Confident | 76 Ų | 76 | 54.8 Ų | 54.8 | 40% | 0.398 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.7 | -52.5 | 174 | -78.4 | 167.3 | 0 | 0 | 0 | 111.2 | L175 W217 L218 L223 T224 L225 | L175-L221 HydrophobicContact CD1-CB 4.41Å; L175-L221 HydrophobicContact CD1-CD2 3.79Å; L175-L221 HydrophobicContact CD1-CG 3.75Å; L175-L221 HydrophobicContact CD2-CD2 3.81Å; L175-L221 HydrophobicContact CG-CD2 4.45Å; W217-L221 WeakPolarHBondContact O-CB 3.18Å; W217-L221 VanDerWaalsContact O-CG 3.3Å; W217-L221 WeakPolarHBondContact O-CG 3.06Å; W217-L221 PolarHBondContact O-N 3.45Å; L218-L221 PolarHBondContact O-N 3.34Å; L221-L223 VanDerWaalsContact C-N 3.26Å; L221-L223 PolarHBondContact O-N 3.37Å; L221-T224 WeakPolarHBondContact CA-OG1 3.3Å; L221-T224 PolarHBondContact O-N 3.17Å; L221-T224 PolarHBondContact O-OG1 3.48Å; L221-L225 WeakPolarHBondContact O-CG 3.42Å; L221-L225 PolarHBondContact O-N 3.45Å |
| 222 | V | 93.9 | Very high | 87.6 | Confident | 82 Ų | 82 | 53.3 Ų | 53.3 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -55.1 | -40.3 | 179.2 | 168.2 | 0 | 0 | 0 | 0 | 112.2 | L218 L219 | L218-V222 WeakPolarHBondContact O-CG2 3.3Å; L218-V222 PolarHBondContact O-N 2.9Å; L219-V222 PolarHBondContact O-N 3.23Å |
| 223 | L | 89.3 | Confident | 86.7 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 12% | 0.115 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.9 | -32.2 | 175.7 | -69.2 | 177.8 | 0 | 0 | 0 | 113.1 | F182 L219 S220 L221 Y259 L263 T266 | F182-L223 HydrophobicContact CE2-CD1 3.8Å; F182-L223 HydrophobicContact CZ-CD1 3.57Å; L219-L223 WeakPolarHBondContact O-CG 3.39Å; L219-L223 PolarHBondContact O-N 2.96Å; S220-L223 PolarHBondContact O-N 2.9Å; L221-L223 VanDerWaalsContact C-N 3.26Å; L221-L223 PolarHBondContact O-N 3.37Å; L223-Y259 PolarHBondContact O-OH 3.2Å; L223-L263 HydrophobicContact CB-CD2 4.06Å; L223-L263 HydrophobicContact CD2-CD2 4.33Å; L223-T266 HydrophobicContact CD2-CG2 4.31Å |
| 224 | T | 87.6 | Confident | 85.6 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -81.3 | -28.7 | 178.3 | 55.3 | 0 | 0 | 0 | 0 | 115.8 | L174 L175 S220 L221 P226 M227 T228 | L174-T224 HydrophobicContact CB-CG2 3.58Å; L175-T224 HydrophobicContact CB-CG2 3.89Å; L175-T224 VanDerWaalsContact N-CG2 3.32Å; S220-T224 WeakPolarHBondContact O-CG2 3.29Å; S220-T224 PolarHBondContact O-N 3.25Å; S220-T224 PolarHBondContact O-OG1 3.04Å; L221-T224 WeakPolarHBondContact CA-OG1 3.3Å; L221-T224 PolarHBondContact O-N 3.17Å; L221-T224 PolarHBondContact O-OG1 3.48Å; T224-P226 VanDerWaalsContact C-CD 3.4Å; T224-P226 VanDerWaalsContact C-N 3.32Å; T224-P226 VanDerWaalsContact O-N 3.16Å; T224-M227 WeakPolarHBondContact O-CA 3.42Å; T224-M227 WeakPolarHBondContact O-CB 3.4Å; T224-M227 PolarHBondContact O-N 3.24Å; T224-T228 PolarHBondContact O-N 2.97Å; T224-T228 VanDerWaalsContact O-N 3.16Å; T224-T228 PolarHBondContact O-OG1 2.82Å |
| 225 | L | 87.8 | Confident | 84.4 | Confident | 96 Ų | 96 | 49.7 Ų | 49.7 | 50% | 0.503 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -49.8 | -42.4 | -174.2 | -77.5 | 174.7 | 0 | 0 | 0 | 114.2 | L221 M227 T228 V229 | L221-L225 WeakPolarHBondContact O-CG 3.42Å; L221-L225 PolarHBondContact O-N 3.45Å; L225-M227 VanDerWaalsContact C-N 3.29Å; L225-M227 PolarHBondContact O-N 3.25Å; L225-T228 WeakPolarHBondContact O-CB 3.49Å; L225-T228 PolarHBondContact O-N 2.84Å; L225-V229 WeakPolarHBondContact O-CG2 3.46Å; L225-V229 PolarHBondContact O-N 3.15Å; L225-V229 VanDerWaalsContact O-N 3.12Å |
| 226 | P | 85.4 | Confident | 82.8 | Confident | 46 Ų | 46 | 50.4 Ų | 50.4 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.9 | -34.1 | 177.4 | -23 | 35.1 | 0 | 0 | 0 | 113.2 | T224 M230 W251 Y259 | T224-P226 VanDerWaalsContact C-CD 3.4Å; T224-P226 VanDerWaalsContact C-N 3.32Å; T224-P226 VanDerWaalsContact O-N 3.16Å; P226-M230 VanDerWaalsContact O-CB 3.25Å; P226-M230 WeakPolarHBondContact O-CB 3.2Å; P226-M230 WeakPolarHBondContact O-CG 3.21Å; P226-M230 PolarHBondContact O-N 2.7Å; P226-W251 HydrophobicContact CB-CH2 3.79Å; P226-W251 HydrophobicContact CB-CZ2 3.68Å; P226-Y259 HydrophobicContact CB-CD2 4.14Å; P226-Y259 HydrophobicContact CB-CE2 3.73Å; P226-Y259 HydrophobicContact CG-CD2 4.47Å; P226-Y259 HydrophobicContact CG-CE2 3.94Å |
| 227 | M | 78.9 | Confident | 81 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.4 | -43.4 | 173.8 | -163.8 | 71.8 | 167.6 | 0 | 0 | 111.2 | L170 L174 T224 L225 V229 M230 V231 Y259 | L170-M227 HydrophobicContact CD2-CE 3.99Å; L174-M227 HydrophobicContact CD1-CB 3.93Å; L174-M227 HydrophobicContact CD1-CG 3.69Å; T224-M227 WeakPolarHBondContact O-CA 3.42Å; T224-M227 WeakPolarHBondContact O-CB 3.4Å; T224-M227 PolarHBondContact O-N 3.24Å; L225-M227 VanDerWaalsContact C-N 3.29Å; L225-M227 PolarHBondContact O-N 3.25Å; M227-V229 VanDerWaalsContact C-N 3.32Å; M227-V229 PolarHBondContact O-N 3.35Å; M227-M230 PolarHBondContact O-N 3.25Å; M227-V231 HydrophobicContact CE-CG2 3.66Å; M227-V231 HydrophobicContact CG-CG2 3.76Å; M227-V231 VanDerWaalsContact O-CB 3.3Å; M227-V231 WeakPolarHBondContact O-CB 3.33Å; M227-V231 VanDerWaalsContact O-CG2 3.28Å; M227-V231 WeakPolarHBondContact O-CG2 3.45Å; M227-V231 PolarHBondContact O-N 3.1Å; M227-V231 HydrophobicContact SD-CG2 3.76Å; M227-Y259 HydrophobicContact CB-CE1 4.38Å; M227-Y259 WeakPolarHBondContact CB-OH 3.4Å; M227-Y259 HydrophobicContact SD-CE1 4.19Å |
| 228 | T | 80.8 | Confident | 79.3 | Confident | 37 Ų | 37 | 54 Ų | 54 | 23% | 0.227 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.9 | -41.7 | -179.4 | -45.6 | 0 | 0 | 0 | 0 | 113 | R167 S171 T224 L225 | R167-T228 HydrophobicContact CB-CG2 4.35Å; R167-T228 WeakPolarHBondContact CG-O 3.39Å; R167-T228 PolarHBondContact NH1-O 3.35Å; R167-T228 VanDerWaalsContact NH1-O 3.11Å; S171-T228 WeakPolarHBondContact CB-OG1 3.46Å; S171-T228 WeakPolarHBondContact OG-CA 3.49Å; S171-T228 VanDerWaalsContact OG-CB 3.28Å; S171-T228 WeakPolarHBondContact OG-CB 3.39Å; S171-T228 WeakPolarHBondContact OG-CG2 3.5Å; S171-T228 PolarHBondContact OG-OG1 3.29Å; T224-T228 PolarHBondContact O-N 2.97Å; T224-T228 VanDerWaalsContact O-N 3.16Å; T224-T228 PolarHBondContact O-OG1 2.82Å; L225-T228 WeakPolarHBondContact O-CB 3.49Å; L225-T228 PolarHBondContact O-N 2.84Å |
| 229 | V | 83.8 | Confident | 77.4 | Confident | 99 Ų | 99 | 55.6 Ų | 55.6 | 60% | 0.6 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -75 | -40.2 | -178.3 | 175 | 0 | 0 | 0 | 0 | 111.6 | R167 L225 M227 | R167-V229 PolarHBondContact NH1-O 3.11Å; L225-V229 WeakPolarHBondContact O-CG2 3.46Å; L225-V229 PolarHBondContact O-N 3.15Å; L225-V229 VanDerWaalsContact O-N 3.12Å; M227-V229 VanDerWaalsContact C-N 3.32Å; M227-V229 PolarHBondContact O-N 3.35Å |
| 230 | M | 75.4 | Confident | 75.9 | Confident | 63 Ų | 63 | 57.8 Ų | 57.8 | 31% | 0.31 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -98.5 | -2.8 | -167.7 | -59.3 | -70.4 | -67.8 | 0 | 0 | 114.3 | P226 M227 P249 T250 W251 | P226-M230 VanDerWaalsContact O-CB 3.25Å; P226-M230 WeakPolarHBondContact O-CB 3.2Å; P226-M230 WeakPolarHBondContact O-CG 3.21Å; P226-M230 PolarHBondContact O-N 2.7Å; M227-M230 PolarHBondContact O-N 3.25Å; M230-P249 WeakPolarHBondContact O-CA 3.49Å; M230-T250 PolarHBondContact O-N 2.98Å; M230-T250 PolarHBondContact O-OG1 3.35Å; M230-W251 VanDerWaalsContact CB-CD1 3.45Å; M230-W251 HydrophobicContact CB-CD2 4.47Å; M230-W251 HydrophobicContact CB-CG 4.34Å; M230-W251 HydrophobicContact CB-CZ2 4.33Å; M230-W251 HydrophobicContact CE-CD2 4.38Å; M230-W251 HydrophobicContact CE-CG 4.22Å; M230-W251 HydrophobicContact CG-CZ2 4.1Å |
| 231 | V | 74.4 | Confident | 74.1 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 129.2 | 167.9 | 163.5 | 0 | 0 | 0 | 0 | 109.1 | C166 R167 L170 M227 C247 A248 | C166-V231 WeakPolarHBondContact SG-CG1 3.32Å; R167-V231 VanDerWaalsContact CZ-O 3.24Å; R167-V231 PolarHBondContact NH1-O 2.97Å; L170-V231 HydrophobicContact CD2-CG1 4.13Å; L170-V231 HydrophobicContact CD2-CG2 4.09Å; M227-V231 HydrophobicContact CE-CG2 3.66Å; M227-V231 HydrophobicContact CG-CG2 3.76Å; M227-V231 VanDerWaalsContact O-CB 3.3Å; M227-V231 WeakPolarHBondContact O-CB 3.33Å; M227-V231 VanDerWaalsContact O-CG2 3.28Å; M227-V231 WeakPolarHBondContact O-CG2 3.45Å; M227-V231 PolarHBondContact O-N 3.1Å; M227-V231 HydrophobicContact SD-CG2 3.76Å; V231-C247 HydrophobicContact CG1-CB 4.09Å; V231-A248 WeakPolarHBondContact CA-O 3.19Å |
| 232 | T | 71.1 | Confident | 72.6 | Confident | 32 Ų | 32 | 59.4 Ų | 59.4 | 20% | 0.196 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 158.3 | 173.4 | 72.7 | 0 | 0 | 0 | 0 | 111.4 | D163 C247 A248 T250 | D163-T232 WeakPolarHBondContact OD1-CA 3.48Å; T232-C247 CarbonylContact O-C 3.54Å; T232-C247 VanDerWaalsContact O-CA 3.23Å; T232-C247 WeakPolarHBondContact O-CA 3.48Å; T232-A248 PolarHBondContact N-O 3.45Å; T232-A248 PolarHBondContact O-N 2.84Å; T232-T250 HydrophobicContact CG2-CG2 3.77Å; T232-T250 WeakPolarHBondContact OG1-CG2 3.36Å |
| 233 | E | 72.3 | Confident | 71.3 | Confident | 48 Ų | 48 | 59.7 Ų | 59.7 | 22% | 0.224 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 141.6 | 161.9 | -172.4 | 174 | -167.3 | 0 | 0 | 110.1 | G162 D163 R245 | G162-E233 WeakPolarHBondContact CA-OE2 3.07Å; D163-E233 HydrophobicContact CB-CB 4.05Å; D163-E233 PolarHBondContact N-OE2 3.33Å; D163-E233 PolarHBondContact OD1-N 2.88Å; E233-R245 WeakPolarHBondContact OE1-CD 3.39Å |
| 234 | T | 65.7 | Low | 70.2 | Confident | 42 Ų | 42 | 61.9 Ų | 61.9 | 26% | 0.258 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 147.2 | 178.5 | 60 | 0 | 0 | 0 | 0 | 109.5 | M246 A248 | T234-M246 WeakPolarHBondContact CA-O 3.4Å; T234-M246 PolarHBondContact N-O 3.4Å; T234-M246 PolarHBondContact O-N 3.41Å; T234-M246 VanDerWaalsContact OG1-CG 3.3Å; T234-M246 WeakPolarHBondContact OG1-CG 3.37Å; T234-M246 PolarHBondContact OG1-O 2.86Å; T234-A248 HydrophobicContact CG2-CB 3.83Å |
| 235 | T | 66.9 | Low | 69.1 | Low | 95 Ų | 95 | 67.1 Ų | 67.1 | 58% | 0.583 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 132.2 | -179.5 | 52.4 | 0 | 0 | 0 | 0 | 110.2 | V243 R245 | T235-V243 HydrophobicContact CG2-CG1 4.01Å; T235-R245 HydrophobicContact CG2-CG 4.35Å |
| 236 | K | 61.1 | Low | 68.1 | Low | 53 Ų | 53 | 63.1 Ų | 63.1 | 23% | 0.23 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 142.1 | 167.9 | -64.1 | -171.8 | -175.4 | 173 | 0 | 110.7 | Q52 D56 A238 K244 M246 | Q52-K236 HydrophobicContact CG-CD 4.46Å; D56-K236 IonicContact OD1-NZ 2.73Å; D56-K236 PolarHBondContact OD1-NZ 3.44Å; D56-K236 WeakPolarHBondContact OD2-CE 3.44Å; D56-K236 IonicContact OD2-NZ 2.71Å; D56-K236 PolarHBondContact OD2-NZ 3.26Å; K236-A238 PolarHBondContact O-N 2.6Å; K236-K244 PolarHBondContact N-O 2.98Å; K236-K244 PolarHBondContact O-N 3.44Å; K236-M246 HydrophobicContact CB-CE 3.69Å; K236-M246 HydrophobicContact CD-CE 3.66Å; K236-M246 HydrophobicContact CD-SD 3.87Å; K236-M246 HydrophobicContact CG-CE 3.64Å; K236-M246 HydrophobicContact CG-SD 4.18Å |
| 237 | S | 55.7 | Low | 67.2 | Low | 100 Ų | 100 | 60.9 Ų | 60.9 | 70% | 0.699 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 124.4 | 166.9 | -49 | 0 | 0 | 0 | 0 | 109.3 | ||
| 238 | A | 59.7 | Low | 66.5 | Low | 28 Ų | 28 | 60.9 Ų | 60.9 | 23% | 0.231 | 37% | 0.365 | C | S | . | . | trans | -77.5 | 163.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | K236 D240 G241 A242 | K236-A238 PolarHBondContact O-N 2.6Å; A238-D240 WeakPolarHBondContact CB-OD1 3.38Å; A238-D240 PolarHBondContact O-N 3.1Å; A238-D240 VanDerWaalsContact O-N 3.09Å; A238-G241 PolarHBondContact O-N 3.45Å; A238-A242 HydrophobicContact CB-CB 4.47Å; A238-A242 WeakPolarHBondContact CB-O 3.48Å; A238-A242 PolarHBondContact N-O 3.47Å | ||
| 239 | P | 53.8 | Low | 65.9 | Low | 145 Ų | 145 | 59.3 Ų | 59.3 | 94% | 0.942 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -15.4 | -174 | -23.3 | 35.1 | 0 | 0 | 0 | 115.2 | ||
| 240 | D | 63.1 | Low | 65.1 | Low | 130 Ų | 130 | 58.4 Ų | 58.4 | 70% | 0.695 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 0.8 | 175 | 57.1 | 2 | 0 | 0 | 0 | 113.3 | A238 A242 | A238-D240 WeakPolarHBondContact CB-OD1 3.38Å; A238-D240 PolarHBondContact O-N 3.1Å; A238-D240 VanDerWaalsContact O-N 3.09Å; D240-A242 VanDerWaalsContact C-N 3.34Å; D240-A242 VanDerWaalsContact OD1-CB 3.29Å; D240-A242 WeakPolarHBondContact OD1-CB 3.37Å; D240-A242 PolarHBondContact OD1-N 2.95Å |
| 241 | G | 56.1 | Low | 64.8 | Low | 60 Ų | 60 | 57.4 Ų | 57.4 | 62% | 0.619 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 85.1 | -1.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A238 | A238-G241 PolarHBondContact O-N 3.45Š|
| 242 | A | 60.9 | Low | 64.7 | Low | 50 Ų | 50 | 60.5 Ų | 60.5 | 41% | 0.413 | 37% | 0.368 | S | S | . | . | trans | -73.2 | 136.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A238 D240 K244 | A238-A242 HydrophobicContact CB-CB 4.47Å; A238-A242 WeakPolarHBondContact CB-O 3.48Å; A238-A242 PolarHBondContact N-O 3.47Å; D240-A242 VanDerWaalsContact C-N 3.34Å; D240-A242 VanDerWaalsContact OD1-CB 3.29Å; D240-A242 WeakPolarHBondContact OD1-CB 3.37Å; D240-A242 PolarHBondContact OD1-N 2.95Å; A242-K244 PolarHBondContact O-N 3.46Å | ||
| 243 | V | 68.4 | Low | 64.6 | Low | 89 Ų | 89 | 63.5 Ų | 63.5 | 54% | 0.539 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 104 | 175.5 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | T235 | T235-V243 HydrophobicContact CG2-CG1 4.01Å |
| 244 | K | 64.9 | Low | 64.6 | Low | 67 Ų | 67 | 71.5 Ų | 71.5 | 29% | 0.291 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 133.4 | 176.7 | 175 | 166 | 172.8 | 154.7 | 0 | 111.1 | K157 K236 A242 M246 | K157-K244 WeakPolarHBondContact O-CD 3.44Å; K157-K244 WeakPolarHBondContact O-CE 3.41Å; K157-K244 PolarHBondContact O-NZ 3.39Å; K236-K244 PolarHBondContact N-O 2.98Å; K236-K244 PolarHBondContact O-N 3.44Å; A242-K244 PolarHBondContact O-N 3.46Å; K244-M246 HydrophobicContact CG-CE 4.41Å |
| 245 | R | 65.9 | Low | 65.2 | Low | 114 Ų | 114 | 71.3 Ų | 71.3 | 43% | 0.43 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 140.4 | 178.9 | -51.2 | -170.2 | -153.4 | -179.4 | 3.1 | 110.4 | D158 W159 E233 T235 | D158-R245 PolarHBondContact OD1-N 2.85Å; W159-R245 HydrophobicContact CB-CB 3.8Å; W159-R245 WeakPolarHBondContact CB-O 3.42Å; E233-R245 WeakPolarHBondContact OE1-CD 3.39Å; T235-R245 HydrophobicContact CG2-CG 4.35Å |
| 246 | M | 65.3 | Low | 65.7 | Low | 12 Ų | 12 | 67.6 Ų | 67.6 | 6% | 0.059 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 144.9 | 176.4 | 65.7 | -163.7 | 76.2 | 0 | 0 | 109.8 | Q52 T234 K236 K244 | Q52-M246 HydrophobicContact CG-SD 4.29Å; T234-M246 WeakPolarHBondContact CA-O 3.4Å; T234-M246 PolarHBondContact N-O 3.4Å; T234-M246 PolarHBondContact O-N 3.41Å; T234-M246 VanDerWaalsContact OG1-CG 3.3Å; T234-M246 WeakPolarHBondContact OG1-CG 3.37Å; T234-M246 PolarHBondContact OG1-O 2.86Å; K236-M246 HydrophobicContact CB-CE 3.69Å; K236-M246 HydrophobicContact CD-CE 3.66Å; K236-M246 HydrophobicContact CD-SD 3.87Å; K236-M246 HydrophobicContact CG-CE 3.64Å; K236-M246 HydrophobicContact CG-SD 4.18Å; K244-M246 HydrophobicContact CG-CE 4.41Å |
| 247 | C | 68 | Low | 66.4 | Low | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 163.3 | 162.5 | -63.5 | 0 | 0 | 0 | 0 | 110.3 | T45 I49 W159 C166 L170 V231 T232 | T45-C247 HydrophobicContact CG2-CB 4.11Å; I49-C247 HydrophobicContact CD1-CB 3.38Å; I49-C247 WeakPolarHBondContact CD1-O 3.45Å; I49-C247 WeakPolarHBondContact CG1-O 3.37Å; W159-C247 WeakPolarHBondContact CH2-SG 3.32Å; W159-C247 WeakPolarHBondContact CZ3-SG 3.46Å; C166-C247 WeakPolarHBondContact CA-SG 3.4Å; C166-C247 HydrophobicContact CB-CB 4.35Å; C166-C247 WeakPolarHBondContact CB-SG 3.48Å; C166-C247 VanDerWaalsContact SG-CA 3.53Å; C166-C247 WeakPolarHBondContact SG-CB 3.37Å; C166-C247 CovalentContact SG-SG 2Å; C166-C247 PolarHBondContact SG-SG 2.73Å; L170-C247 HydrophobicContact CD1-CB 4.25Å; V231-C247 HydrophobicContact CG1-CB 4.09Å; T232-C247 CarbonylContact O-C 3.54Å; T232-C247 VanDerWaalsContact O-CA 3.23Å; T232-C247 WeakPolarHBondContact O-CA 3.48Å |
| 248 | A | 63.9 | Low | 67.8 | Low | 14 Ų | 14 | 68.5 Ų | 68.5 | 12% | 0.116 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 144.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V231 T232 T234 T250 | V231-A248 WeakPolarHBondContact CA-O 3.19Å; T232-A248 PolarHBondContact N-O 3.45Å; T232-A248 PolarHBondContact O-N 2.84Å; T234-A248 HydrophobicContact CG2-CB 3.83Å; A248-T250 PolarHBondContact O-N 3.39Å |
| 249 | P | 67 | Low | 69 | Low | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.032 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 119.6 | 165.3 | 28.4 | -31.2 | 0 | 0 | 0 | 109.4 | I49 Q53 M230 W251 Y256 | I49-P249 VanDerWaalsContact CG2-CD 3.43Å; I49-P249 HydrophobicContact CG2-CG 4.42Å; Q53-P249 PolarHBondContact NE2-O 3.2Å; M230-P249 WeakPolarHBondContact O-CA 3.49Å; P249-W251 HydrophobicContact CB-CG 4.4Å; P249-W251 PolarHBondContact O-N 3.37Å; P249-W251 VanDerWaalsContact O-N 3.1Å; P249-Y256 HydrophobicContact CB-CD2 4.34Å; P249-Y256 HydrophobicContact CB-CE2 4.23Å; P249-Y256 HydrophobicContact CG-CE2 4.17Å |
| 250 | T | 67.8 | Low | 70.2 | Confident | 80 Ų | 80 | 62 Ų | 62 | 49% | 0.491 | 34% | 0.342 | S | S | . | . | trans | -77.8 | 16.3 | 176.8 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | M230 T232 A248 | M230-T250 PolarHBondContact O-N 2.98Å; M230-T250 PolarHBondContact O-OG1 3.35Å; T232-T250 HydrophobicContact CG2-CG2 3.77Å; T232-T250 WeakPolarHBondContact OG1-CG2 3.36Å; A248-T250 PolarHBondContact O-N 3.39Å | ||
| 251 | W | 68.1 | Low | 71.3 | Confident | 42 Ų | 42 | 58 Ų | 58 | 16% | 0.159 | 32% | 0.322 | C | S | . | . | trans | -71.6 | 143.9 | -174 | -69.9 | 67.9 | 0 | 0 | 0 | 112.5 | P226 M230 P249 A255 Y256 Y259 | P226-W251 HydrophobicContact CB-CH2 3.79Å; P226-W251 HydrophobicContact CB-CZ2 3.68Å; M230-W251 VanDerWaalsContact CB-CD1 3.45Å; M230-W251 HydrophobicContact CB-CD2 4.47Å; M230-W251 HydrophobicContact CB-CG 4.34Å; M230-W251 HydrophobicContact CB-CZ2 4.33Å; M230-W251 HydrophobicContact CE-CD2 4.38Å; M230-W251 HydrophobicContact CE-CG 4.22Å; M230-W251 HydrophobicContact CG-CZ2 4.1Å; P249-W251 HydrophobicContact CB-CG 4.4Å; P249-W251 PolarHBondContact O-N 3.37Å; P249-W251 VanDerWaalsContact O-N 3.1Å; W251-A255 VanDerWaalsContact CE3-C 3.43Å; W251-A255 HydrophobicContact CE3-CB 3.63Å; W251-A255 HydrophobicContact CZ3-CB 4.05Å; W251-Y256 HydrophobicContact CB-CD2 4.31Å; W251-Y256 HydrophobicContact CB-CG 4.46Å; W251-Y256 HydrophobicContact CD2-CD2 4.44Å; W251-Y256 HydrophobicContact CG-CD2 4.13Å; W251-Y259 HydrophobicContact CH2-CD1 4.12Å; W251-Y259 AromaticContact CH2-CD2 3.73Å; W251-Y259 HydrophobicContact CH2-CD2 3.73Å; W251-Y259 HydrophobicContact CH2-CE2 4.46Å; W251-Y259 AromaticContact CH2-CG 3.53Å; W251-Y259 HydrophobicContact CH2-CG 3.53Å; W251-Y259 AromaticContact CZ2-CD1 3.96Å; W251-Y259 HydrophobicContact CZ2-CD1 3.96Å; W251-Y259 HydrophobicContact CZ2-CD2 4.15Å; W251-Y259 HydrophobicContact CZ2-CE1 4.35Å; W251-Y259 AromaticContact CZ2-CG 3.85Å; W251-Y259 HydrophobicContact CZ2-CG 3.85Å; W251-Y259 HydrophobicContact CZ3-CG 4.14Å | ||
| 252 | A | 72.1 | Confident | 73 | Confident | 64 Ų | 64 | 58.6 Ų | 58.6 | 53% | 0.529 | 31% | 0.314 | S | S | . | . | trans | -59.8 | 136.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | R254 A255 Y256 | A252-R254 PolarHBondContact O-N 3.31Å; A252-A255 HydrophobicContact CB-CB 4.48Å; A252-A255 PolarHBondContact O-N 2.97Å; A252-Y256 PolarHBondContact O-N 3.05Å | ||
| 253 | P | 69 | Low | 74.2 | Confident | 95 Ų | 95 | 56.2 Ų | 56.2 | 62% | 0.617 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -54.8 | -33.8 | -172.3 | -30.2 | 35.2 | 0 | 0 | 0 | 115.1 | K257 | P253-K257 WeakPolarHBondContact O-CB 3.35Å; P253-K257 PolarHBondContact O-N 3.01Å; P253-K257 VanDerWaalsContact O-N 3.09Å |
| 254 | R | 73.6 | Confident | 75.2 | Confident | 217 Ų | 217 | 54.3 Ų | 54.3 | 82% | 0.819 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -67.1 | -44.6 | 175.8 | -63.4 | -174.4 | -174.7 | -170.4 | 2.9 | 112.3 | A252 K257 I258 | A252-R254 PolarHBondContact O-N 3.31Å; R254-K257 PolarHBondContact O-N 3.45Å; R254-I258 WeakPolarHBondContact O-CG1 3.46Å; R254-I258 PolarHBondContact O-N 2.9Å |
| 255 | A | 78.3 | Confident | 76.4 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 31% | 0.314 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.9 | -40.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | W251 A252 K257 I258 Y259 | W251-A255 VanDerWaalsContact CE3-C 3.43Å; W251-A255 HydrophobicContact CE3-CB 3.63Å; W251-A255 HydrophobicContact CZ3-CB 4.05Å; A252-A255 HydrophobicContact CB-CB 4.48Å; A252-A255 PolarHBondContact O-N 2.97Å; A255-K257 PolarHBondContact O-N 3.48Å; A255-I258 PolarHBondContact O-N 3.28Å; A255-Y259 WeakPolarHBondContact O-CB 3.45Å; A255-Y259 PolarHBondContact O-N 3.25Å |
| 256 | Y | 76.6 | Confident | 77.5 | Confident | 17 Ų | 17 | 49 Ų | 49 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 173.8 | -173.6 | -113.2 | 0 | 0 | 0 | 112.5 | L50 P249 W251 A252 Y259 L260 L333 | L50-Y256 HydrophobicContact CD2-CE1 4.42Å; L50-Y256 WeakPolarHBondContact CD2-OH 3.35Å; P249-Y256 HydrophobicContact CB-CD2 4.34Å; P249-Y256 HydrophobicContact CB-CE2 4.23Å; P249-Y256 HydrophobicContact CG-CE2 4.17Å; W251-Y256 HydrophobicContact CB-CD2 4.31Å; W251-Y256 HydrophobicContact CB-CG 4.46Å; W251-Y256 HydrophobicContact CD2-CD2 4.44Å; W251-Y256 HydrophobicContact CG-CD2 4.13Å; A252-Y256 PolarHBondContact O-N 3.05Å; Y256-Y259 PolarHBondContact O-N 3.34Å; Y256-L260 HydrophobicContact CD1-CD1 4.26Å; Y256-L260 HydrophobicContact CE1-CD1 3.47Å; Y256-L260 VanDerWaalsContact CE1-CD1 3.47Å; Y256-L260 HydrophobicContact CE1-CG 4.27Å; Y256-L260 HydrophobicContact CE2-CD1 4.21Å; Y256-L260 HydrophobicContact CE2-CG 4.24Å; Y256-L260 VanDerWaalsContact CZ-CD1 3.43Å; Y256-L260 PolarHBondContact O-N 2.99Å; Y256-L260 WeakPolarHBondContact OH-CD1 3.1Å; Y256-L333 HydrophobicContact CD1-CD2 4.09Å; Y256-L333 HydrophobicContact CE1-CD2 4.2Å |
| 257 | K | 76.1 | Confident | 78.5 | Confident | 61 Ų | 61 | 48.5 Ų | 48.5 | 27% | 0.265 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 175.2 | 176.9 | 173.5 | -178.3 | 166.3 | 0 | 112.4 | P253 R254 A255 T261 L333 Y334 | P253-K257 WeakPolarHBondContact O-CB 3.35Å; P253-K257 PolarHBondContact O-N 3.01Å; P253-K257 VanDerWaalsContact O-N 3.09Å; R254-K257 PolarHBondContact O-N 3.45Å; A255-K257 PolarHBondContact O-N 3.48Å; K257-T261 WeakPolarHBondContact O-CB 3.47Å; K257-T261 PolarHBondContact O-N 3.04Å; K257-T261 VanDerWaalsContact O-N 3.09Å; K257-T261 PolarHBondContact O-OG1 3.34Å; K257-L333 HydrophobicContact CD-CB 4.31Å; K257-L333 WeakPolarHBondContact CD-O 3.4Å; K257-L333 VanDerWaalsContact CE-O 3.22Å; K257-L333 WeakPolarHBondContact CE-O 3.29Å; K257-L333 HydrophobicContact CG-CB 4.15Å; K257-L333 PolarHBondContact NZ-O 2.83Å; K257-Y334 HydrophobicContact CG-CE2 4.28Å |
| 258 | I | 85.4 | Confident | 79.5 | Confident | 111 Ų | 111 | 48.6 Ų | 48.6 | 57% | 0.569 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.6 | -47.9 | 176.8 | -68.4 | 164 | 0 | 0 | 0 | 109.9 | R254 A255 T261 V262 | R254-I258 WeakPolarHBondContact O-CG1 3.46Å; R254-I258 PolarHBondContact O-N 2.9Å; A255-I258 PolarHBondContact O-N 3.28Å; I258-T261 WeakPolarHBondContact O-CB 3.4Å; I258-T261 PolarHBondContact O-N 2.97Å; I258-V262 HydrophobicContact CG2-CG2 4.41Å; I258-V262 WeakPolarHBondContact O-CG2 3.43Å; I258-V262 PolarHBondContact O-N 2.93Å |
| 259 | Y | 83.8 | Confident | 80.8 | Confident | 18 Ų | 18 | 50.6 Ų | 50.6 | 7% | 0.071 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.1 | -51.9 | -179.9 | 174.7 | -110.5 | 0 | 0 | 0 | 113 | L223 P226 M227 W251 A255 Y256 T261 V262 L263 | L223-Y259 PolarHBondContact O-OH 3.2Å; P226-Y259 HydrophobicContact CB-CD2 4.14Å; P226-Y259 HydrophobicContact CB-CE2 3.73Å; P226-Y259 HydrophobicContact CG-CD2 4.47Å; P226-Y259 HydrophobicContact CG-CE2 3.94Å; M227-Y259 HydrophobicContact CB-CE1 4.38Å; M227-Y259 WeakPolarHBondContact CB-OH 3.4Å; M227-Y259 HydrophobicContact SD-CE1 4.19Å; W251-Y259 HydrophobicContact CH2-CD1 4.12Å; W251-Y259 AromaticContact CH2-CD2 3.73Å; W251-Y259 HydrophobicContact CH2-CD2 3.73Å; W251-Y259 HydrophobicContact CH2-CE2 4.46Å; W251-Y259 AromaticContact CH2-CG 3.53Å; W251-Y259 HydrophobicContact CH2-CG 3.53Å; W251-Y259 AromaticContact CZ2-CD1 3.96Å; W251-Y259 HydrophobicContact CZ2-CD1 3.96Å; W251-Y259 HydrophobicContact CZ2-CD2 4.15Å; W251-Y259 HydrophobicContact CZ2-CE1 4.35Å; W251-Y259 AromaticContact CZ2-CG 3.85Å; W251-Y259 HydrophobicContact CZ2-CG 3.85Å; W251-Y259 HydrophobicContact CZ3-CG 4.14Å; A255-Y259 WeakPolarHBondContact O-CB 3.45Å; A255-Y259 PolarHBondContact O-N 3.25Å; Y256-Y259 PolarHBondContact O-N 3.34Å; Y259-T261 VanDerWaalsContact C-N 3.26Å; Y259-T261 PolarHBondContact O-N 2.95Å; Y259-V262 PolarHBondContact O-N 2.94Å; Y259-L263 HydrophobicContact CD1-CD1 4.37Å; Y259-L263 HydrophobicContact CD2-CG 4.48Å; Y259-L263 HydrophobicContact CE1-CD1 3.67Å; Y259-L263 HydrophobicContact CE1-CG 4.22Å; Y259-L263 HydrophobicContact CE2-CD1 4.27Å; Y259-L263 HydrophobicContact CE2-CD2 4.01Å; Y259-L263 HydrophobicContact CE2-CG 4.06Å; Y259-L263 PolarHBondContact O-N 2.89Å |
| 260 | L | 80.9 | Confident | 81.9 | Confident | 18 Ų | 18 | 52.3 Ų | 52.3 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.5 | -32.9 | 176.9 | -78.5 | -177.1 | 0 | 0 | 0 | 113.1 | Y256 L263 F264 W326 L330 L333 | Y256-L260 HydrophobicContact CD1-CD1 4.26Å; Y256-L260 HydrophobicContact CE1-CD1 3.47Å; Y256-L260 VanDerWaalsContact CE1-CD1 3.47Å; Y256-L260 HydrophobicContact CE1-CG 4.27Å; Y256-L260 HydrophobicContact CE2-CD1 4.21Å; Y256-L260 HydrophobicContact CE2-CG 4.24Å; Y256-L260 VanDerWaalsContact CZ-CD1 3.43Å; Y256-L260 PolarHBondContact O-N 2.99Å; Y256-L260 WeakPolarHBondContact OH-CD1 3.1Å; L260-L263 HydrophobicContact CD2-CD1 4.38Å; L260-L263 PolarHBondContact O-N 3.38Å; L260-F264 WeakPolarHBondContact O-CB 3.33Å; L260-F264 PolarHBondContact O-N 3.3Å; L260-W326 HydrophobicContact CD2-CZ3 4.15Å; L260-L330 HydrophobicContact CB-CD2 4.09Å; L260-L333 HydrophobicContact CB-CD1 4.16Å; L260-L333 HydrophobicContact CD1-CD1 3.49Å; L260-L333 VanDerWaalsContact CD1-CD1 3.49Å; L260-L333 HydrophobicContact CG-CD1 4.45Å |
| 261 | T | 86.1 | Confident | 82.8 | Confident | 45 Ų | 45 | 48.8 Ų | 48.8 | 28% | 0.276 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69 | -40.1 | 176.1 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | K257 I258 Y259 F264 G265 Y334 | K257-T261 WeakPolarHBondContact O-CB 3.47Å; K257-T261 PolarHBondContact O-N 3.04Å; K257-T261 VanDerWaalsContact O-N 3.09Å; K257-T261 PolarHBondContact O-OG1 3.34Å; I258-T261 WeakPolarHBondContact O-CB 3.4Å; I258-T261 PolarHBondContact O-N 2.97Å; Y259-T261 VanDerWaalsContact C-N 3.26Å; Y259-T261 PolarHBondContact O-N 2.95Å; T261-F264 PolarHBondContact O-N 2.86Å; T261-G265 PolarHBondContact O-N 2.78Å; T261-Y334 WeakPolarHBondContact CG2-OH 3.29Å; T261-Y334 PolarHBondContact OG1-OH 3.33Å |
| 262 | V | 90.6 | Very high | 83.7 | Confident | 73 Ų | 73 | 47.1 Ų | 47.1 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.1 | -48.2 | 171.9 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | I258 Y259 F264 G265 T266 | I258-V262 HydrophobicContact CG2-CG2 4.41Å; I258-V262 WeakPolarHBondContact O-CG2 3.43Å; I258-V262 PolarHBondContact O-N 2.93Å; Y259-V262 PolarHBondContact O-N 2.94Å; V262-F264 PolarHBondContact O-N 2.95Å; V262-G265 PolarHBondContact O-N 3.48Å; V262-G265 VanDerWaalsContact O-N 3.16Å; V262-T266 HydrophobicContact CG1-CG2 4.23Å; V262-T266 WeakPolarHBondContact O-CG2 3.46Å; V262-T266 PolarHBondContact O-N 2.95Å; V262-T266 PolarHBondContact O-OG1 2.65Å; V262-T266 VanDerWaalsContact O-OG1 3.11Å |
| 263 | L | 87.4 | Confident | 84.5 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 177.9 | -68.4 | -169.5 | 0 | 0 | 0 | 112.4 | L223 Y259 L260 T266 S267 W326 | L223-L263 HydrophobicContact CB-CD2 4.06Å; L223-L263 HydrophobicContact CD2-CD2 4.33Å; Y259-L263 HydrophobicContact CD1-CD1 4.37Å; Y259-L263 HydrophobicContact CD2-CG 4.48Å; Y259-L263 HydrophobicContact CE1-CD1 3.67Å; Y259-L263 HydrophobicContact CE1-CG 4.22Å; Y259-L263 HydrophobicContact CE2-CD1 4.27Å; Y259-L263 HydrophobicContact CE2-CD2 4.01Å; Y259-L263 HydrophobicContact CE2-CG 4.06Å; Y259-L263 PolarHBondContact O-N 2.89Å; L260-L263 HydrophobicContact CD2-CD1 4.38Å; L260-L263 PolarHBondContact O-N 3.38Å; L263-T266 PolarHBondContact O-N 3.43Å; L263-T266 PolarHBondContact O-OG1 3.21Å; L263-S267 WeakPolarHBondContact O-CB 3.5Å; L263-S267 PolarHBondContact O-N 3.17Å; L263-S267 PolarHBondContact O-OG 3.49Å; L263-W326 HydrophobicContact CB-CH2 3.49Å; L263-W326 VanDerWaalsContact CB-CH2 3.49Å; L263-W326 HydrophobicContact CB-CZ2 4.45Å; L263-W326 HydrophobicContact CB-CZ3 3.85Å; L263-W326 HydrophobicContact CD1-CH2 3.98Å; L263-W326 HydrophobicContact CG-CH2 4.43Å |
| 264 | F | 87.8 | Confident | 85.4 | Confident | 48 Ų | 48 | 49 Ų | 49 | 21% | 0.211 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 174.8 | 174 | -111 | 0 | 0 | 0 | 112 | L260 T261 V262 S267 I268 V269 W326 L330 | L260-F264 WeakPolarHBondContact O-CB 3.33Å; L260-F264 PolarHBondContact O-N 3.3Å; T261-F264 PolarHBondContact O-N 2.86Å; V262-F264 PolarHBondContact O-N 2.95Å; F264-S267 PolarHBondContact O-N 2.9Å; F264-I268 HydrophobicContact CD2-CB 3.83Å; F264-I268 HydrophobicContact CD2-CG1 3.77Å; F264-I268 HydrophobicContact CD2-CG2 4.4Å; F264-I268 HydrophobicContact CE2-CB 3.75Å; F264-I268 HydrophobicContact CE2-CG1 3.96Å; F264-I268 HydrophobicContact CE2-CG2 3.8Å; F264-I268 HydrophobicContact CZ-CG2 4.39Å; F264-I268 WeakPolarHBondContact O-CB 3.11Å; F264-I268 PolarHBondContact O-N 3.29Å; F264-V269 HydrophobicContact CD1-CG2 4.03Å; F264-V269 HydrophobicContact CE1-CG2 3.62Å; F264-V269 HydrophobicContact CZ-CG2 4.02Å; F264-V269 PolarHBondContact O-N 3.25Å; F264-W326 HydrophobicContact CB-CD2 4.44Å; F264-W326 HydrophobicContact CB-CE3 3.89Å; F264-W326 HydrophobicContact CB-CZ3 4.32Å; F264-W326 HydrophobicContact CD2-CB 3.6Å; F264-W326 HydrophobicContact CD2-CD2 4.18Å; F264-W326 HydrophobicContact CD2-CE3 4.33Å; F264-W326 AromaticContact CD2-CG 3.88Å; F264-W326 HydrophobicContact CD2-CG 3.88Å; F264-W326 HydrophobicContact CE2-CB 3.92Å; F264-L330 HydrophobicContact CB-CD1 3.79Å; F264-L330 HydrophobicContact CD1-CD1 3.68Å; F264-L330 HydrophobicContact CD2-CD1 3.96Å; F264-L330 HydrophobicContact CE1-CD1 4.22Å; F264-L330 HydrophobicContact CE2-CD1 4.45Å; F264-L330 HydrophobicContact CG-CD1 3.53Å |
| 265 | G | 90.9 | Very high | 85.8 | Confident | 27 Ų | 27 | 39 Ų | 39 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -59.3 | -47.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T261 V262 V269 A270 | T261-G265 PolarHBondContact O-N 2.78Å; V262-G265 PolarHBondContact O-N 3.48Å; V262-G265 VanDerWaalsContact O-N 3.16Å; G265-V269 PolarHBondContact O-N 3.39Å; G265-A270 WeakPolarHBondContact O-CB 2.95Å; G265-A270 PolarHBondContact O-N 3.32Å |
| 266 | T | 89.9 | Confident | 86.1 | Confident | 44 Ų | 44 | 38.8 Ų | 38.8 | 27% | 0.27 | 23% | 0.227 | S | C | . | . | I | π-helix | trans | -77.3 | -24.5 | -178.3 | 58.5 | 0 | 0 | 0 | 0 | 113.8 | F182 L223 V262 L263 P271 | F182-T266 WeakPolarHBondContact CE1-O 3.06Å; L223-T266 HydrophobicContact CD2-CG2 4.31Å; V262-T266 HydrophobicContact CG1-CG2 4.23Å; V262-T266 WeakPolarHBondContact O-CG2 3.46Å; V262-T266 PolarHBondContact O-N 2.95Å; V262-T266 PolarHBondContact O-OG1 2.65Å; V262-T266 VanDerWaalsContact O-OG1 3.11Å; L263-T266 PolarHBondContact O-N 3.43Å; L263-T266 PolarHBondContact O-OG1 3.21Å; T266-P271 WeakPolarHBondContact O-CD 3.21Å; T266-P271 WeakPolarHBondContact O-CG 3.45Å |
| 267 | S | 86.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -108.8 | -23.4 | -170.1 | -48 | 0 | 0 | 0 | 0 | 114.4 | H178 I181 L263 F264 | H178-S267 PolarHBondContact CE1-OG 3.28Å; H178-S267 PolarHBondContact ND1-OG 3.27Å; I181-S267 WeakPolarHBondContact CG2-O 3.49Å; L263-S267 WeakPolarHBondContact O-CB 3.5Å; L263-S267 PolarHBondContact O-N 3.17Å; L263-S267 PolarHBondContact O-OG 3.49Å; F264-S267 PolarHBondContact O-N 2.9Å |
| 268 | I | 88.1 | Confident | 86.9 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -114.4 | -57.7 | 176.4 | -57.1 | -62.2 | 0 | 0 | 0 | 109.9 | F264 G272 F318 W319 F322 W326 | F264-I268 HydrophobicContact CD2-CB 3.83Å; F264-I268 HydrophobicContact CD2-CG1 3.77Å; F264-I268 HydrophobicContact CD2-CG2 4.4Å; F264-I268 HydrophobicContact CE2-CB 3.75Å; F264-I268 HydrophobicContact CE2-CG1 3.96Å; F264-I268 HydrophobicContact CE2-CG2 3.8Å; F264-I268 HydrophobicContact CZ-CG2 4.39Å; F264-I268 WeakPolarHBondContact O-CB 3.11Å; F264-I268 PolarHBondContact O-N 3.29Å; I268-G272 WeakPolarHBondContact O-CA 3.39Å; I268-G272 PolarHBondContact O-N 3.28Å; I268-F318 HydrophobicContact CD1-CE1 4.03Å; I268-F318 HydrophobicContact CD1-CZ 3.74Å; I268-W319 HydrophobicContact CG2-CE3 4.48Å; I268-W319 HydrophobicContact CG2-CZ3 4.45Å; I268-F322 HydrophobicContact CD1-CB 3.81Å; I268-W326 VanDerWaalsContact CD1-CD1 3.47Å; I268-W326 HydrophobicContact CD1-CG 4.38Å; I268-W326 HydrophobicContact CG1-CB 4.45Å; I268-W326 HydrophobicContact CG1-CD2 4.45Å; I268-W326 HydrophobicContact CG1-CG 3.85Å |
| 269 | V | 90.4 | Very high | 86.6 | Confident | 57 Ų | 57 | 39 Ų | 39 | 35% | 0.345 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -67.8 | -52.7 | -170.6 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | F264 G265 G272 L273 | F264-V269 HydrophobicContact CD1-CG2 4.03Å; F264-V269 HydrophobicContact CE1-CG2 3.62Å; F264-V269 HydrophobicContact CZ-CG2 4.02Å; F264-V269 PolarHBondContact O-N 3.25Å; G265-V269 PolarHBondContact O-N 3.39Å; V269-G272 PolarHBondContact O-N 3.4Å; V269-L273 HydrophobicContact CG1-CD1 3.85Å; V269-L273 HydrophobicContact CG1-CG 4.25Å; V269-L273 WeakPolarHBondContact O-CB 3.11Å; V269-L273 VanDerWaalsContact O-CG 3.3Å; V269-L273 WeakPolarHBondContact O-CG 3.25Å; V269-L273 PolarHBondContact O-N 3.27Å |
| 270 | A | 89.9 | Confident | 86.5 | Confident | 41 Ų | 41 | 42.8 Ų | 42.8 | 34% | 0.339 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.1 | -49.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G265 G272 L273 I274 | G265-A270 WeakPolarHBondContact O-CB 2.95Å; G265-A270 PolarHBondContact O-N 3.32Å; A270-G272 PolarHBondContact O-N 2.99Å; A270-L273 PolarHBondContact O-N 3.46Å; A270-I274 WeakPolarHBondContact O-CD1 3.39Å; A270-I274 VanDerWaalsContact O-CG1 3.25Å; A270-I274 WeakPolarHBondContact O-CG1 3.34Å; A270-I274 PolarHBondContact O-N 3.15Å |
| 271 | P | 87.5 | Confident | 86.5 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.032 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.2 | -43.7 | 170.2 | -30.4 | 39.2 | 0 | 0 | 0 | 111.8 | I181 F182 T266 I274 I275 | I181-P271 HydrophobicContact CG2-CB 4.06Å; I181-P271 HydrophobicContact CG2-CG 3.69Å; F182-P271 HydrophobicContact CD1-CG 4.43Å; F182-P271 HydrophobicContact CE1-CG 4.24Å; T266-P271 WeakPolarHBondContact O-CD 3.21Å; T266-P271 WeakPolarHBondContact O-CG 3.45Å; P271-I274 PolarHBondContact O-N 3.04Å; P271-I275 VanDerWaalsContact O-CB 3.3Å; P271-I275 WeakPolarHBondContact O-CB 3.33Å; P271-I275 WeakPolarHBondContact O-CD1 3.26Å; P271-I275 WeakPolarHBondContact O-CG1 3.43Å; P271-I275 PolarHBondContact O-N 3.04Å |
| 272 | G | 86.3 | Confident | 86 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 7% | 0.072 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.2 | -50.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | I268 V269 A270 I275 G276 | I268-G272 WeakPolarHBondContact O-CA 3.39Å; I268-G272 PolarHBondContact O-N 3.28Å; V269-G272 PolarHBondContact O-N 3.4Å; A270-G272 PolarHBondContact O-N 2.99Å; G272-I275 PolarHBondContact O-N 3.05Å; G272-G276 PolarHBondContact O-N 3.14Å |
| 273 | L | 89.1 | Confident | 85.4 | Confident | 121 Ų | 121 | 44.8 Ų | 44.8 | 63% | 0.634 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.1 | -44.1 | 178 | -71.5 | 174.2 | 0 | 0 | 0 | 111.9 | V269 A270 I275 G276 Y277 | V269-L273 HydrophobicContact CG1-CD1 3.85Å; V269-L273 HydrophobicContact CG1-CG 4.25Å; V269-L273 WeakPolarHBondContact O-CB 3.11Å; V269-L273 VanDerWaalsContact O-CG 3.3Å; V269-L273 WeakPolarHBondContact O-CG 3.25Å; V269-L273 PolarHBondContact O-N 3.27Å; A270-L273 PolarHBondContact O-N 3.46Å; L273-I275 PolarHBondContact O-N 2.91Å; L273-G276 PolarHBondContact O-N 3.29Å; L273-Y277 VanDerWaalsContact O-CB 3.28Å; L273-Y277 WeakPolarHBondContact O-CB 2.99Å; L273-Y277 PolarHBondContact O-N 3.13Å |
| 274 | I | 87.6 | Confident | 84.9 | Confident | 79 Ų | 79 | 46.5 Ų | 46.5 | 41% | 0.405 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.4 | -51.8 | 176.1 | -69.3 | 164.1 | 0 | 0 | 0 | 109.6 | T185 A270 P271 Y277 L278 | T185-I274 HydrophobicContact CG2-CB 4.4Å; T185-I274 HydrophobicContact CG2-CD1 4.38Å; T185-I274 HydrophobicContact CG2-CG2 3.96Å; A270-I274 WeakPolarHBondContact O-CD1 3.39Å; A270-I274 VanDerWaalsContact O-CG1 3.25Å; A270-I274 WeakPolarHBondContact O-CG1 3.34Å; A270-I274 PolarHBondContact O-N 3.15Å; P271-I274 PolarHBondContact O-N 3.04Å; I274-Y277 PolarHBondContact O-N 3.07Å; I274-L278 HydrophobicContact CG2-CD1 3.93Å; I274-L278 VanDerWaalsContact O-CG 3.23Å; I274-L278 WeakPolarHBondContact O-CG 3.28Å; I274-L278 PolarHBondContact O-N 3.39Å |
| 275 | I | 83.8 | Confident | 84.1 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.6 | -44 | -176.5 | -67.3 | 165.6 | 0 | 0 | 0 | 110.9 | T185 C188 P271 G272 L273 Y277 L278 Y279 V315 | T185-I275 HydrophobicContact CG2-CD1 4.48Å; T185-I275 HydrophobicContact CG2-CG1 4.36Å; C188-I275 HydrophobicContact CB-CG1 4.12Å; P271-I275 VanDerWaalsContact O-CB 3.3Å; P271-I275 WeakPolarHBondContact O-CB 3.33Å; P271-I275 WeakPolarHBondContact O-CD1 3.26Å; P271-I275 WeakPolarHBondContact O-CG1 3.43Å; P271-I275 PolarHBondContact O-N 3.04Å; G272-I275 PolarHBondContact O-N 3.05Å; L273-I275 PolarHBondContact O-N 2.91Å; I275-Y277 PolarHBondContact O-N 3.01Å; I275-L278 PolarHBondContact O-N 3.09Å; I275-Y279 HydrophobicContact CG2-CD2 3.68Å; I275-Y279 HydrophobicContact CG2-CE2 3.62Å; I275-Y279 VanDerWaalsContact O-CD2 3.23Å; I275-Y279 WeakPolarHBondContact O-CD2 3.36Å; I275-Y279 PolarHBondContact O-N 2.73Å; I275-V315 HydrophobicContact CD1-CG2 4.16Å; I275-V315 HydrophobicContact CG2-CB 4.25Å; I275-V315 HydrophobicContact CG2-CG1 3.69Å; I275-V315 HydrophobicContact CG2-CG2 3.69Å |
| 276 | G | 84.1 | Confident | 83.2 | Confident | 35 Ų | 35 | 51.2 Ų | 51.2 | 36% | 0.361 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.6 | -46.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G272 L273 Y279 T280 | G272-G276 PolarHBondContact O-N 3.14Å; L273-G276 PolarHBondContact O-N 3.29Å; G276-Y279 PolarHBondContact O-N 3.11Å; G276-T280 WeakPolarHBondContact O-CG2 3.18Å; G276-T280 PolarHBondContact O-N 3.4Å; G276-T280 PolarHBondContact O-OG1 3.07Å |
| 277 | Y | 86.1 | Confident | 82.4 | Confident | 134 Ų | 134 | 55.2 Ų | 55.2 | 53% | 0.525 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 175.5 | 170.6 | -103.2 | 0 | 0 | 0 | 113.1 | L273 I274 I275 Y279 T280 K281 | L273-Y277 VanDerWaalsContact O-CB 3.28Å; L273-Y277 WeakPolarHBondContact O-CB 2.99Å; L273-Y277 PolarHBondContact O-N 3.13Å; I274-Y277 PolarHBondContact O-N 3.07Å; I275-Y277 PolarHBondContact O-N 3.01Å; Y277-Y279 VanDerWaalsContact C-N 3.27Å; Y277-Y279 PolarHBondContact O-N 2.76Å; Y277-T280 PolarHBondContact O-N 3.39Å; Y277-T280 PolarHBondContact O-OG1 3.19Å; Y277-T280 VanDerWaalsContact O-OG1 3.07Å; Y277-K281 HydrophobicContact CD2-CG 4.4Å; Y277-K281 HydrophobicContact CE1-CG 4.32Å; Y277-K281 HydrophobicContact CE2-CD 4.5Å; Y277-K281 HydrophobicContact CE2-CG 3.86Å; Y277-K281 WeakPolarHBondContact O-CB 3.13Å; Y277-K281 PolarHBondContact O-N 3.33Å; Y277-K281 VanDerWaalsContact O-N 3.09Å; Y277-K281 VanDerWaalsContact OH-CE 3.25Å; Y277-K281 WeakPolarHBondContact OH-CE 3.17Å |
| 278 | L | 83.6 | Confident | 81.9 | Confident | 18 Ų | 18 | 61.2 Ų | 61.2 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.9 | -37.9 | 175.4 | -67.5 | 169.5 | 0 | 0 | 0 | 111.1 | Y192 I274 I275 L282 | Y192-L278 HydrophobicContact CD1-CD2 3.5Å; Y192-L278 HydrophobicContact CD2-CB 4.28Å; Y192-L278 HydrophobicContact CD2-CD2 4.1Å; Y192-L278 WeakPolarHBondContact CD2-O 3.43Å; Y192-L278 HydrophobicContact CE1-CD2 3.93Å; Y192-L278 HydrophobicContact CE2-CD2 4.47Å; Y192-L278 HydrophobicContact CG-CB 4.35Å; Y192-L278 HydrophobicContact CG-CD2 3.59Å; Y192-L278 HydrophobicContact CG-CG 4.5Å; I274-L278 HydrophobicContact CG2-CD1 3.93Å; I274-L278 VanDerWaalsContact O-CG 3.23Å; I274-L278 WeakPolarHBondContact O-CG 3.28Å; I274-L278 PolarHBondContact O-N 3.39Å; I275-L278 PolarHBondContact O-N 3.09Å; L278-L282 WeakPolarHBondContact O-CB 3.27Å; L278-L282 PolarHBondContact O-N 3.29Å; L278-L282 VanDerWaalsContact O-N 3.1Å |
| 279 | Y | 78.9 | Confident | 80.9 | Confident | 41 Ų | 41 | 64.5 Ų | 64.5 | 16% | 0.161 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.6 | -40.7 | 176.7 | -84.9 | -64.7 | 0 | 0 | 0 | 114.1 | I275 G276 Y277 L282 A283 L308 I311 F312 | I275-Y279 HydrophobicContact CG2-CD2 3.68Å; I275-Y279 HydrophobicContact CG2-CE2 3.62Å; I275-Y279 VanDerWaalsContact O-CD2 3.23Å; I275-Y279 WeakPolarHBondContact O-CD2 3.36Å; I275-Y279 PolarHBondContact O-N 2.73Å; G276-Y279 PolarHBondContact O-N 3.11Å; Y277-Y279 VanDerWaalsContact C-N 3.27Å; Y277-Y279 PolarHBondContact O-N 2.76Å; Y279-L282 HydrophobicContact CD1-CD2 4.22Å; Y279-L282 HydrophobicContact CE1-CD2 4.27Å; Y279-L282 PolarHBondContact O-N 3.36Å; Y279-A283 WeakPolarHBondContact O-CB 3.33Å; Y279-A283 PolarHBondContact O-N 2.63Å; Y279-L308 PolarHBondContact OH-O 3.25Å; Y279-L308 VanDerWaalsContact OH-O 3.06Å; Y279-I311 VanDerWaalsContact OH-C 3.25Å; Y279-I311 WeakPolarHBondContact OH-CB 3.43Å; Y279-I311 WeakPolarHBondContact OH-CG2 3.4Å; Y279-F312 HydrophobicContact CD1-CD2 4.32Å; Y279-F312 HydrophobicContact CD2-CD2 4.06Å; Y279-F312 HydrophobicContact CE1-CB 3.89Å; Y279-F312 HydrophobicContact CE1-CD2 4.3Å; Y279-F312 HydrophobicContact CE1-CG 4.5Å; Y279-F312 HydrophobicContact CE2-CB 4.27Å; Y279-F312 HydrophobicContact CE2-CD2 4.04Å; Y279-F312 HydrophobicContact CG-CD2 4.23Å; Y279-F312 WeakPolarHBondContact OH-CA 3.23Å; Y279-F312 PolarHBondContact OH-N 3.06Å |
| 280 | T | 81.5 | Confident | 79.9 | Confident | 97 Ų | 97 | 66.5 Ų | 66.5 | 60% | 0.595 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66 | -43.6 | 177.6 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | G276 Y277 L282 A283 G284 | G276-T280 WeakPolarHBondContact O-CG2 3.18Å; G276-T280 PolarHBondContact O-N 3.4Å; G276-T280 PolarHBondContact O-OG1 3.07Å; Y277-T280 PolarHBondContact O-N 3.39Å; Y277-T280 PolarHBondContact O-OG1 3.19Å; Y277-T280 VanDerWaalsContact O-OG1 3.07Å; T280-L282 VanDerWaalsContact C-N 3.34Å; T280-L282 PolarHBondContact O-N 2.85Å; T280-A283 PolarHBondContact O-N 2.89Å; T280-G284 PolarHBondContact O-N 2.81Å |
| 281 | K | 81.2 | Confident | 78.6 | Confident | 101 Ų | 101 | 72.9 Ų | 72.9 | 44% | 0.439 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -55.9 | -47.7 | 171.7 | -81.7 | -74 | -177 | -179.1 | 0 | 112 | Y192 Y277 G284 T285 | Y192-K281 HydrophobicContact CE2-CB 3.89Å; Y277-K281 HydrophobicContact CD2-CG 4.4Å; Y277-K281 HydrophobicContact CE1-CG 4.32Å; Y277-K281 HydrophobicContact CE2-CD 4.5Å; Y277-K281 HydrophobicContact CE2-CG 3.86Å; Y277-K281 WeakPolarHBondContact O-CB 3.13Å; Y277-K281 PolarHBondContact O-N 3.33Å; Y277-K281 VanDerWaalsContact O-N 3.09Å; Y277-K281 VanDerWaalsContact OH-CE 3.25Å; Y277-K281 WeakPolarHBondContact OH-CE 3.17Å; K281-G284 PolarHBondContact O-N 2.64Å; K281-T285 PolarHBondContact O-N 2.96Å; K281-T285 PolarHBondContact O-OG1 3.23Å |
| 282 | L | 75.5 | Confident | 77.3 | Confident | 17 Ų | 17 | 78.8 Ų | 78.8 | 9% | 0.089 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.1 | -38.9 | -177.9 | -179.8 | 62.1 | 0 | 0 | 0 | 113.2 | Y192 V195 L278 Y279 T280 Y286 L308 | Y192-L282 HydrophobicContact CD2-CB 4.11Å; Y192-L282 HydrophobicContact CE2-CB 4.24Å; V195-L282 HydrophobicContact CB-CD1 4.4Å; V195-L282 HydrophobicContact CG1-CD1 3.83Å; L278-L282 WeakPolarHBondContact O-CB 3.27Å; L278-L282 PolarHBondContact O-N 3.29Å; L278-L282 VanDerWaalsContact O-N 3.1Å; Y279-L282 HydrophobicContact CD1-CD2 4.22Å; Y279-L282 HydrophobicContact CE1-CD2 4.27Å; Y279-L282 PolarHBondContact O-N 3.36Å; T280-L282 VanDerWaalsContact C-N 3.34Å; T280-L282 PolarHBondContact O-N 2.85Å; L282-Y286 WeakPolarHBondContact O-CB 3.47Å; L282-Y286 PolarHBondContact O-N 3.39Å; L282-L308 HydrophobicContact CD1-CD1 3.95Å; L282-L308 HydrophobicContact CD2-CB 4.39Å; L282-L308 HydrophobicContact CD2-CD1 3.63Å; L282-L308 HydrophobicContact CD2-CD2 3.41Å; L282-L308 VanDerWaalsContact CD2-CD2 3.41Å; L282-L308 HydrophobicContact CD2-CG 3.95Å; L282-L308 HydrophobicContact CG-CD1 4.11Å |
| 283 | A | 76.8 | Confident | 75.8 | Confident | 60 Ų | 60 | 81.4 Ų | 81.4 | 50% | 0.496 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y279 T280 Y286 L287 | Y279-A283 WeakPolarHBondContact O-CB 3.33Å; Y279-A283 PolarHBondContact O-N 2.63Å; T280-A283 PolarHBondContact O-N 2.89Å; A283-Y286 PolarHBondContact O-N 2.88Å; A283-L287 WeakPolarHBondContact O-CB 3.48Å; A283-L287 PolarHBondContact O-N 3.47Å |
| 284 | G | 76.7 | Confident | 74.2 | Confident | 38 Ų | 38 | 81.7 Ų | 81.7 | 39% | 0.392 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -57.5 | -53.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T280 K281 Y286 L287 E288 | T280-G284 PolarHBondContact O-N 2.81Å; K281-G284 PolarHBondContact O-N 2.64Å; G284-Y286 VanDerWaalsContact C-N 3.25Å; G284-Y286 PolarHBondContact O-N 3.33Å; G284-L287 PolarHBondContact O-N 2.84Å; G284-L287 VanDerWaalsContact O-N 3.15Å; G284-E288 WeakPolarHBondContact O-CB 3.44Å; G284-E288 PolarHBondContact O-N 3.39Å |
| 285 | T | 72.3 | Confident | 72.5 | Confident | 69 Ų | 69 | 84 Ų | 84 | 42% | 0.423 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.3 | -35.2 | 177 | -53.3 | 0 | 0 | 0 | 0 | 112.6 | K281 S289 | K281-T285 PolarHBondContact O-N 2.96Å; K281-T285 PolarHBondContact O-OG1 3.23Å; T285-S289 VanDerWaalsContact O-CB 3.24Å; T285-S289 WeakPolarHBondContact O-CB 3.18Å; T285-S289 PolarHBondContact O-N 3.06Å |
| 286 | Y | 71.3 | Confident | 70.7 | Confident | 104 Ų | 104 | 89.8 Ų | 89.8 | 41% | 0.408 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.3 | -40.9 | 176.5 | -175.4 | -106.3 | 0 | 0 | 0 | 112.6 | L282 A283 G284 S289 Q290 Q305 | L282-Y286 WeakPolarHBondContact O-CB 3.47Å; L282-Y286 PolarHBondContact O-N 3.39Å; A283-Y286 PolarHBondContact O-N 2.88Å; G284-Y286 VanDerWaalsContact C-N 3.25Å; G284-Y286 PolarHBondContact O-N 3.33Å; Y286-S289 PolarHBondContact O-N 3.28Å; Y286-Q290 HydrophobicContact CD1-CG 4.36Å; Y286-Q290 HydrophobicContact CE1-CG 4.09Å; Y286-Q290 WeakPolarHBondContact O-CB 3.2Å; Y286-Q290 VanDerWaalsContact O-CG 3.23Å; Y286-Q290 WeakPolarHBondContact O-CG 3.49Å; Y286-Q290 PolarHBondContact O-N 3.37Å; Y286-Q290 PolarHBondContact OH-NE2 3.18Å; Y286-Q290 VanDerWaalsContact OH-NE2 3.13Å; Y286-Q305 PolarHBondContact OH-NE2 2.95Å; Y286-Q305 VanDerWaalsContact OH-NE2 3.07Å; Y286-Q305 PolarHBondContact OH-OE1 3.02Å |
| 287 | L | 74.1 | Confident | 69 | Low | 128 Ų | 128 | 98.4 Ų | 98.4 | 67% | 0.67 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.4 | -41.9 | 177.7 | -174.8 | 62.8 | 0 | 0 | 0 | 111.6 | A283 G284 Q290 K291 | A283-L287 WeakPolarHBondContact O-CB 3.48Å; A283-L287 PolarHBondContact O-N 3.47Å; G284-L287 PolarHBondContact O-N 2.84Å; G284-L287 VanDerWaalsContact O-N 3.15Å; L287-Q290 PolarHBondContact O-N 3.41Å; L287-K291 PolarHBondContact O-N 3.45Å |
| 288 | E | 75 | Confident | 66.9 | Low | 126 Ų | 126 | 101.9 Ų | 101.9 | 59% | 0.589 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.6 | -44.5 | 174.6 | -172.4 | 171.2 | -152.5 | 0 | 0 | 111.7 | G284 Q290 K291 N292 | G284-E288 WeakPolarHBondContact O-CB 3.44Å; G284-E288 PolarHBondContact O-N 3.39Å; E288-Q290 VanDerWaalsContact C-N 3.28Å; E288-Q290 PolarHBondContact O-N 2.98Å; E288-K291 PolarHBondContact O-N 3.28Å; E288-N292 PolarHBondContact O-N 3.44Å; E288-N292 PolarHBondContact O-ND2 3.28Å |
| 289 | S | 68.3 | Low | 64.9 | Low | 71 Ų | 71 | 109.7 Ų | 109.7 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.7 | -33.5 | 173.8 | -177.2 | 0 | 0 | 0 | 0 | 113 | T285 Y286 S293 | T285-S289 VanDerWaalsContact O-CB 3.24Å; T285-S289 WeakPolarHBondContact O-CB 3.18Å; T285-S289 PolarHBondContact O-N 3.06Å; Y286-S289 PolarHBondContact O-N 3.28Å; S289-S293 VanDerWaalsContact O-CB 3.32Å; S289-S293 WeakPolarHBondContact O-CB 3.27Å; S289-S293 PolarHBondContact O-N 3.45Å; S289-S293 PolarHBondContact O-OG 2.78Å |
| 290 | Q | 67.4 | Low | 63.2 | Low | 99 Ų | 99 | 115.7 Ų | 115.7 | 46% | 0.463 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -72.5 | -41.1 | 175.4 | -75.6 | -109.2 | 39.5 | 0 | 0 | 111.9 | Y286 L287 E288 N292 S293 | Y286-Q290 HydrophobicContact CD1-CG 4.36Å; Y286-Q290 HydrophobicContact CE1-CG 4.09Å; Y286-Q290 WeakPolarHBondContact O-CB 3.2Å; Y286-Q290 VanDerWaalsContact O-CG 3.23Å; Y286-Q290 WeakPolarHBondContact O-CG 3.49Å; Y286-Q290 PolarHBondContact O-N 3.37Å; Y286-Q290 PolarHBondContact OH-NE2 3.18Å; Y286-Q290 VanDerWaalsContact OH-NE2 3.13Å; L287-Q290 PolarHBondContact O-N 3.41Å; E288-Q290 VanDerWaalsContact C-N 3.28Å; E288-Q290 PolarHBondContact O-N 2.98Å; Q290-N292 PolarHBondContact O-N 3.33Å; Q290-S293 PolarHBondContact O-N 3.32Å; Q290-S293 VanDerWaalsContact O-N 3.08Å; Q290-S293 PolarHBondContact O-OG 3.08Å |
| 291 | K | 64.5 | Low | 61.6 | Low | 176 Ų | 176 | 120.4 Ų | 120.4 | 77% | 0.765 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.5 | -35.8 | 176.1 | -168.5 | 177.3 | 179.1 | -176 | 0 | 111.6 | L287 E288 | L287-K291 PolarHBondContact O-N 3.45Å; E288-K291 PolarHBondContact O-N 3.28Å |
| 292 | N | 59.9 | Low | 60.4 | Low | 129 Ų | 129 | 117.8 Ų | 117.8 | 69% | 0.69 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -12.8 | 176.2 | -65.2 | -20.9 | 0 | 0 | 0 | 113.8 | E288 Q290 | E288-N292 PolarHBondContact O-N 3.44Å; E288-N292 PolarHBondContact O-ND2 3.28Å; Q290-N292 PolarHBondContact O-N 3.33Å |
| 293 | S | 53.3 | Low | 59.5 | Low | 61 Ų | 61 | 119.9 Ų | 119.9 | 43% | 0.427 | 62% | 0.62 | S | S | . | * | trans | -107.6 | 58.7 | -176.6 | 76.5 | 0 | 0 | 0 | 0 | 113.6 | S289 Q290 V295 | S289-S293 VanDerWaalsContact O-CB 3.32Å; S289-S293 WeakPolarHBondContact O-CB 3.27Å; S289-S293 PolarHBondContact O-N 3.45Å; S289-S293 PolarHBondContact O-OG 2.78Å; Q290-S293 PolarHBondContact O-N 3.32Å; Q290-S293 VanDerWaalsContact O-N 3.08Å; Q290-S293 PolarHBondContact O-OG 3.08Å; S293-V295 PolarHBondContact O-N 3.41Å | ||
| 294 | V | 55.8 | Low | 58.7 | Low | 128 Ų | 128 | 122 Ų | 122 | 78% | 0.776 | 62% | 0.618 | S | S | * | * | trans | -64.9 | -20.3 | 173.5 | 179.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 295 | V | 52.6 | Low | 58.2 | Low | 128 Ų | 128 | 122.6 Ų | 122.6 | 78% | 0.776 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -114.6 | 59.1 | -170.4 | -163.9 | 0 | 0 | 0 | 0 | 113.6 | S293 | S293-V295 PolarHBondContact O-N 3.41Š|
| 296 | N | 45.2 | Very low | 58 | Low | 126 Ų | 126 | 123.9 Ų | 123.9 | 67% | 0.674 | 61% | 0.61 | S | S | * | * | trans | 178.3 | 83.3 | 140.3 | -106.1 | -64.5 | 0 | 0 | 0 | 113.1 | R298 | N296-R298 VanDerWaalsContact C-N 3.35Å; N296-R298 PolarHBondContact O-N 3.03Å | ||
| 297 | K | 48.8 | Very low | 57.8 | Low | 216 Ų | 216 | 120.1 Ų | 120.1 | 94% | 0.939 | 60% | 0.598 | S | S | * | * | trans | -74.6 | 84 | 163.7 | -76.9 | -177.4 | 177.8 | 175.2 | 0 | 110.8 | ||||
| 298 | R | 42.2 | Very low | 57.5 | Low | 207 Ų | 207 | 115.2 Ų | 115.2 | 78% | 0.781 | 57% | 0.572 | S | S | * | * | trans | -136 | 90.6 | 164.1 | -74.1 | -169.9 | -175.5 | 164.3 | 4.4 | 112 | N296 M300 | N296-R298 VanDerWaalsContact C-N 3.35Å; N296-R298 PolarHBondContact O-N 3.03Å; R298-M300 WeakPolarHBondContact O-CB 3.21Å; R298-M300 PolarHBondContact O-N 2.88Å | ||
| 299 | N | 42.1 | Very low | 57.4 | Low | 181 Ų | 181 | 113.3 Ų | 113.3 | 97% | 0.968 | 57% | 0.569 | S | S | * | * | trans | 28.9 | 28.5 | 147.5 | -73.3 | -12.4 | 0 | 0 | 0 | 120.9 | ||||
| 300 | M | 42.8 | Very low | 57.6 | Low | 168 Ų | 168 | 110.9 Ų | 110.9 | 83% | 0.828 | 55% | 0.55 | S | S | * | * | trans | -110.7 | 75.9 | 177.6 | -160.9 | 109.9 | 73.4 | 0 | 0 | 108.4 | R298 S302 | R298-M300 WeakPolarHBondContact O-CB 3.21Å; R298-M300 PolarHBondContact O-N 2.88Å; M300-S302 VanDerWaalsContact C-N 3.35Å; M300-S302 PolarHBondContact O-N 3.39Å | ||
| 301 | R | 48.8 | Very low | 57.8 | Low | 196 Ų | 196 | 106.2 Ų | 106.2 | 74% | 0.74 | 53% | 0.528 | S | S | * | . | trans | -50.6 | 105 | 162.7 | -84.8 | -178.8 | 174.3 | 148.3 | -3 | 106.7 | ||||
| 302 | S | 55.9 | Low | 58.3 | Low | 46 Ų | 46 | 102.2 Ų | 102.2 | 32% | 0.322 | 51% | 0.511 | S | S | . | . | trans | -59.4 | 146.7 | -171.1 | 71.3 | 0 | 0 | 0 | 0 | 109.2 | M300 K304 Q305 K306 | M300-S302 VanDerWaalsContact C-N 3.35Å; M300-S302 PolarHBondContact O-N 3.39Å; S302-K304 PolarHBondContact O-N 2.94Å; S302-Q305 WeakPolarHBondContact O-CB 3.41Å; S302-Q305 PolarHBondContact O-N 3.48Å; S302-Q305 PolarHBondContact OG-N 2.79Å; S302-K306 PolarHBondContact O-N 2.87Å | ||
| 303 | P | 55.5 | Low | 59.3 | Low | 61 Ų | 61 | 98.9 Ų | 98.9 | 40% | 0.396 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -51.4 | -34.8 | 176.3 | -27.7 | 34 | 0 | 0 | 0 | 111.9 | Q305 K306 V307 Y378 | P303-Q305 PolarHBondContact O-N 2.94Å; P303-K306 PolarHBondContact O-N 3.48Å; P303-V307 WeakPolarHBondContact O-CG2 3.42Å; P303-V307 PolarHBondContact O-N 3.17Å; P303-Y378 HydrophobicContact CB-CD2 4.41Å; P303-Y378 HydrophobicContact CG-CD2 3.54Å; P303-Y378 HydrophobicContact CG-CE2 4Å; P303-Y378 HydrophobicContact CG-CG 4.15Å |
| 304 | K | 61.1 | Low | 60.4 | Low | 103 Ų | 103 | 96 Ų | 96 | 45% | 0.448 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -53.7 | -47.3 | 172.9 | -59.8 | -174.9 | 176.2 | -170.1 | 0 | 112.3 | V195 S302 K306 V307 L308 | V195-K304 HydrophobicContact CG2-CB 4.25Å; V195-K304 HydrophobicContact CG2-CD 4.33Å; V195-K304 HydrophobicContact CG2-CG 4.49Å; S302-K304 PolarHBondContact O-N 2.94Å; K304-K306 PolarHBondContact O-N 2.93Å; K304-V307 PolarHBondContact O-N 3.43Å; K304-L308 VanDerWaalsContact O-CG 3.29Å; K304-L308 WeakPolarHBondContact O-CG 3.37Å; K304-L308 PolarHBondContact O-N 2.93Å; K304-L308 VanDerWaalsContact O-N 3.1Å |
| 305 | Q | 65.1 | Low | 61.4 | Low | 51 Ų | 51 | 90.3 Ų | 90.3 | 24% | 0.238 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.4 | -40.8 | -179 | -169.3 | 175.7 | 14.6 | 0 | 0 | 112.7 | Y286 S302 P303 V307 L308 V309 | Y286-Q305 PolarHBondContact OH-NE2 2.95Å; Y286-Q305 VanDerWaalsContact OH-NE2 3.07Å; Y286-Q305 PolarHBondContact OH-OE1 3.02Å; S302-Q305 WeakPolarHBondContact O-CB 3.41Å; S302-Q305 PolarHBondContact O-N 3.48Å; S302-Q305 PolarHBondContact OG-N 2.79Å; P303-Q305 PolarHBondContact O-N 2.94Å; Q305-V307 VanDerWaalsContact C-N 3.33Å; Q305-V307 PolarHBondContact O-N 3Å; Q305-L308 PolarHBondContact O-N 3.06Å; Q305-V309 WeakPolarHBondContact O-CG2 3.44Å; Q305-V309 PolarHBondContact O-N 3.09Å |
| 306 | K | 67.8 | Low | 62.9 | Low | 96 Ų | 96 | 88.8 Ų | 88.8 | 42% | 0.417 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60 | -43.4 | 175.3 | -71.5 | -173.9 | 171.6 | -176.9 | 0 | 111.9 | S302 P303 K304 L308 M310 N374 | S302-K306 PolarHBondContact O-N 2.87Å; P303-K306 PolarHBondContact O-N 3.48Å; K304-K306 PolarHBondContact O-N 2.93Å; K306-L308 VanDerWaalsContact C-N 3.34Å; K306-L308 PolarHBondContact O-N 2.88Å; K306-M310 WeakPolarHBondContact O-CB 3.33Å; K306-M310 PolarHBondContact O-N 3.02Å; K306-N374 WeakPolarHBondContact CD-OD1 3.36Å; K306-N374 WeakPolarHBondContact CE-OD1 3.49Å; K306-N374 PolarHBondContact NZ-OD1 3.24Å |
| 307 | V | 67.3 | Low | 64.8 | Low | 26 Ų | 26 | 84.2 Ų | 84.2 | 16% | 0.158 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 177.9 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | P303 K304 Q305 M310 I311 L371 | P303-V307 WeakPolarHBondContact O-CG2 3.42Å; P303-V307 PolarHBondContact O-N 3.17Å; K304-V307 PolarHBondContact O-N 3.43Å; Q305-V307 VanDerWaalsContact C-N 3.33Å; Q305-V307 PolarHBondContact O-N 3Å; V307-M310 PolarHBondContact O-N 3.44Å; V307-I311 HydrophobicContact CG1-CD1 3.76Å; V307-I311 HydrophobicContact CG1-CG1 4.5Å; V307-I311 WeakPolarHBondContact O-CD1 3.3Å; V307-I311 WeakPolarHBondContact O-CG1 3.22Å; V307-I311 PolarHBondContact O-N 3.41Å; V307-L371 HydrophobicContact CB-CD1 4.27Å; V307-L371 HydrophobicContact CG1-CD1 4Å; V307-L371 HydrophobicContact CG2-CD1 3.56Å |
| 308 | L | 68.6 | Low | 66.5 | Low | 24 Ų | 24 | 74.2 Ų | 74.2 | 13% | 0.126 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69 | -43.6 | -179.2 | -67.4 | 168.4 | 0 | 0 | 0 | 113.3 | V195 Y279 L282 K304 Q305 K306 M310 I311 F312 | V195-L308 HydrophobicContact CG1-CD1 4.38Å; V195-L308 HydrophobicContact CG2-CD1 4.11Å; V195-L308 HydrophobicContact CG2-CD2 4.31Å; V195-L308 HydrophobicContact CG2-CG 4.42Å; Y279-L308 PolarHBondContact OH-O 3.25Å; Y279-L308 VanDerWaalsContact OH-O 3.06Å; L282-L308 HydrophobicContact CD1-CD1 3.95Å; L282-L308 HydrophobicContact CD2-CB 4.39Å; L282-L308 HydrophobicContact CD2-CD1 3.63Å; L282-L308 HydrophobicContact CD2-CD2 3.41Å; L282-L308 VanDerWaalsContact CD2-CD2 3.41Å; L282-L308 HydrophobicContact CD2-CG 3.95Å; L282-L308 HydrophobicContact CG-CD1 4.11Å; K304-L308 VanDerWaalsContact O-CG 3.29Å; K304-L308 WeakPolarHBondContact O-CG 3.37Å; K304-L308 PolarHBondContact O-N 2.93Å; K304-L308 VanDerWaalsContact O-N 3.1Å; Q305-L308 PolarHBondContact O-N 3.06Å; K306-L308 VanDerWaalsContact C-N 3.34Å; K306-L308 PolarHBondContact O-N 2.88Å; L308-M310 VanDerWaalsContact C-N 3.32Å; L308-I311 PolarHBondContact O-N 2.88Å; L308-F312 PolarHBondContact O-N 3.4Å |
| 309 | V | 73.4 | Confident | 68.6 | Low | 87 Ų | 87 | 68.6 Ų | 68.6 | 53% | 0.527 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 174.2 | 171 | 0 | 0 | 0 | 0 | 110.3 | Q305 I311 F312 T313 | Q305-V309 WeakPolarHBondContact O-CG2 3.44Å; Q305-V309 PolarHBondContact O-N 3.09Å; V309-I311 PolarHBondContact O-N 2.8Å; V309-F312 WeakPolarHBondContact O-CB 3.46Å; V309-F312 PolarHBondContact O-N 3.43Å; V309-T313 PolarHBondContact O-N 3.23Å; V309-T313 PolarHBondContact O-OG1 3.46Å; V309-T313 VanDerWaalsContact O-OG1 3.1Å |
| 310 | M | 72.3 | Confident | 70.8 | Confident | 19 Ų | 19 | 62.9 Ų | 62.9 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 177.4 | -175.7 | -157.5 | 79.5 | 0 | 0 | 112.2 | M187 K306 V307 L308 F312 T313 I314 L367 L371 | M187-M310 HydrophobicContact CE-CE 4.05Å; K306-M310 WeakPolarHBondContact O-CB 3.33Å; K306-M310 PolarHBondContact O-N 3.02Å; V307-M310 PolarHBondContact O-N 3.44Å; L308-M310 VanDerWaalsContact C-N 3.32Å; M310-F312 VanDerWaalsContact C-N 3.28Å; M310-F312 PolarHBondContact O-N 3.2Å; M310-T313 WeakPolarHBondContact O-CB 3.17Å; M310-T313 PolarHBondContact O-N 2.85Å; M310-I314 HydrophobicContact CE-CD1 4.31Å; M310-I314 WeakPolarHBondContact O-CG1 3.41Å; M310-I314 PolarHBondContact O-N 3.42Å; M310-L367 HydrophobicContact CG-CB 4.35Å; M310-L367 HydrophobicContact CG-CD2 4.04Å; M310-L371 HydrophobicContact CE-CB 4Å; M310-L371 HydrophobicContact CE-CD1 3.92Å; M310-L371 HydrophobicContact CE-CD2 4.18Å; M310-L371 HydrophobicContact CE-CG 4.25Å; M310-L371 HydrophobicContact SD-CB 3.61Å; M310-L371 HydrophobicContact SD-CD1 4.11Å; M310-L371 HydrophobicContact SD-CG 4.37Å |
| 311 | I | 70.8 | Confident | 72.9 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 175.6 | -64.2 | 160.1 | 0 | 0 | 0 | 110.7 | M187 C188 R191 Y279 V307 L308 V309 T313 I314 V315 | M187-I311 HydrophobicContact CE-CD1 4.17Å; M187-I311 HydrophobicContact CE-CG1 3.67Å; C188-I311 HydrophobicContact CB-CG2 4.26Å; C188-I311 WeakPolarHBondContact SG-CG2 3.48Å; R191-I311 HydrophobicContact CB-CD1 3.5Å; R191-I311 VanDerWaalsContact CB-CD1 3.5Å; R191-I311 HydrophobicContact CG-CD1 3.48Å; R191-I311 VanDerWaalsContact CG-CD1 3.48Å; Y279-I311 VanDerWaalsContact OH-C 3.25Å; Y279-I311 WeakPolarHBondContact OH-CB 3.43Å; Y279-I311 WeakPolarHBondContact OH-CG2 3.4Å; V307-I311 HydrophobicContact CG1-CD1 3.76Å; V307-I311 HydrophobicContact CG1-CG1 4.5Å; V307-I311 WeakPolarHBondContact O-CD1 3.3Å; V307-I311 WeakPolarHBondContact O-CG1 3.22Å; V307-I311 PolarHBondContact O-N 3.41Å; L308-I311 PolarHBondContact O-N 2.88Å; V309-I311 PolarHBondContact O-N 2.8Å; I311-T313 VanDerWaalsContact C-N 3.3Å; I311-T313 PolarHBondContact O-N 2.89Å; I311-I314 PolarHBondContact O-N 2.88Å; I311-I314 VanDerWaalsContact O-N 3.11Å; I311-V315 VanDerWaalsContact O-CG2 3.29Å; I311-V315 WeakPolarHBondContact O-CG2 3.34Å; I311-V315 PolarHBondContact O-N 3.14Å |
| 312 | F | 76 | Confident | 74.6 | Confident | 93 Ų | 93 | 46.1 Ų | 46.1 | 41% | 0.408 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.1 | -38.9 | 177.8 | -179.6 | -107.4 | 0 | 0 | 0 | 110.8 | Y279 L308 V309 M310 V315 L316 | Y279-F312 HydrophobicContact CD1-CD2 4.32Å; Y279-F312 HydrophobicContact CD2-CD2 4.06Å; Y279-F312 HydrophobicContact CE1-CB 3.89Å; Y279-F312 HydrophobicContact CE1-CD2 4.3Å; Y279-F312 HydrophobicContact CE1-CG 4.5Å; Y279-F312 HydrophobicContact CE2-CB 4.27Å; Y279-F312 HydrophobicContact CE2-CD2 4.04Å; Y279-F312 HydrophobicContact CG-CD2 4.23Å; Y279-F312 WeakPolarHBondContact OH-CA 3.23Å; Y279-F312 PolarHBondContact OH-N 3.06Å; L308-F312 PolarHBondContact O-N 3.4Å; V309-F312 WeakPolarHBondContact O-CB 3.46Å; V309-F312 PolarHBondContact O-N 3.43Å; M310-F312 VanDerWaalsContact C-N 3.28Å; M310-F312 PolarHBondContact O-N 3.2Å; F312-V315 PolarHBondContact O-N 2.88Å; F312-L316 HydrophobicContact CD1-CD1 3.94Å; F312-L316 HydrophobicContact CD1-CG 4.37Å; F312-L316 HydrophobicContact CE1-CD1 3.41Å; F312-L316 VanDerWaalsContact CE1-CD1 3.41Å; F312-L316 HydrophobicContact CE1-CG 4.03Å; F312-L316 HydrophobicContact CE2-CD2 4.49Å; F312-L316 HydrophobicContact CE2-CG 4.41Å; F312-L316 HydrophobicContact CZ-CD1 3.81Å; F312-L316 HydrophobicContact CZ-CD2 4.15Å; F312-L316 HydrophobicContact CZ-CG 4.04Å; F312-L316 WeakPolarHBondContact O-CG 2.84Å; F312-L316 PolarHBondContact O-N 3.44Å |
| 313 | T | 80.2 | Confident | 76.1 | Confident | 59 Ų | 59 | 46.7 Ų | 46.7 | 36% | 0.362 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 170.4 | -52.9 | 0 | 0 | 0 | 0 | 112.4 | V309 M310 I311 V315 L316 V317 L367 | V309-T313 PolarHBondContact O-N 3.23Å; V309-T313 PolarHBondContact O-OG1 3.46Å; V309-T313 VanDerWaalsContact O-OG1 3.1Å; M310-T313 WeakPolarHBondContact O-CB 3.17Å; M310-T313 PolarHBondContact O-N 2.85Å; I311-T313 VanDerWaalsContact C-N 3.3Å; I311-T313 PolarHBondContact O-N 2.89Å; T313-V315 VanDerWaalsContact C-N 3.26Å; T313-V315 PolarHBondContact O-N 3.18Å; T313-L316 PolarHBondContact O-N 2.99Å; T313-V317 HydrophobicContact CG2-CG2 4.41Å; T313-V317 WeakPolarHBondContact O-CB 3.23Å; T313-V317 VanDerWaalsContact O-CG2 3.3Å; T313-V317 WeakPolarHBondContact O-CG2 2.92Å; T313-V317 PolarHBondContact O-N 3.26Å; T313-L367 HydrophobicContact CG2-CD2 4.18Å |
| 314 | I | 77.4 | Confident | 77.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.7 | -41.4 | 177.1 | -37.5 | -160.2 | 0 | 0 | 0 | 110.4 | L184 M187 M310 I311 V317 F318 L367 Y368 | L184-I314 HydrophobicContact CD1-CB 4.06Å; L184-I314 HydrophobicContact CD1-CD1 4.49Å; L184-I314 HydrophobicContact CD1-CG2 3.69Å; L184-I314 HydrophobicContact CD2-CG2 3.98Å; M187-I314 HydrophobicContact CE-CD1 4.34Å; M310-I314 HydrophobicContact CE-CD1 4.31Å; M310-I314 WeakPolarHBondContact O-CG1 3.41Å; M310-I314 PolarHBondContact O-N 3.42Å; I311-I314 PolarHBondContact O-N 2.88Å; I311-I314 VanDerWaalsContact O-N 3.11Å; I314-V317 PolarHBondContact O-N 3.26Å; I314-F318 VanDerWaalsContact O-CB 3.31Å; I314-F318 WeakPolarHBondContact O-CB 3.21Å; I314-F318 PolarHBondContact O-N 2.69Å; I314-L367 HydrophobicContact CB-CD1 4.09Å; I314-L367 HydrophobicContact CD1-CB 3.93Å; I314-L367 HydrophobicContact CD1-CD1 3.95Å; I314-L367 HydrophobicContact CD1-CG 4.43Å; I314-L367 HydrophobicContact CG1-CB 4.25Å; I314-L367 HydrophobicContact CG1-CD1 3.61Å; I314-L367 HydrophobicContact CG1-CD2 4.23Å; I314-L367 HydrophobicContact CG1-CG 4.24Å; I314-L367 HydrophobicContact CG2-CD1 4Å; I314-Y368 HydrophobicContact CD1-CE1 4.41Å |
| 315 | V | 75.9 | Confident | 78.7 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 5% | 0.048 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.7 | -47.4 | 179.7 | 174.9 | 0 | 0 | 0 | 0 | 111 | I275 I311 F312 T313 V317 F318 W319 | I275-V315 HydrophobicContact CD1-CG2 4.16Å; I275-V315 HydrophobicContact CG2-CB 4.25Å; I275-V315 HydrophobicContact CG2-CG1 3.69Å; I275-V315 HydrophobicContact CG2-CG2 3.69Å; I311-V315 VanDerWaalsContact O-CG2 3.29Å; I311-V315 WeakPolarHBondContact O-CG2 3.34Å; I311-V315 PolarHBondContact O-N 3.14Å; F312-V315 PolarHBondContact O-N 2.88Å; T313-V315 VanDerWaalsContact C-N 3.26Å; T313-V315 PolarHBondContact O-N 3.18Å; V315-V317 VanDerWaalsContact C-N 3.31Å; V315-V317 PolarHBondContact O-N 3.24Å; V315-F318 WeakPolarHBondContact O-CB 3.25Å; V315-F318 PolarHBondContact O-N 3.4Å; V315-W319 PolarHBondContact O-N 3.37Å |
| 316 | L | 83.8 | Confident | 79.6 | Confident | 96 Ų | 96 | 39.9 Ų | 39.9 | 50% | 0.503 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.3 | -41.6 | 176.4 | -72.9 | -177.8 | 0 | 0 | 0 | 112 | F312 T313 W319 A320 | F312-L316 HydrophobicContact CD1-CD1 3.94Å; F312-L316 HydrophobicContact CD1-CG 4.37Å; F312-L316 HydrophobicContact CE1-CD1 3.41Å; F312-L316 VanDerWaalsContact CE1-CD1 3.41Å; F312-L316 HydrophobicContact CE1-CG 4.03Å; F312-L316 HydrophobicContact CE2-CD2 4.49Å; F312-L316 HydrophobicContact CE2-CG 4.41Å; F312-L316 HydrophobicContact CZ-CD1 3.81Å; F312-L316 HydrophobicContact CZ-CD2 4.15Å; F312-L316 HydrophobicContact CZ-CG 4.04Å; F312-L316 WeakPolarHBondContact O-CG 2.84Å; F312-L316 PolarHBondContact O-N 3.44Å; T313-L316 PolarHBondContact O-N 2.99Å; L316-W319 PolarHBondContact O-N 3.13Å; L316-A320 VanDerWaalsContact O-CB 3.29Å; L316-A320 WeakPolarHBondContact O-CB 3.47Å; L316-A320 PolarHBondContact O-N 2.98Å |
| 317 | V | 86 | Confident | 80.4 | Confident | 31 Ų | 31 | 39.4 Ų | 39.4 | 19% | 0.188 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.1 | -47.1 | 173.8 | 166.7 | 0 | 0 | 0 | 0 | 110.9 | T313 I314 V315 W319 A320 C321 I363 | T313-V317 HydrophobicContact CG2-CG2 4.41Å; T313-V317 WeakPolarHBondContact O-CB 3.23Å; T313-V317 VanDerWaalsContact O-CG2 3.3Å; T313-V317 WeakPolarHBondContact O-CG2 2.92Å; T313-V317 PolarHBondContact O-N 3.26Å; I314-V317 PolarHBondContact O-N 3.26Å; V315-V317 VanDerWaalsContact C-N 3.31Å; V315-V317 PolarHBondContact O-N 3.24Å; V317-W319 PolarHBondContact O-N 3.12Å; V317-A320 PolarHBondContact O-N 3.06Å; V317-C321 WeakPolarHBondContact O-CB 2.91Å; V317-C321 PolarHBondContact O-N 2.82Å; V317-C321 PolarHBondContact O-SG 3.3Å; V317-I363 HydrophobicContact CG1-CB 4.19Å; V317-I363 HydrophobicContact CG1-CD1 3.49Å; V317-I363 VanDerWaalsContact CG1-CD1 3.49Å; V317-I363 HydrophobicContact CG1-CG1 4.43Å; V317-I363 HydrophobicContact CG1-CG2 3.9Å; V317-I363 HydrophobicContact CG2-CG2 4.36Å |
| 318 | F | 84.2 | Confident | 81 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.9 | -49.4 | 178 | 167.7 | -99.9 | 0 | 0 | 0 | 111.8 | I181 L184 I268 I314 V315 C321 F322 N360 | I181-F318 HydrophobicContact CB-CZ 4.46Å; I181-F318 HydrophobicContact CD1-CE2 3.78Å; I181-F318 HydrophobicContact CD1-CZ 3.67Å; I181-F318 HydrophobicContact CG1-CD2 4.39Å; I181-F318 HydrophobicContact CG1-CE2 3.37Å; I181-F318 HydrophobicContact CG1-CZ 3.51Å; I181-F318 HydrophobicContact CG2-CZ 4.24Å; L184-F318 HydrophobicContact CD2-CB 4.05Å; L184-F318 HydrophobicContact CD2-CG 4.28Å; I268-F318 HydrophobicContact CD1-CE1 4.03Å; I268-F318 HydrophobicContact CD1-CZ 3.74Å; I314-F318 VanDerWaalsContact O-CB 3.31Å; I314-F318 WeakPolarHBondContact O-CB 3.21Å; I314-F318 PolarHBondContact O-N 2.69Å; V315-F318 WeakPolarHBondContact O-CB 3.25Å; V315-F318 PolarHBondContact O-N 3.4Å; F318-C321 PolarHBondContact O-N 2.93Å; F318-F322 AromaticContact CD2-CD2 3.28Å; F318-F322 HydrophobicContact CD2-CD2 3.28Å; F318-F322 AromaticContact CD2-CE2 3.64Å; F318-F322 HydrophobicContact CD2-CE2 3.64Å; F318-F322 HydrophobicContact CD2-CG 4.2Å; F318-F322 HydrophobicContact CE2-CB 4.03Å; F318-F322 HydrophobicContact CE2-CD1 4.45Å; F318-F322 AromaticContact CE2-CD2 3.08Å; F318-F322 HydrophobicContact CE2-CD2 3.08Å; F318-F322 AromaticContact CE2-CE2 3.54Å; F318-F322 HydrophobicContact CE2-CE2 3.54Å; F318-F322 AromaticContact CE2-CG 3.6Å; F318-F322 HydrophobicContact CE2-CG 3.6Å; F318-F322 HydrophobicContact CE2-CZ 4.41Å; F318-F322 HydrophobicContact CG-CD2 4.3Å; F318-F322 HydrophobicContact CZ-CB 4.14Å; F318-F322 HydrophobicContact CZ-CD2 4.04Å; F318-F322 HydrophobicContact CZ-CG 4.16Å; F318-F322 WeakPolarHBondContact O-CD2 3.27Å; F318-F322 PolarHBondContact O-N 3.33Å; F318-N360 WeakPolarHBondContact CA-OD1 3.19Å |
| 319 | W | 85.6 | Confident | 81.4 | Confident | 89 Ų | 89 | 39.8 Ų | 39.8 | 34% | 0.337 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 176.4 | -80.8 | 71.4 | 0 | 0 | 0 | 111.5 | I268 V315 L316 V317 C321 F322 L323 | I268-W319 HydrophobicContact CG2-CE3 4.48Å; I268-W319 HydrophobicContact CG2-CZ3 4.45Å; V315-W319 PolarHBondContact O-N 3.37Å; L316-W319 PolarHBondContact O-N 3.13Å; V317-W319 PolarHBondContact O-N 3.12Å; W319-C321 PolarHBondContact O-N 2.8Å; W319-F322 PolarHBondContact O-N 2.93Å; W319-L323 HydrophobicContact CE3-CD1 3.68Å; W319-L323 HydrophobicContact CZ3-CD1 3.98Å; W319-L323 WeakPolarHBondContact O-CB 2.84Å; W319-L323 PolarHBondContact O-N 3.13Å |
| 320 | A | 88.1 | Confident | 81.5 | Confident | 61 Ų | 61 | 36.6 Ų | 36.6 | 50% | 0.504 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.5 | -33.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L316 V317 P324 L356 | L316-A320 VanDerWaalsContact O-CB 3.29Å; L316-A320 WeakPolarHBondContact O-CB 3.47Å; L316-A320 PolarHBondContact O-N 2.98Å; V317-A320 PolarHBondContact O-N 3.06Å; A320-P324 WeakPolarHBondContact O-CD 2.97Å; A320-P324 WeakPolarHBondContact O-CG 3Å; A320-L356 VanDerWaalsContact O-CD2 3.25Å; A320-L356 WeakPolarHBondContact O-CD2 2.83Å |
| 321 | C | 87.1 | Confident | 81.8 | Confident | 7 Ų | 7 | 39.6 Ų | 39.6 | 5% | 0.047 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -80.2 | -42.6 | -179.4 | -67.4 | 0 | 0 | 0 | 0 | 114.1 | V317 F318 W319 L356 N360 | V317-C321 WeakPolarHBondContact O-CB 2.91Å; V317-C321 PolarHBondContact O-N 2.82Å; V317-C321 PolarHBondContact O-SG 3.3Å; F318-C321 PolarHBondContact O-N 2.93Å; W319-C321 PolarHBondContact O-N 2.8Å; C321-L356 HydrophobicContact CB-CG 4.39Å; C321-L356 WeakPolarHBondContact CB-O 3.05Å; C321-N360 HydrophobicContact CB-CB 3.98Å |
| 322 | F | 85.2 | Confident | 81.8 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -97.5 | -30.5 | -171.8 | -77.1 | -85 | 0 | 0 | 0 | 114.6 | M177 I268 F318 W319 F325 W326 T357 N360 | M177-F322 HydrophobicContact CG-CD1 4.26Å; M177-F322 HydrophobicContact CG-CE1 3.48Å; M177-F322 VanDerWaalsContact CG-CE1 3.48Å; M177-F322 HydrophobicContact CG-CZ 3.97Å; M177-F322 HydrophobicContact SD-CD1 4.08Å; M177-F322 HydrophobicContact SD-CE1 3.73Å; I268-F322 HydrophobicContact CD1-CB 3.81Å; F318-F322 AromaticContact CD2-CD2 3.28Å; F318-F322 HydrophobicContact CD2-CD2 3.28Å; F318-F322 AromaticContact CD2-CE2 3.64Å; F318-F322 HydrophobicContact CD2-CE2 3.64Å; F318-F322 HydrophobicContact CD2-CG 4.2Å; F318-F322 HydrophobicContact CE2-CB 4.03Å; F318-F322 HydrophobicContact CE2-CD1 4.45Å; F318-F322 AromaticContact CE2-CD2 3.08Å; F318-F322 HydrophobicContact CE2-CD2 3.08Å; F318-F322 AromaticContact CE2-CE2 3.54Å; F318-F322 HydrophobicContact CE2-CE2 3.54Å; F318-F322 AromaticContact CE2-CG 3.6Å; F318-F322 HydrophobicContact CE2-CG 3.6Å; F318-F322 HydrophobicContact CE2-CZ 4.41Å; F318-F322 HydrophobicContact CG-CD2 4.3Å; F318-F322 HydrophobicContact CZ-CB 4.14Å; F318-F322 HydrophobicContact CZ-CD2 4.04Å; F318-F322 HydrophobicContact CZ-CG 4.16Å; F318-F322 WeakPolarHBondContact O-CD2 3.27Å; F318-F322 PolarHBondContact O-N 3.33Å; W319-F322 PolarHBondContact O-N 2.93Å; F322-F325 WeakPolarHBondContact O-CB 3.2Å; F322-F325 PolarHBondContact O-N 2.98Å; F322-W326 VanDerWaalsContact O-CD1 3.22Å; F322-W326 PolarHBondContact O-N 3.28Å; F322-T357 HydrophobicContact CD1-CG2 3.52Å; F322-T357 HydrophobicContact CE1-CG2 3.57Å; F322-T357 HydrophobicContact CG-CG2 4.22Å; F322-T357 HydrophobicContact CZ-CG2 4.34Å; F322-N360 HydrophobicContact CD2-CB 4.43Å; F322-N360 HydrophobicContact CE2-CB 3.65Å; F322-N360 HydrophobicContact CZ-CB 4.4Å |
| 323 | L | 87.9 | Confident | 81.5 | Confident | 58 Ų | 58 | 39.5 Ų | 39.5 | 30% | 0.304 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.8 | -40.6 | -178.6 | -178.7 | 142.2 | 0 | 0 | 0 | 113 | W319 F325 W326 I327 | W319-L323 HydrophobicContact CE3-CD1 3.68Å; W319-L323 HydrophobicContact CZ3-CD1 3.98Å; W319-L323 WeakPolarHBondContact O-CB 2.84Å; W319-L323 PolarHBondContact O-N 3.13Å; L323-F325 VanDerWaalsContact C-N 3.35Å; L323-F325 PolarHBondContact O-N 3.42Å; L323-W326 PolarHBondContact O-N 2.86Å; L323-I327 HydrophobicContact CD2-CD1 3.42Å; L323-I327 VanDerWaalsContact CD2-CD1 3.42Å; L323-I327 HydrophobicContact CD2-CG1 4.33Å; L323-I327 HydrophobicContact CG-CD1 3.85Å; L323-I327 HydrophobicContact CG-CG1 4.33Å; L323-I327 WeakPolarHBondContact O-CB 3.35Å; L323-I327 WeakPolarHBondContact O-CG1 3.36Å; L323-I327 PolarHBondContact O-N 2Å |
| 324 | P | 87 | Confident | 81.3 | Confident | 47 Ų | 47 | 42.8 Ų | 42.8 | 31% | 0.305 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.2 | -41 | 174.7 | -25.4 | 36.9 | 0 | 0 | 0 | 113 | A320 W328 V353 L356 | A320-P324 WeakPolarHBondContact O-CD 2.97Å; A320-P324 WeakPolarHBondContact O-CG 3Å; P324-W328 VanDerWaalsContact O-CB 3.24Å; P324-W328 WeakPolarHBondContact O-CB 3.21Å; P324-W328 PolarHBondContact O-N 3.36Å; P324-V353 HydrophobicContact CB-CG1 4.13Å; P324-L356 HydrophobicContact CB-CD2 4.27Å; P324-L356 HydrophobicContact CG-CD2 3.88Å |
| 325 | F | 83.2 | Confident | 81.2 | Confident | 22 Ų | 22 | 47 Ų | 47 | 10% | 0.096 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.1 | -53.7 | 175.1 | 174.5 | -92.1 | 0 | 0 | 0 | 111.1 | F322 L323 I327 W328 Q329 V353 T357 | F322-F325 WeakPolarHBondContact O-CB 3.2Å; F322-F325 PolarHBondContact O-N 2.98Å; L323-F325 VanDerWaalsContact C-N 3.35Å; L323-F325 PolarHBondContact O-N 3.42Å; F325-I327 PolarHBondContact O-N 3Å; F325-W328 PolarHBondContact O-N 3.16Å; F325-W328 VanDerWaalsContact O-N 3.17Å; F325-Q329 HydrophobicContact CD1-CG 4.27Å; F325-Q329 HydrophobicContact CD2-CG 4.49Å; F325-Q329 HydrophobicContact CE1-CG 3.92Å; F325-Q329 HydrophobicContact CE2-CG 4.16Å; F325-Q329 HydrophobicContact CZ-CG 3.85Å; F325-Q329 WeakPolarHBondContact O-CG 3.49Å; F325-Q329 PolarHBondContact O-N 3.47Å; F325-V353 HydrophobicContact CB-CB 4.13Å; F325-V353 HydrophobicContact CB-CG2 4.47Å; F325-V353 HydrophobicContact CD2-CB 4.44Å; F325-V353 HydrophobicContact CD2-CG2 3.98Å; F325-T357 HydrophobicContact CB-CG2 3.68Å; F325-T357 HydrophobicContact CD1-CG2 4.38Å; F325-T357 HydrophobicContact CD2-CG2 4.17Å; F325-T357 HydrophobicContact CG-CG2 3.84Å |
| 326 | W | 83.3 | Confident | 80.4 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 1% | 0.011 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | -177.7 | -78.9 | 104 | 0 | 0 | 0 | 113.5 | M177 L260 L263 F264 I268 F322 L323 W328 Q329 L330 | M177-W326 HydrophobicContact CE-CZ2 3.76Å; M177-W326 HydrophobicContact SD-CZ2 4.24Å; L260-W326 HydrophobicContact CD2-CZ3 4.15Å; L263-W326 HydrophobicContact CB-CH2 3.49Å; L263-W326 VanDerWaalsContact CB-CH2 3.49Å; L263-W326 HydrophobicContact CB-CZ2 4.45Å; L263-W326 HydrophobicContact CB-CZ3 3.85Å; L263-W326 HydrophobicContact CD1-CH2 3.98Å; L263-W326 HydrophobicContact CG-CH2 4.43Å; F264-W326 HydrophobicContact CB-CD2 4.44Å; F264-W326 HydrophobicContact CB-CE3 3.89Å; F264-W326 HydrophobicContact CB-CZ3 4.32Å; F264-W326 HydrophobicContact CD2-CB 3.6Å; F264-W326 HydrophobicContact CD2-CD2 4.18Å; F264-W326 HydrophobicContact CD2-CE3 4.33Å; F264-W326 AromaticContact CD2-CG 3.88Å; F264-W326 HydrophobicContact CD2-CG 3.88Å; F264-W326 HydrophobicContact CE2-CB 3.92Å; I268-W326 VanDerWaalsContact CD1-CD1 3.47Å; I268-W326 HydrophobicContact CD1-CG 4.38Å; I268-W326 HydrophobicContact CG1-CB 4.45Å; I268-W326 HydrophobicContact CG1-CD2 4.45Å; I268-W326 HydrophobicContact CG1-CG 3.85Å; F322-W326 VanDerWaalsContact O-CD1 3.22Å; F322-W326 PolarHBondContact O-N 3.28Å; L323-W326 PolarHBondContact O-N 2.86Å; W326-W328 VanDerWaalsContact C-N 3.33Å; W326-W328 PolarHBondContact O-N 2.72Å; W326-Q329 PolarHBondContact O-N 2.85Å; W326-L330 WeakPolarHBondContact O-CB 2.96Å; W326-L330 VanDerWaalsContact O-CG 3.3Å; W326-L330 WeakPolarHBondContact O-CG 3.2Å; W326-L330 PolarHBondContact O-N 3.16Å |
| 327 | I | 84.6 | Confident | 79.3 | Confident | 87 Ų | 87 | 57 Ų | 57 | 45% | 0.446 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 174.5 | -70.9 | 178.9 | 0 | 0 | 0 | 110.2 | L323 F325 Q329 L330 F331 | L323-I327 HydrophobicContact CD2-CD1 3.42Å; L323-I327 VanDerWaalsContact CD2-CD1 3.42Å; L323-I327 HydrophobicContact CD2-CG1 4.33Å; L323-I327 HydrophobicContact CG-CD1 3.85Å; L323-I327 HydrophobicContact CG-CG1 4.33Å; L323-I327 WeakPolarHBondContact O-CB 3.35Å; L323-I327 WeakPolarHBondContact O-CG1 3.36Å; L323-I327 PolarHBondContact O-N 2Å; F325-I327 PolarHBondContact O-N 3Å; I327-Q329 VanDerWaalsContact C-N 3.35Å; I327-Q329 PolarHBondContact O-N 3.47Å; I327-L330 PolarHBondContact O-N 3Å; I327-F331 VanDerWaalsContact O-CB 3.26Å; I327-F331 WeakPolarHBondContact O-CB 2.74Å; I327-F331 PolarHBondContact O-N 2.96Å |
| 328 | W | 81.6 | Confident | 78 | Confident | 42 Ų | 42 | 60.6 Ų | 60.6 | 16% | 0.159 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.2 | -37.6 | 179.3 | -178 | -107.5 | 0 | 0 | 0 | 113.1 | P324 F325 W326 P332 L341 R346 I349 N350 V353 | P324-W328 VanDerWaalsContact O-CB 3.24Å; P324-W328 WeakPolarHBondContact O-CB 3.21Å; P324-W328 PolarHBondContact O-N 3.36Å; F325-W328 PolarHBondContact O-N 3.16Å; F325-W328 VanDerWaalsContact O-N 3.17Å; W326-W328 VanDerWaalsContact C-N 3.33Å; W326-W328 PolarHBondContact O-N 2.72Å; W328-P332 WeakPolarHBondContact O-CD 3.03Å; W328-L341 HydrophobicContact CH2-CD2 4.42Å; W328-R346 HydrophobicContact CH2-CG 4.41Å; W328-R346 HydrophobicContact CZ2-CG 3.94Å; W328-I349 HydrophobicContact CD2-CG2 3.61Å; W328-I349 HydrophobicContact CE3-CG2 3.74Å; W328-I349 HydrophobicContact CG-CG2 4.27Å; W328-I349 HydrophobicContact CH2-CB 4Å; W328-I349 HydrophobicContact CH2-CD1 3.7Å; W328-I349 HydrophobicContact CH2-CG1 4.47Å; W328-I349 HydrophobicContact CH2-CG2 3.75Å; W328-I349 HydrophobicContact CZ2-CB 3.84Å; W328-I349 HydrophobicContact CZ2-CD1 4.39Å; W328-I349 HydrophobicContact CZ2-CG2 3.63Å; W328-I349 HydrophobicContact CZ3-CD1 4.04Å; W328-I349 HydrophobicContact CZ3-CG2 3.81Å; W328-N350 PolarHBondContact NE1-OD1 3.08Å; W328-V353 HydrophobicContact CB-CG1 4.47Å; W328-V353 HydrophobicContact CG-CG2 4.48Å |
| 329 | Q | 75.9 | Confident | 76.8 | Confident | 15 Ų | 15 | 63.6 Ų | 63.6 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.9 | -35.3 | 175.3 | -59.2 | -53 | -8.8 | 0 | 0 | 113.4 | F325 W326 I327 | F325-Q329 HydrophobicContact CD1-CG 4.27Å; F325-Q329 HydrophobicContact CD2-CG 4.49Å; F325-Q329 HydrophobicContact CE1-CG 3.92Å; F325-Q329 HydrophobicContact CE2-CG 4.16Å; F325-Q329 HydrophobicContact CZ-CG 3.85Å; F325-Q329 WeakPolarHBondContact O-CG 3.49Å; F325-Q329 PolarHBondContact O-N 3.47Å; W326-Q329 PolarHBondContact O-N 2.85Å; I327-Q329 VanDerWaalsContact C-N 3.35Å; I327-Q329 PolarHBondContact O-N 3.47Å |
| 330 | L | 75.3 | Confident | 75.7 | Confident | 21 Ų | 21 | 65.3 Ų | 65.3 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -78.4 | -35.7 | 179.3 | -69.7 | 174.9 | 0 | 0 | 0 | 113.2 | L260 F264 W326 I327 L333 Y334 | L260-L330 HydrophobicContact CB-CD2 4.09Å; F264-L330 HydrophobicContact CB-CD1 3.79Å; F264-L330 HydrophobicContact CD1-CD1 3.68Å; F264-L330 HydrophobicContact CD2-CD1 3.96Å; F264-L330 HydrophobicContact CE1-CD1 4.22Å; F264-L330 HydrophobicContact CE2-CD1 4.45Å; F264-L330 HydrophobicContact CG-CD1 3.53Å; W326-L330 WeakPolarHBondContact O-CB 2.96Å; W326-L330 VanDerWaalsContact O-CG 3.3Å; W326-L330 WeakPolarHBondContact O-CG 3.2Å; W326-L330 PolarHBondContact O-N 3.16Å; I327-L330 PolarHBondContact O-N 3Å; L330-L333 HydrophobicContact CD2-CD1 4.28Å; L330-L333 WeakPolarHBondContact O-CB 3.3Å; L330-L333 PolarHBondContact O-N 2.59Å; L330-Y334 HydrophobicContact CD2-CE2 4.42Å; L330-Y334 WeakPolarHBondContact O-CD2 3.41Å; L330-Y334 PolarHBondContact O-N 2.98Å |
| 331 | F | 79.3 | Confident | 74.6 | Confident | 81 Ų | 81 | 65.3 Ų | 65.3 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -46.5 | -52.4 | -176.6 | -176.4 | -91.7 | 0 | 0 | 0 | 114.3 | I327 L333 Y334 H335 L339 | I327-F331 VanDerWaalsContact O-CB 3.26Å; I327-F331 WeakPolarHBondContact O-CB 2.74Å; I327-F331 PolarHBondContact O-N 2.96Å; F331-L333 PolarHBondContact O-N 2.71Å; F331-Y334 PolarHBondContact O-N 2.88Å; F331-H335 HydrophobicContact CE1-CB 4.24Å; F331-H335 HydrophobicContact CZ-CB 4.29Å; F331-H335 WeakPolarHBondContact O-CB 3.29Å; F331-H335 PolarHBondContact O-N 2.8Å; F331-L339 HydrophobicContact CE1-CB 4.44Å; F331-L339 HydrophobicContact CE1-CD1 4.43Å; F331-L339 HydrophobicContact CE1-CD2 4.16Å; F331-L339 HydrophobicContact CZ-CD1 4.44Å |
| 332 | P | 70 | Confident | 73.8 | Confident | 54 Ų | 54 | 67.9 Ų | 67.9 | 35% | 0.351 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.9 | -15.1 | 179.9 | 29.1 | -37 | 0 | 0 | 0 | 114.6 | W328 | W328-P332 WeakPolarHBondContact O-CD 3.03Å |
| 333 | L | 70.5 | Confident | 72.9 | Confident | 39 Ų | 39 | 71.5 Ų | 71.5 | 20% | 0.204 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -84.7 | -19.7 | 178.3 | -53.5 | 170.5 | 0 | 0 | 0 | 112.2 | Y256 K257 L260 L330 F331 | Y256-L333 HydrophobicContact CD1-CD2 4.09Å; Y256-L333 HydrophobicContact CE1-CD2 4.2Å; K257-L333 HydrophobicContact CD-CB 4.31Å; K257-L333 WeakPolarHBondContact CD-O 3.4Å; K257-L333 VanDerWaalsContact CE-O 3.22Å; K257-L333 WeakPolarHBondContact CE-O 3.29Å; K257-L333 HydrophobicContact CG-CB 4.15Å; K257-L333 PolarHBondContact NZ-O 2.83Å; L260-L333 HydrophobicContact CB-CD1 4.16Å; L260-L333 HydrophobicContact CD1-CD1 3.49Å; L260-L333 VanDerWaalsContact CD1-CD1 3.49Å; L260-L333 HydrophobicContact CG-CD1 4.45Å; L330-L333 HydrophobicContact CD2-CD1 4.28Å; L330-L333 WeakPolarHBondContact O-CB 3.3Å; L330-L333 PolarHBondContact O-N 2.59Å; F331-L333 PolarHBondContact O-N 2.71Å |
| 334 | Y | 76.1 | Confident | 71.8 | Confident | 128 Ų | 128 | 71 Ų | 71 | 50% | 0.502 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -110.8 | -17.5 | -179.3 | -74.8 | -91.3 | 0 | 0 | 0 | 113.1 | K257 T261 L330 F331 | K257-Y334 HydrophobicContact CG-CE2 4.28Å; T261-Y334 WeakPolarHBondContact CG2-OH 3.29Å; T261-Y334 PolarHBondContact OG1-OH 3.33Å; L330-Y334 HydrophobicContact CD2-CE2 4.42Å; L330-Y334 WeakPolarHBondContact O-CD2 3.41Å; L330-Y334 PolarHBondContact O-N 2.98Å; F331-Y334 PolarHBondContact O-N 2.88Å |
| 335 | H | 73.9 | Confident | 71 | Confident | 87 Ų | 87 | 72.1 Ų | 72.1 | 40% | 0.403 | 39% | 0.392 | S | S | . | . | trans | -105.5 | 106.8 | 176.7 | -153.8 | 71.4 | 0 | 0 | 0 | 111.9 | F331 K337 | F331-H335 HydrophobicContact CE1-CB 4.24Å; F331-H335 HydrophobicContact CZ-CB 4.29Å; F331-H335 WeakPolarHBondContact O-CB 3.29Å; F331-H335 PolarHBondContact O-N 2.8Å; H335-K337 PolarHBondContact CD2-O 3.2Å; H335-K337 PolarHBondContact O-N 2.97Å | ||
| 336 | N | 60.1 | Low | 70.1 | Confident | 158 Ų | 158 | 72 Ų | 72 | 85% | 0.845 | 39% | 0.39 | S | S | * | . | trans | -71 | -13.1 | -174.7 | -62.2 | -17.8 | 0 | 0 | 0 | 114.3 | ||||
| 337 | K | 60.2 | Low | 69.3 | Low | 158 Ų | 158 | 72.6 Ų | 72.6 | 69% | 0.687 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -89.7 | 125.8 | 174.7 | -65.6 | -174.2 | 177.8 | -176.2 | 0 | 109.3 | H335 L339 | H335-K337 PolarHBondContact CD2-O 3.2Å; H335-K337 PolarHBondContact O-N 2.97Å; K337-L339 PolarHBondContact O-N 2.94Å; K337-L339 VanDerWaalsContact O-N 3.07Å |
| 338 | P | 59.1 | Low | 68.6 | Low | 106 Ų | 106 | 71 Ų | 71 | 69% | 0.688 | 39% | 0.391 | S | S | * | . | trans | -64.5 | 115 | 172.1 | 27 | -32.5 | 0 | 0 | 0 | 108.6 | S340 | P338-S340 PolarHBondContact O-N 3Š| ||
| 339 | L | 60 | Low | 68.1 | Low | 69 Ų | 69 | 71.3 Ų | 71.3 | 36% | 0.361 | 40% | 0.395 | S | S | . | . | trans | -60.8 | 112.8 | 174.3 | -157.5 | 74.8 | 0 | 0 | 0 | 108 | R54 F331 K337 L341 | R54-L339 PolarHBondContact NH2-O 3.01Å; F331-L339 HydrophobicContact CE1-CB 4.44Å; F331-L339 HydrophobicContact CE1-CD1 4.43Å; F331-L339 HydrophobicContact CE1-CD2 4.16Å; F331-L339 HydrophobicContact CZ-CD1 4.44Å; K337-L339 PolarHBondContact O-N 2.94Å; K337-L339 VanDerWaalsContact O-N 3.07Å; L339-L341 HydrophobicContact CD2-CD1 3.96Å; L339-L341 HydrophobicContact CG-CD1 4.17Å; L339-L341 PolarHBondContact O-N 3.41Å | ||
| 340 | S | 61 | Low | 67.9 | Low | 124 Ų | 124 | 70.7 Ų | 70.7 | 87% | 0.867 | 39% | 0.392 | S | S | * | . | trans | -76.9 | 54.2 | -172.9 | 60.9 | 0 | 0 | 0 | 0 | 112.3 | P338 | P338-S340 PolarHBondContact O-N 3Š| ||
| 341 | L | 65.4 | Low | 67.7 | Low | 62 Ų | 62 | 70.8 Ų | 70.8 | 33% | 0.325 | 39% | 0.391 | S | S | . | . | trans | -77.7 | 143.1 | 169.4 | -111.8 | 64.6 | 0 | 0 | 0 | 109.6 | W328 L339 T345 I349 | W328-L341 HydrophobicContact CH2-CD2 4.42Å; L339-L341 HydrophobicContact CD2-CD1 3.96Å; L339-L341 HydrophobicContact CG-CD1 4.17Å; L339-L341 PolarHBondContact O-N 3.41Å; L341-T345 HydrophobicContact CD2-CG2 3.77Å; L341-T345 HydrophobicContact CG-CG2 4.08Å; L341-I349 HydrophobicContact CD2-CD1 3.66Å | ||
| 342 | A | 70.9 | Confident | 67.6 | Low | 60 Ų | 60 | 72 Ų | 72 | 50% | 0.496 | 40% | 0.401 | S | S | . | . | trans | -55.7 | 146.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | N344 T345 R346 | A342-N344 PolarHBondContact O-N 2.83Å; A342-T345 PolarHBondContact O-N 3.3Å; A342-R346 PolarHBondContact O-N 2.68Å | ||
| 343 | S | 65.1 | Low | 68.1 | Low | 80 Ų | 80 | 70 Ų | 70 | 56% | 0.559 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -49.1 | -49 | 178.1 | 44.1 | 0 | 0 | 0 | 0 | 111.4 | T345 R346 T347 | S343-T345 PolarHBondContact O-N 3.05Å; S343-R346 PolarHBondContact O-N 3.46Å; S343-T347 VanDerWaalsContact O-CB 3.29Å; S343-T347 WeakPolarHBondContact O-CB 3.35Å; S343-T347 PolarHBondContact O-N 3.44Å; S343-T347 PolarHBondContact O-OG1 3.49Å; S343-T347 VanDerWaalsContact O-OG1 3.08Å |
| 344 | N | 64.6 | Low | 68.3 | Low | 48 Ų | 48 | 68.2 Ų | 68.2 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | -173.7 | -54.7 | 17.2 | 0 | 0 | 0 | 110.9 | A342 T347 C348 | A342-N344 PolarHBondContact O-N 2.83Å; N344-T347 PolarHBondContact O-N 3.24Å; N344-C348 VanDerWaalsContact O-CB 3.28Å; N344-C348 WeakPolarHBondContact O-CB 3.49Å; N344-C348 PolarHBondContact O-N 3.5Å |
| 345 | T | 70 | Confident | 68.6 | Low | 70 Ų | 70 | 62.5 Ų | 62.5 | 43% | 0.429 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 174.8 | -45.5 | 0 | 0 | 0 | 0 | 111.5 | L341 A342 S343 T347 C348 I349 | L341-T345 HydrophobicContact CD2-CG2 3.77Å; L341-T345 HydrophobicContact CG-CG2 4.08Å; A342-T345 PolarHBondContact O-N 3.3Å; S343-T345 PolarHBondContact O-N 3.05Å; T345-T347 VanDerWaalsContact C-N 3.34Å; T345-T347 PolarHBondContact O-N 3.43Å; T345-C348 PolarHBondContact O-N 2.94Å; T345-I349 HydrophobicContact CG2-CD1 4.25Å; T345-I349 WeakPolarHBondContact O-CG1 3.43Å; T345-I349 PolarHBondContact O-N 3.44Å |
| 346 | R | 65.6 | Low | 69.1 | Low | 19 Ų | 19 | 61.4 Ų | 61.4 | 7% | 0.072 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.4 | -42 | 178.1 | -172.1 | -172.5 | 174.4 | -148.4 | -14 | 111.3 | L50 L51 R54 N55 W328 A342 S343 N350 | L50-R346 PolarHBondContact O-NH2 3.15Å; L51-R346 HydrophobicContact CD2-CG 3.8Å; L51-R346 VanDerWaalsContact CD2-CZ 3.5Å; L51-R346 PolarHBondContact O-NH1 3.41Å; R54-R346 VanDerWaalsContact CD-CZ 3.47Å; N55-R346 PolarHBondContact OD1-NH1 3.07Å; W328-R346 HydrophobicContact CH2-CG 4.41Å; W328-R346 HydrophobicContact CZ2-CG 3.94Å; A342-R346 PolarHBondContact O-N 2.68Å; S343-R346 PolarHBondContact O-N 3.46Å; R346-N350 PolarHBondContact O-N 3.26Å; R346-N350 PolarHBondContact O-ND2 3.41Å |
| 347 | T | 66.3 | Low | 70.3 | Confident | 17 Ų | 17 | 54 Ų | 54 | 10% | 0.104 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.1 | -47 | 175.6 | -71.1 | 0 | 0 | 0 | 0 | 111.3 | S343 N344 T345 I349 N350 Y351 | S343-T347 VanDerWaalsContact O-CB 3.29Å; S343-T347 WeakPolarHBondContact O-CB 3.35Å; S343-T347 PolarHBondContact O-N 3.44Å; S343-T347 PolarHBondContact O-OG1 3.49Å; S343-T347 VanDerWaalsContact O-OG1 3.08Å; N344-T347 PolarHBondContact O-N 3.24Å; T345-T347 VanDerWaalsContact C-N 3.34Å; T345-T347 PolarHBondContact O-N 3.43Å; T347-I349 PolarHBondContact O-N 3.02Å; T347-N350 WeakPolarHBondContact O-CB 3.23Å; T347-N350 PolarHBondContact O-N 2.98Å; T347-Y351 HydrophobicContact CG2-CD2 3.97Å; T347-Y351 HydrophobicContact CG2-CE2 3.19Å; T347-Y351 VanDerWaalsContact O-CD2 3.31Å; T347-Y351 WeakPolarHBondContact O-CD2 3.36Å; T347-Y351 PolarHBondContact O-N 2.84Å; T347-Y351 VanDerWaalsContact O-N 3.12Å |
| 348 | C | 69.6 | Low | 71.5 | Confident | 53 Ų | 53 | 46.4 Ų | 46.4 | 36% | 0.358 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.7 | -46.3 | 174.5 | -177.2 | 0 | 0 | 0 | 0 | 112.6 | N344 T345 N350 Y351 L352 | N344-C348 VanDerWaalsContact O-CB 3.28Å; N344-C348 WeakPolarHBondContact O-CB 3.49Å; N344-C348 PolarHBondContact O-N 3.5Å; T345-C348 PolarHBondContact O-N 2.94Å; C348-N350 VanDerWaalsContact C-N 3.35Å; C348-N350 PolarHBondContact O-N 3.04Å; C348-Y351 PolarHBondContact O-N 2.86Å; C348-Y351 VanDerWaalsContact O-N 3.13Å; C348-L352 WeakPolarHBondContact O-CG 3.29Å; C348-L352 PolarHBondContact O-N 3.49Å |
| 349 | I | 72.3 | Confident | 72.8 | Confident | 49 Ų | 49 | 43.3 Ų | 43.3 | 25% | 0.251 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 177.9 | -65.6 | 163.9 | 0 | 0 | 0 | 111.3 | W328 L341 T345 T347 Y351 L352 V353 | W328-I349 HydrophobicContact CD2-CG2 3.61Å; W328-I349 HydrophobicContact CE3-CG2 3.74Å; W328-I349 HydrophobicContact CG-CG2 4.27Å; W328-I349 HydrophobicContact CH2-CB 4Å; W328-I349 HydrophobicContact CH2-CD1 3.7Å; W328-I349 HydrophobicContact CH2-CG1 4.47Å; W328-I349 HydrophobicContact CH2-CG2 3.75Å; W328-I349 HydrophobicContact CZ2-CB 3.84Å; W328-I349 HydrophobicContact CZ2-CD1 4.39Å; W328-I349 HydrophobicContact CZ2-CG2 3.63Å; W328-I349 HydrophobicContact CZ3-CD1 4.04Å; W328-I349 HydrophobicContact CZ3-CG2 3.81Å; L341-I349 HydrophobicContact CD2-CD1 3.66Å; T345-I349 HydrophobicContact CG2-CD1 4.25Å; T345-I349 WeakPolarHBondContact O-CG1 3.43Å; T345-I349 PolarHBondContact O-N 3.44Å; T347-I349 PolarHBondContact O-N 3.02Å; I349-Y351 VanDerWaalsContact C-N 3.3Å; I349-Y351 PolarHBondContact O-N 3.38Å; I349-L352 PolarHBondContact O-N 3.04Å; I349-V353 HydrophobicContact CG2-CG1 4.42Å; I349-V353 WeakPolarHBondContact O-CG2 3.21Å; I349-V353 PolarHBondContact O-N 3.26Å |
| 350 | N | 70.7 | Confident | 74.1 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.011 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.1 | -42.2 | 175 | -77.6 | -59.4 | 0 | 0 | 0 | 112.5 | N47 L51 W328 R346 T347 C348 V353 A354 | N47-N350 HydrophobicContact CB-CB 4.29Å; N47-N350 PolarHBondContact ND2-O 3.19Å; L51-N350 WeakPolarHBondContact CD2-ND2 3.23Å; L51-N350 WeakPolarHBondContact CG-ND2 3.4Å; W328-N350 PolarHBondContact NE1-OD1 3.08Å; R346-N350 PolarHBondContact O-N 3.26Å; R346-N350 PolarHBondContact O-ND2 3.41Å; T347-N350 WeakPolarHBondContact O-CB 3.23Å; T347-N350 PolarHBondContact O-N 2.98Å; C348-N350 VanDerWaalsContact C-N 3.35Å; C348-N350 PolarHBondContact O-N 3.04Å; N350-V353 WeakPolarHBondContact O-CG2 3.37Å; N350-A354 WeakPolarHBondContact O-CB 3.02Å; N350-A354 PolarHBondContact O-N 2.87Å |
| 351 | Y | 71.6 | Confident | 75.3 | Confident | 23 Ų | 23 | 34.5 Ų | 34.5 | 9% | 0.09 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.1 | -40.8 | 177.7 | -64.9 | -37 | 0 | 0 | 0 | 112.8 | I93 F97 Y154 T347 C348 I349 A354 C355 | I93-Y351 HydrophobicContact CG2-CD2 3.91Å; I93-Y351 HydrophobicContact CG2-CE2 3.76Å; F97-Y351 AromaticContact CD1-CD1 3.96Å; F97-Y351 HydrophobicContact CD1-CD1 3.96Å; F97-Y351 HydrophobicContact CD1-CE1 4.21Å; F97-Y351 HydrophobicContact CD1-CG 4.36Å; F97-Y351 HydrophobicContact CD2-CD1 4.07Å; F97-Y351 AromaticContact CD2-CG 3.9Å; F97-Y351 HydrophobicContact CD2-CG 3.9Å; F97-Y351 AromaticContact CE1-CD1 3.7Å; F97-Y351 HydrophobicContact CE1-CD1 3.7Å; F97-Y351 HydrophobicContact CE1-CE1 4.02Å; F97-Y351 HydrophobicContact CE1-CG 4.45Å; F97-Y351 AromaticContact CE2-CD1 3.83Å; F97-Y351 HydrophobicContact CE2-CD1 3.83Å; F97-Y351 HydrophobicContact CE2-CG 4.01Å; F97-Y351 HydrophobicContact CG-CD1 4.12Å; F97-Y351 HydrophobicContact CG-CG 4.06Å; F97-Y351 AromaticContact CZ-CD1 3.61Å; F97-Y351 HydrophobicContact CZ-CD1 3.61Å; F97-Y351 HydrophobicContact CZ-CE1 4.35Å; F97-Y351 HydrophobicContact CZ-CG 4.26Å; Y154-Y351 HydrophobicContact CE1-CE2 4.47Å; Y154-Y351 AromaticContact CE2-CZ 3.86Å; Y154-Y351 WeakPolarHBondContact CE2-OH 3.43Å; Y154-Y351 AromaticContact CZ-CE2 3.87Å; Y154-Y351 AromaticContact CZ-CZ 3.53Å; Y154-Y351 VanDerWaalsContact OH-CE2 3.24Å; Y154-Y351 WeakPolarHBondContact OH-CE2 3.06Å; Y154-Y351 PolarHBondContact OH-OH 3.46Å; T347-Y351 HydrophobicContact CG2-CD2 3.97Å; T347-Y351 HydrophobicContact CG2-CE2 3.19Å; T347-Y351 VanDerWaalsContact O-CD2 3.31Å; T347-Y351 WeakPolarHBondContact O-CD2 3.36Å; T347-Y351 PolarHBondContact O-N 2.84Å; T347-Y351 VanDerWaalsContact O-N 3.12Å; C348-Y351 PolarHBondContact O-N 2.86Å; C348-Y351 VanDerWaalsContact O-N 3.13Å; I349-Y351 VanDerWaalsContact C-N 3.3Å; I349-Y351 PolarHBondContact O-N 3.38Å; Y351-A354 PolarHBondContact O-N 2.84Å; Y351-C355 WeakPolarHBondContact O-CB 3.48Å; Y351-C355 PolarHBondContact O-N 2.82Å |
| 352 | L | 77.3 | Confident | 76.4 | Confident | 107 Ų | 107 | 32 Ų | 32 | 56% | 0.56 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -63.2 | -49.1 | 177 | -69.6 | 173.2 | 0 | 0 | 0 | 111.1 | C348 I349 A354 C355 L356 | C348-L352 WeakPolarHBondContact O-CG 3.29Å; C348-L352 PolarHBondContact O-N 3.49Å; I349-L352 PolarHBondContact O-N 3.04Å; L352-A354 VanDerWaalsContact C-N 3.31Å; L352-A354 PolarHBondContact O-N 3.42Å; L352-C355 PolarHBondContact O-N 2.72Å; L352-L356 WeakPolarHBondContact O-CB 3.29Å; L352-L356 PolarHBondContact O-N 3.47Å |
| 353 | V | 79.4 | Confident | 77.1 | Confident | 12 Ų | 12 | 31.5 Ų | 31.5 | 7% | 0.073 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.6 | -32 | 179.1 | -58.8 | 0 | 0 | 0 | 0 | 112.7 | P324 F325 W328 I349 N350 L356 T357 | P324-V353 HydrophobicContact CB-CG1 4.13Å; F325-V353 HydrophobicContact CB-CB 4.13Å; F325-V353 HydrophobicContact CB-CG2 4.47Å; F325-V353 HydrophobicContact CD2-CB 4.44Å; F325-V353 HydrophobicContact CD2-CG2 3.98Å; W328-V353 HydrophobicContact CB-CG1 4.47Å; W328-V353 HydrophobicContact CG-CG2 4.48Å; I349-V353 HydrophobicContact CG2-CG1 4.42Å; I349-V353 WeakPolarHBondContact O-CG2 3.21Å; I349-V353 PolarHBondContact O-N 3.26Å; N350-V353 WeakPolarHBondContact O-CG2 3.37Å; V353-L356 PolarHBondContact O-N 3.2Å; V353-T357 PolarHBondContact O-N 3.16Å |
| 354 | A | 75.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.4 | -45.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F43 N350 Y351 L352 L356 T357 Y358 | F43-A354 HydrophobicContact CE1-CB 3.57Å; F43-A354 HydrophobicContact CZ-CB 4.12Å; N350-A354 WeakPolarHBondContact O-CB 3.02Å; N350-A354 PolarHBondContact O-N 2.87Å; Y351-A354 PolarHBondContact O-N 2.84Å; L352-A354 VanDerWaalsContact C-N 3.31Å; L352-A354 PolarHBondContact O-N 3.42Å; A354-L356 PolarHBondContact O-N 2.9Å; A354-T357 PolarHBondContact O-N 3.13Å; A354-T357 PolarHBondContact O-OG1 3.02Å; A354-Y358 VanDerWaalsContact O-CD2 3.27Å; A354-Y358 WeakPolarHBondContact O-CD2 3.31Å; A354-Y358 PolarHBondContact O-N 2.7Å |
| 355 | C | 82 | Confident | 78.8 | Confident | 9 Ų | 9 | 25.8 Ų | 25.8 | 6% | 0.061 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.7 | -33.1 | 175 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | L100 Y351 L352 Y358 T359 | L100-C355 HydrophobicContact CD2-CB 4.17Å; L100-C355 WeakPolarHBondContact CD2-SG 3.34Å; L100-C355 VanDerWaalsContact CG-SG 3.54Å; Y351-C355 WeakPolarHBondContact O-CB 3.48Å; Y351-C355 PolarHBondContact O-N 2.82Å; L352-C355 PolarHBondContact O-N 2.72Å; C355-Y358 PolarHBondContact O-N 3.13Å; C355-T359 WeakPolarHBondContact O-CB 3.28Å; C355-T359 PolarHBondContact O-N 3.22Å; C355-T359 PolarHBondContact O-OG1 3.2Å |
| 356 | L | 85 | Confident | 79.2 | Confident | 64 Ų | 64 | 28.2 Ų | 28.2 | 34% | 0.335 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -67.6 | -39.7 | 179.4 | -155.7 | 72.6 | 0 | 0 | 0 | 112.5 | A320 C321 P324 L352 V353 A354 T359 | A320-L356 VanDerWaalsContact O-CD2 3.25Å; A320-L356 WeakPolarHBondContact O-CD2 2.83Å; C321-L356 HydrophobicContact CB-CG 4.39Å; C321-L356 WeakPolarHBondContact CB-O 3.05Å; P324-L356 HydrophobicContact CB-CD2 4.27Å; P324-L356 HydrophobicContact CG-CD2 3.88Å; L352-L356 WeakPolarHBondContact O-CB 3.29Å; L352-L356 PolarHBondContact O-N 3.47Å; V353-L356 PolarHBondContact O-N 3.2Å; A354-L356 PolarHBondContact O-N 2.9Å; L356-T359 PolarHBondContact O-N 3.28Å |
| 357 | T | 84.5 | Confident | 79.5 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.9 | -42.5 | 174 | 59.4 | 0 | 0 | 0 | 0 | 111.9 | Y143 F322 F325 V353 A354 T359 N360 | Y143-T357 WeakPolarHBondContact OH-CB 3.37Å; Y143-T357 PolarHBondContact OH-OG1 3.01Å; F322-T357 HydrophobicContact CD1-CG2 3.52Å; F322-T357 HydrophobicContact CE1-CG2 3.57Å; F322-T357 HydrophobicContact CG-CG2 4.22Å; F322-T357 HydrophobicContact CZ-CG2 4.34Å; F325-T357 HydrophobicContact CB-CG2 3.68Å; F325-T357 HydrophobicContact CD1-CG2 4.38Å; F325-T357 HydrophobicContact CD2-CG2 4.17Å; F325-T357 HydrophobicContact CG-CG2 3.84Å; V353-T357 PolarHBondContact O-N 3.16Å; A354-T357 PolarHBondContact O-N 3.13Å; A354-T357 PolarHBondContact O-OG1 3.02Å; T357-T359 VanDerWaalsContact C-N 3.3Å; T357-T359 PolarHBondContact O-N 3.21Å; T357-N360 VanDerWaalsContact O-CB 3.32Å; T357-N360 WeakPolarHBondContact O-CB 3.34Å; T357-N360 PolarHBondContact O-N 3.4Å |
| 358 | Y | 85.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63 | -34.2 | 174.8 | -74.2 | -58.7 | 0 | 0 | 0 | 113.8 | F43 L101 Y143 T146 I147 V150 A354 C355 N360 S361 | F43-Y358 WeakPolarHBondContact CB-OH 3.35Å; F43-Y358 HydrophobicContact CD1-CE2 4.08Å; F43-Y358 HydrophobicContact CD2-CE2 4.1Å; F43-Y358 AromaticContact CD2-CZ 3.7Å; F43-Y358 WeakPolarHBondContact CD2-OH 3.48Å; F43-Y358 HydrophobicContact CE1-CE2 4.16Å; F43-Y358 HydrophobicContact CE2-CE2 4.13Å; F43-Y358 AromaticContact CE2-CZ 3.95Å; F43-Y358 HydrophobicContact CG-CE2 4.07Å; F43-Y358 AromaticContact CG-CZ 3.95Å; F43-Y358 WeakPolarHBondContact CG-OH 3.49Å; F43-Y358 HydrophobicContact CZ-CE2 4.16Å; L101-Y358 HydrophobicContact CD2-CD2 3.74Å; L101-Y358 HydrophobicContact CD2-CE2 4.22Å; Y143-Y358 AromaticContact CD1-CD1 3.89Å; Y143-Y358 HydrophobicContact CD1-CD1 3.89Å; Y143-Y358 HydrophobicContact CD1-CE1 4.24Å; Y143-Y358 HydrophobicContact CD2-CE1 4.29Å; Y143-Y358 AromaticContact CE1-CD1 3.39Å; Y143-Y358 HydrophobicContact CE1-CD1 3.39Å; Y143-Y358 AromaticContact CE1-CE1 3.86Å; Y143-Y358 HydrophobicContact CE1-CE1 3.86Å; Y143-Y358 HydrophobicContact CE1-CG 4.23Å; Y143-Y358 HydrophobicContact CE2-CD1 4.28Å; Y143-Y358 AromaticContact CE2-CE1 3.9Å; Y143-Y358 HydrophobicContact CE2-CE1 3.9Å; Y143-Y358 HydrophobicContact CG-CE1 4.43Å; Y143-Y358 AromaticContact CZ-CD1 3.58Å; Y143-Y358 AromaticContact CZ-CE1 3.63Å; T146-Y358 PolarHBondContact O-OH 3.38Å; T146-Y358 WeakPolarHBondContact OG1-CE1 3.46Å; T146-Y358 PolarHBondContact OG1-OH 3.48Å; I147-Y358 HydrophobicContact CD1-CD1 3.61Å; I147-Y358 HydrophobicContact CD1-CD2 4.45Å; I147-Y358 HydrophobicContact CD1-CE1 4.06Å; I147-Y358 HydrophobicContact CD1-CG 3.81Å; I147-Y358 HydrophobicContact CG1-CD1 3.63Å; I147-Y358 HydrophobicContact CG1-CD2 4.36Å; I147-Y358 HydrophobicContact CG1-CE1 3.52Å; I147-Y358 HydrophobicContact CG1-CE2 4.24Å; I147-Y358 HydrophobicContact CG1-CG 4.04Å; V150-Y358 HydrophobicContact CG2-CE2 4.2Å; A354-Y358 VanDerWaalsContact O-CD2 3.27Å; A354-Y358 WeakPolarHBondContact O-CD2 3.31Å; A354-Y358 PolarHBondContact O-N 2.7Å; C355-Y358 PolarHBondContact O-N 3.13Å; Y358-N360 PolarHBondContact O-N 3.08Å; Y358-S361 PolarHBondContact O-N 3.14Å |
| 359 | T | 87 | Confident | 79.9 | Confident | 41 Ų | 41 | 27.2 Ų | 27.2 | 25% | 0.252 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -62.8 | -27.7 | 179.2 | -59.1 | 0 | 0 | 0 | 0 | 112.5 | C355 L356 T357 S361 C362 I363 | C355-T359 WeakPolarHBondContact O-CB 3.28Å; C355-T359 PolarHBondContact O-N 3.22Å; C355-T359 PolarHBondContact O-OG1 3.2Å; L356-T359 PolarHBondContact O-N 3.28Å; T357-T359 VanDerWaalsContact C-N 3.3Å; T357-T359 PolarHBondContact O-N 3.21Å; T359-S361 PolarHBondContact O-N 3.01Å; T359-C362 WeakPolarHBondContact O-CB 3.16Å; T359-C362 PolarHBondContact O-N 3.39Å; T359-C362 VanDerWaalsContact O-N 3.13Å; T359-I363 HydrophobicContact CG2-CD1 3.93Å; T359-I363 HydrophobicContact CG2-CG1 4.42Å; T359-I363 WeakPolarHBondContact O-CG1 3.1Å; T359-I363 PolarHBondContact O-N 3.06Å |
| 360 | N | 86.9 | Confident | 79.6 | Confident | 6 Ų | 6 | 29.6 Ų | 29.6 | 3% | 0.032 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56 | -46.3 | 176.3 | 179.2 | 84.9 | 0 | 0 | 0 | 112.6 | F318 C321 F322 T357 Y358 C362 I363 N364 | F318-N360 WeakPolarHBondContact CA-OD1 3.19Å; C321-N360 HydrophobicContact CB-CB 3.98Å; F322-N360 HydrophobicContact CD2-CB 4.43Å; F322-N360 HydrophobicContact CE2-CB 3.65Å; F322-N360 HydrophobicContact CZ-CB 4.4Å; T357-N360 VanDerWaalsContact O-CB 3.32Å; T357-N360 WeakPolarHBondContact O-CB 3.34Å; T357-N360 PolarHBondContact O-N 3.4Å; Y358-N360 PolarHBondContact O-N 3.08Å; N360-C362 PolarHBondContact O-N 2.7Å; N360-I363 PolarHBondContact O-N 3.43Å; N360-I363 VanDerWaalsContact O-N 3.14Å; N360-N364 PolarHBondContact O-N 2.95Å |
| 361 | S | 87.1 | Confident | 79.3 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.6 | -20 | -179.6 | -63.4 | 0 | 0 | 0 | 0 | 113.3 | N112 D140 Y143 Y358 T359 P365 | N112-S361 PolarHBondContact ND2-O 3.44Å; D140-S361 VanDerWaalsContact CG-OG 3.3Å; D140-S361 WeakPolarHBondContact OD1-CB 3.44Å; D140-S361 PolarHBondContact OD1-OG 3.28Å; Y143-S361 WeakPolarHBondContact CD1-OG 3.02Å; Y358-S361 PolarHBondContact O-N 3.14Å; T359-S361 PolarHBondContact O-N 3.01Å; S361-P365 WeakPolarHBondContact O-CD 3.45Å |
| 362 | C | 87.2 | Confident | 78.9 | Confident | 9 Ų | 9 | 30.2 Ų | 30.2 | 6% | 0.061 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -77.6 | -32.2 | 172.2 | -61.4 | 0 | 0 | 0 | 0 | 112.9 | V104 V107 G108 T359 N360 F366 | V104-C362 PolarHBondContact O-SG 3.19Å; V107-C362 HydrophobicContact CG1-CB 4.23Å; G108-C362 WeakPolarHBondContact CA-SG 3.35Å; T359-C362 WeakPolarHBondContact O-CB 3.16Å; T359-C362 PolarHBondContact O-N 3.39Å; T359-C362 VanDerWaalsContact O-N 3.13Å; N360-C362 PolarHBondContact O-N 2.7Å; C362-F366 WeakPolarHBondContact O-CD2 3.36Å; C362-F366 WeakPolarHBondContact O-CE2 3.49Å |
| 363 | I | 85.6 | Confident | 78.4 | Confident | 51 Ų | 51 | 31.4 Ų | 31.4 | 26% | 0.262 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -76.4 | -32.3 | -175.6 | -67.1 | 165.6 | 0 | 0 | 0 | 111.2 | V317 T359 N360 F366 L367 | V317-I363 HydrophobicContact CG1-CB 4.19Å; V317-I363 HydrophobicContact CG1-CD1 3.49Å; V317-I363 VanDerWaalsContact CG1-CD1 3.49Å; V317-I363 HydrophobicContact CG1-CG1 4.43Å; V317-I363 HydrophobicContact CG1-CG2 3.9Å; V317-I363 HydrophobicContact CG2-CG2 4.36Å; T359-I363 HydrophobicContact CG2-CD1 3.93Å; T359-I363 HydrophobicContact CG2-CG1 4.42Å; T359-I363 WeakPolarHBondContact O-CG1 3.1Å; T359-I363 PolarHBondContact O-N 3.06Å; N360-I363 PolarHBondContact O-N 3.43Å; N360-I363 VanDerWaalsContact O-N 3.14Å; I363-F366 PolarHBondContact O-N 3.06Å; I363-F366 VanDerWaalsContact O-N 3.15Å; I363-L367 HydrophobicContact CG2-CD1 3.51Å; I363-L367 HydrophobicContact CG2-CG 4.25Å; I363-L367 WeakPolarHBondContact O-CD1 3.4Å; I363-L367 PolarHBondContact O-N 3.49Å |
| 364 | N | 83.1 | Confident | 77.7 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -47.6 | -56 | 178.9 | -78.9 | -19.6 | 0 | 0 | 0 | 114 | D140 N360 F366 L367 Y368 | D140-N364 PolarHBondContact OD2-ND2 2.9Å; N360-N364 PolarHBondContact O-N 2.95Å; N364-F366 PolarHBondContact O-N 3.29Å; N364-L367 WeakPolarHBondContact O-CB 3.38Å; N364-L367 PolarHBondContact O-N 2.94Å; N364-L367 VanDerWaalsContact O-N 3.13Å; N364-Y368 HydrophobicContact CB-CD2 4.41Å; N364-Y368 HydrophobicContact CB-CE2 3.98Å; N364-Y368 WeakPolarHBondContact O-CD2 3.43Å; N364-Y368 PolarHBondContact O-N 3.31Å |
| 365 | P | 82.1 | Confident | 76.9 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.032 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -50.6 | -44.2 | 174.8 | -33.5 | 37.1 | 0 | 0 | 0 | 116.1 | G111 N112 S361 L367 Y368 T369 | G111-P365 WeakPolarHBondContact O-CB 3.25Å; G111-P365 WeakPolarHBondContact O-CG 3.29Å; N112-P365 HydrophobicContact CB-CG 4.4Å; N112-P365 WeakPolarHBondContact OD1-CG 3.32Å; S361-P365 WeakPolarHBondContact O-CD 3.45Å; P365-L367 VanDerWaalsContact C-N 3.27Å; P365-L367 PolarHBondContact O-N 2.89Å; P365-Y368 PolarHBondContact O-N 2.77Å; P365-T369 WeakPolarHBondContact O-CG2 3.47Å; P365-T369 PolarHBondContact O-N 2.94Å; P365-T369 PolarHBondContact O-OG1 3.35Å; P365-T369 VanDerWaalsContact O-OG1 3.04Å |
| 366 | F | 77.9 | Confident | 76.1 | Confident | 121 Ų | 121 | 45.3 Ų | 45.3 | 53% | 0.531 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.9 | -37.5 | -179.6 | -65.2 | -81.7 | 0 | 0 | 0 | 111.4 | V107 C362 I363 N364 T369 L370 | V107-F366 HydrophobicContact CG1-CE2 4.14Å; V107-F366 HydrophobicContact CG1-CZ 4.33Å; C362-F366 WeakPolarHBondContact O-CD2 3.36Å; C362-F366 WeakPolarHBondContact O-CE2 3.49Å; I363-F366 PolarHBondContact O-N 3.06Å; I363-F366 VanDerWaalsContact O-N 3.15Å; N364-F366 PolarHBondContact O-N 3.29Å; F366-T369 WeakPolarHBondContact CA-OG1 3.24Å; F366-T369 PolarHBondContact O-OG1 2.9Å; F366-L370 VanDerWaalsContact O-CG 3.27Å; F366-L370 WeakPolarHBondContact O-CG 3.47Å; F366-L370 PolarHBondContact O-N 3.05Å |
| 367 | L | 72.6 | Confident | 75.2 | Confident | 15 Ų | 15 | 46.3 Ų | 46.3 | 8% | 0.079 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.8 | -43.5 | 176.2 | -63.5 | 152.2 | 0 | 0 | 0 | 111.1 | M310 T313 I314 I363 N364 P365 T369 L370 L371 | M310-L367 HydrophobicContact CG-CB 4.35Å; M310-L367 HydrophobicContact CG-CD2 4.04Å; T313-L367 HydrophobicContact CG2-CD2 4.18Å; I314-L367 HydrophobicContact CB-CD1 4.09Å; I314-L367 HydrophobicContact CD1-CB 3.93Å; I314-L367 HydrophobicContact CD1-CD1 3.95Å; I314-L367 HydrophobicContact CD1-CG 4.43Å; I314-L367 HydrophobicContact CG1-CB 4.25Å; I314-L367 HydrophobicContact CG1-CD1 3.61Å; I314-L367 HydrophobicContact CG1-CD2 4.23Å; I314-L367 HydrophobicContact CG1-CG 4.24Å; I314-L367 HydrophobicContact CG2-CD1 4Å; I363-L367 HydrophobicContact CG2-CD1 3.51Å; I363-L367 HydrophobicContact CG2-CG 4.25Å; I363-L367 WeakPolarHBondContact O-CD1 3.4Å; I363-L367 PolarHBondContact O-N 3.49Å; N364-L367 WeakPolarHBondContact O-CB 3.38Å; N364-L367 PolarHBondContact O-N 2.94Å; N364-L367 VanDerWaalsContact O-N 3.13Å; P365-L367 VanDerWaalsContact C-N 3.27Å; P365-L367 PolarHBondContact O-N 2.89Å; L367-T369 PolarHBondContact O-N 3.09Å; L367-L370 PolarHBondContact O-N 3.4Å; L367-L371 PolarHBondContact O-N 2.99Å |
| 368 | Y | 72.2 | Confident | 74 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.6 | -28.6 | 178.6 | -65.3 | -58.9 | 0 | 0 | 0 | 114.5 | M129 I133 L136 M187 I314 N364 P365 L371 T372 | M129-Y368 HydrophobicContact CE-CE1 4.23Å; I133-Y368 HydrophobicContact CD1-CD1 3.95Å; I133-Y368 HydrophobicContact CD1-CE1 4.41Å; I133-Y368 HydrophobicContact CG1-CD1 4.1Å; I133-Y368 HydrophobicContact CG1-CE1 4.14Å; I133-Y368 HydrophobicContact CG2-CD1 4.26Å; I133-Y368 HydrophobicContact CG2-CD2 4.34Å; I133-Y368 HydrophobicContact CG2-CG 4.13Å; L136-Y368 HydrophobicContact CD2-CE2 3.61Å; L136-Y368 WeakPolarHBondContact CD2-OH 3.19Å; M187-Y368 HydrophobicContact CE-CE1 3.6Å; M187-Y368 HydrophobicContact SD-CE1 3.79Å; M187-Y368 PolarHBondContact SD-OH 2.96Å; I314-Y368 HydrophobicContact CD1-CE1 4.41Å; N364-Y368 HydrophobicContact CB-CD2 4.41Å; N364-Y368 HydrophobicContact CB-CE2 3.98Å; N364-Y368 WeakPolarHBondContact O-CD2 3.43Å; N364-Y368 PolarHBondContact O-N 3.31Å; P365-Y368 PolarHBondContact O-N 2.77Å; Y368-L371 HydrophobicContact CD1-CD2 4.21Å; Y368-L371 WeakPolarHBondContact O-CB 3.45Å; Y368-L371 PolarHBondContact O-N 3.3Å; Y368-T372 VanDerWaalsContact O-CB 3.28Å; Y368-T372 WeakPolarHBondContact O-CB 3.38Å; Y368-T372 PolarHBondContact O-N 3.25Å; Y368-T372 PolarHBondContact O-OG1 2.78Å |
| 369 | T | 71.3 | Confident | 72.9 | Confident | 47 Ų | 47 | 52.9 Ų | 52.9 | 29% | 0.288 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -72 | -39.5 | 172.8 | 52.4 | 0 | 0 | 0 | 0 | 111.6 | Y114 P365 F366 L367 T372 K373 | Y114-T369 HydrophobicContact CD1-CG2 3.92Å; Y114-T369 HydrophobicContact CE1-CG2 3.5Å; P365-T369 WeakPolarHBondContact O-CG2 3.47Å; P365-T369 PolarHBondContact O-N 2.94Å; P365-T369 PolarHBondContact O-OG1 3.35Å; P365-T369 VanDerWaalsContact O-OG1 3.04Å; F366-T369 WeakPolarHBondContact CA-OG1 3.24Å; F366-T369 PolarHBondContact O-OG1 2.9Å; L367-T369 PolarHBondContact O-N 3.09Å; T369-T372 WeakPolarHBondContact O-CB 3.37Å; T369-T372 PolarHBondContact O-N 3.05Å; T369-K373 WeakPolarHBondContact O-CB 3.45Å; T369-K373 PolarHBondContact O-N 2.87Å |
| 370 | L | 67.1 | Low | 71.9 | Confident | 99 Ų | 99 | 58 Ų | 58 | 52% | 0.518 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 169.3 | -69.3 | 171.2 | 0 | 0 | 0 | 111.8 | F366 L367 T372 N374 | F366-L370 VanDerWaalsContact O-CG 3.27Å; F366-L370 WeakPolarHBondContact O-CG 3.47Å; F366-L370 PolarHBondContact O-N 3.05Å; L367-L370 PolarHBondContact O-N 3.4Å; L370-T372 VanDerWaalsContact C-N 3.34Å; L370-T372 PolarHBondContact O-N 3.22Å; L370-N374 PolarHBondContact O-N 2.88Å; L370-N374 PolarHBondContact O-ND2 2.63Å |
| 371 | L | 64.3 | Low | 70.8 | Confident | 13 Ų | 13 | 62.7 Ų | 62.7 | 7% | 0.068 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.6 | -50.7 | 171.8 | -176.3 | 63.5 | 0 | 0 | 0 | 111.4 | I133 V307 M310 L367 Y368 N374 Y375 | I133-L371 HydrophobicContact CD1-CD2 4.35Å; V307-L371 HydrophobicContact CB-CD1 4.27Å; V307-L371 HydrophobicContact CG1-CD1 4Å; V307-L371 HydrophobicContact CG2-CD1 3.56Å; M310-L371 HydrophobicContact CE-CB 4Å; M310-L371 HydrophobicContact CE-CD1 3.92Å; M310-L371 HydrophobicContact CE-CD2 4.18Å; M310-L371 HydrophobicContact CE-CG 4.25Å; M310-L371 HydrophobicContact SD-CB 3.61Å; M310-L371 HydrophobicContact SD-CD1 4.11Å; M310-L371 HydrophobicContact SD-CG 4.37Å; L367-L371 PolarHBondContact O-N 2.99Å; Y368-L371 HydrophobicContact CD1-CD2 4.21Å; Y368-L371 WeakPolarHBondContact O-CB 3.45Å; Y368-L371 PolarHBondContact O-N 3.3Å; L371-N374 PolarHBondContact O-N 3.42Å; L371-Y375 WeakPolarHBondContact O-CB 3.36Å; L371-Y375 PolarHBondContact O-N 3.36Å |
| 372 | T | 64 | Low | 69.7 | Low | 25 Ų | 25 | 70 Ų | 70 | 15% | 0.153 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -47.2 | -176.5 | -68.2 | 0 | 0 | 0 | 0 | 111.8 | V118 M119 I123 Y368 T369 L370 Y375 R376 | V118-T372 HydrophobicContact CG1-CG2 4.23Å; M119-T372 VanDerWaalsContact CE-OG1 3.3Å; M119-T372 WeakPolarHBondContact CE-OG1 3.2Å; I123-T372 HydrophobicContact CD1-CG2 3.42Å; I123-T372 VanDerWaalsContact CD1-CG2 3.42Å; Y368-T372 VanDerWaalsContact O-CB 3.28Å; Y368-T372 WeakPolarHBondContact O-CB 3.38Å; Y368-T372 PolarHBondContact O-N 3.25Å; Y368-T372 PolarHBondContact O-OG1 2.78Å; T369-T372 WeakPolarHBondContact O-CB 3.37Å; T369-T372 PolarHBondContact O-N 3.05Å; L370-T372 VanDerWaalsContact C-N 3.34Å; L370-T372 PolarHBondContact O-N 3.22Å; T372-Y375 PolarHBondContact O-N 3.34Å; T372-R376 WeakPolarHBondContact O-CB 3.36Å; T372-R376 PolarHBondContact O-N 3.42Å |
| 373 | K | 66.6 | Low | 68.5 | Low | 132 Ų | 132 | 75.3 Ų | 75.3 | 57% | 0.574 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.6 | -49.5 | 178.7 | -174.3 | 176.1 | 178.5 | -179.7 | 0 | 111.2 | T369 Y375 R376 E377 | T369-K373 WeakPolarHBondContact O-CB 3.45Å; T369-K373 PolarHBondContact O-N 2.87Å; K373-Y375 VanDerWaalsContact C-N 3.29Å; K373-Y375 PolarHBondContact O-N 3.4Å; K373-R376 PolarHBondContact O-N 3.1Å; K373-E377 WeakPolarHBondContact CE-OE1 3.29Å; K373-E377 WeakPolarHBondContact CG-OE1 3.18Å; K373-E377 WeakPolarHBondContact O-CB 3.34Å; K373-E377 WeakPolarHBondContact O-CG 3.35Å; K373-E377 PolarHBondContact O-N 3.5Å |
| 374 | N | 64.8 | Low | 67.5 | Low | 51 Ų | 51 | 79.1 Ų | 79.1 | 27% | 0.273 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.9 | -39.3 | 176.4 | -78.4 | -69.5 | 0 | 0 | 0 | 112.5 | K306 L370 L371 Y378 | K306-N374 WeakPolarHBondContact CD-OD1 3.36Å; K306-N374 WeakPolarHBondContact CE-OD1 3.49Å; K306-N374 PolarHBondContact NZ-OD1 3.24Å; L370-N374 PolarHBondContact O-N 2.88Å; L370-N374 PolarHBondContact O-ND2 2.63Å; L371-N374 PolarHBondContact O-N 3.42Å; N374-Y378 WeakPolarHBondContact O-CB 3.38Å; N374-Y378 PolarHBondContact O-N 3.28Å |
| 375 | Y | 59.1 | Low | 66.3 | Low | 75 Ų | 75 | 82.6 Ų | 82.6 | 29% | 0.294 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -72.3 | -39.7 | 178.7 | -173.4 | -112.8 | 0 | 0 | 0 | 112.8 | A126 L371 T372 K373 Y378 L379 | A126-Y375 HydrophobicContact CB-CE1 3.85Å; A126-Y375 PolarHBondContact O-OH 2.93Å; L371-Y375 WeakPolarHBondContact O-CB 3.36Å; L371-Y375 PolarHBondContact O-N 3.36Å; T372-Y375 PolarHBondContact O-N 3.34Å; K373-Y375 VanDerWaalsContact C-N 3.29Å; K373-Y375 PolarHBondContact O-N 3.4Å; Y375-Y378 HydrophobicContact CD2-CD1 4.46Å; Y375-Y378 HydrophobicContact CE2-CD1 4.34Å; Y375-Y378 WeakPolarHBondContact O-CB 3.5Å; Y375-Y378 PolarHBondContact O-N 3.36Å; Y375-L379 HydrophobicContact CD1-CD1 4.08Å; Y375-L379 HydrophobicContact CE1-CD1 3.49Å; Y375-L379 VanDerWaalsContact CE1-CD1 3.49Å; Y375-L379 HydrophobicContact CE1-CG 4.05Å; Y375-L379 HydrophobicContact CE2-CG 4.4Å; Y375-L379 PolarHBondContact O-N 3.26Å |
| 376 | R | 65.4 | Low | 65.2 | Low | 188 Ų | 188 | 89 Ų | 89 | 71% | 0.709 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -66.6 | -40.1 | 176.4 | -163 | 177.4 | -160.1 | -94.7 | 1.4 | 111.8 | T372 K373 L379 K380 | T372-R376 WeakPolarHBondContact O-CB 3.36Å; T372-R376 PolarHBondContact O-N 3.42Å; K373-R376 PolarHBondContact O-N 3.1Å; R376-L379 PolarHBondContact O-N 2.97Å; R376-K380 VanDerWaalsContact O-CB 3.32Å; R376-K380 WeakPolarHBondContact O-CB 3.25Å; R376-K380 PolarHBondContact O-N 2.97Å |
| 377 | E | 64.6 | Low | 64.1 | Low | 85 Ų | 85 | 91 Ų | 91 | 40% | 0.397 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 171.6 | -74.4 | 172.7 | -170 | 0 | 0 | 111.5 | K373 K380 N381 | K373-E377 WeakPolarHBondContact CE-OE1 3.29Å; K373-E377 WeakPolarHBondContact CG-OE1 3.18Å; K373-E377 WeakPolarHBondContact O-CB 3.34Å; K373-E377 WeakPolarHBondContact O-CG 3.35Å; K373-E377 PolarHBondContact O-N 3.5Å; E377-K380 PolarHBondContact O-N 3.44Å; E377-N381 WeakPolarHBondContact O-CB 3.3Å; E377-N381 PolarHBondContact O-N 3.27Å; E377-N381 PolarHBondContact O-ND2 2.94Å |
| 378 | Y | 59.9 | Low | 63.2 | Low | 86 Ų | 86 | 98.3 Ų | 98.3 | 34% | 0.337 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.9 | -48 | 174 | 172.1 | -101 | 0 | 0 | 0 | 112.5 | P303 N374 Y375 N381 R382 | P303-Y378 HydrophobicContact CB-CD2 4.41Å; P303-Y378 HydrophobicContact CG-CD2 3.54Å; P303-Y378 HydrophobicContact CG-CE2 4Å; P303-Y378 HydrophobicContact CG-CG 4.15Å; N374-Y378 WeakPolarHBondContact O-CB 3.38Å; N374-Y378 PolarHBondContact O-N 3.28Å; Y375-Y378 HydrophobicContact CD2-CD1 4.46Å; Y375-Y378 HydrophobicContact CE2-CD1 4.34Å; Y375-Y378 WeakPolarHBondContact O-CB 3.5Å; Y375-Y378 PolarHBondContact O-N 3.36Å; Y378-N381 PolarHBondContact O-N 3.32Å; Y378-R382 WeakPolarHBondContact O-CB 3.47Å; Y378-R382 PolarHBondContact O-N 3.35Å; Y378-R382 PolarHBondContact OH-NH1 2.99Å |
| 379 | L | 61.5 | Low | 62.2 | Low | 53 Ų | 53 | 106.1 Ų | 106.1 | 28% | 0.277 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 177.1 | -73.6 | 179.5 | 0 | 0 | 0 | 111.9 | A126 Y375 R376 N381 R382 H383 | A126-L379 HydrophobicContact CB-CD1 4.3Å; Y375-L379 HydrophobicContact CD1-CD1 4.08Å; Y375-L379 HydrophobicContact CE1-CD1 3.49Å; Y375-L379 VanDerWaalsContact CE1-CD1 3.49Å; Y375-L379 HydrophobicContact CE1-CG 4.05Å; Y375-L379 HydrophobicContact CE2-CG 4.4Å; Y375-L379 PolarHBondContact O-N 3.26Å; R376-L379 PolarHBondContact O-N 2.97Å; L379-N381 VanDerWaalsContact C-N 3.3Å; L379-N381 PolarHBondContact O-N 3.28Å; L379-R382 PolarHBondContact O-N 3.3Å; L379-H383 PolarHBondContact O-CD2 3.35Å; L379-H383 PolarHBondContact O-N 3.04Å |
| 380 | K | 66.1 | Low | 61.3 | Low | 149 Ų | 149 | 106.9 Ų | 106.9 | 65% | 0.648 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -57.9 | -43.5 | 175.5 | -174.3 | 177.7 | -179 | -179.7 | 0 | 111.3 | R376 E377 K384 | R376-K380 VanDerWaalsContact O-CB 3.32Å; R376-K380 WeakPolarHBondContact O-CB 3.25Å; R376-K380 PolarHBondContact O-N 2.97Å; E377-K380 PolarHBondContact O-N 3.44Å; K380-K384 VanDerWaalsContact O-CB 3.3Å; K380-K384 WeakPolarHBondContact O-CB 3.34Å; K380-K384 PolarHBondContact O-N 3.28Å |
| 381 | N | 65.2 | Low | 60.5 | Low | 104 Ų | 104 | 104.9 Ų | 104.9 | 56% | 0.556 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -70.1 | -37.7 | 178.1 | -70 | -13.4 | 0 | 0 | 0 | 112.2 | E377 Y378 L379 K384 S385 | E377-N381 WeakPolarHBondContact O-CB 3.3Å; E377-N381 PolarHBondContact O-N 3.27Å; E377-N381 PolarHBondContact O-ND2 2.94Å; Y378-N381 PolarHBondContact O-N 3.32Å; L379-N381 VanDerWaalsContact C-N 3.3Å; L379-N381 PolarHBondContact O-N 3.28Å; N381-K384 PolarHBondContact O-N 3.15Å; N381-S385 VanDerWaalsContact O-CB 3.32Å; N381-S385 WeakPolarHBondContact O-CB 3.33Å; N381-S385 PolarHBondContact O-N 3.44Å |
| 382 | R | 62.6 | Low | 59.7 | Low | 155 Ų | 155 | 107.4 Ų | 107.4 | 59% | 0.585 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.2 | -46.5 | 174.4 | -173.6 | 178.7 | 179 | 128.2 | 0.5 | 111.7 | Y378 L379 S385 F386 | Y378-R382 WeakPolarHBondContact O-CB 3.47Å; Y378-R382 PolarHBondContact O-N 3.35Å; Y378-R382 PolarHBondContact OH-NH1 2.99Å; L379-R382 PolarHBondContact O-N 3.3Å; R382-S385 PolarHBondContact O-N 2.88Å; R382-F386 WeakPolarHBondContact O-CB 3.47Å; R382-F386 PolarHBondContact O-N 3.4Å |
| 383 | H | 63.3 | Low | 58.9 | Low | 119 Ų | 119 | 114 Ų | 114 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.6 | -48.2 | 174.1 | -83.6 | -120.9 | 0 | 0 | 0 | 110.9 | L379 S385 F386 Y387 | L379-H383 PolarHBondContact O-CD2 3.35Å; L379-H383 PolarHBondContact O-N 3.04Å; H383-S385 VanDerWaalsContact C-N 3.26Å; H383-S385 PolarHBondContact O-N 2.93Å; H383-F386 PolarHBondContact O-N 3.03Å; H383-F386 VanDerWaalsContact O-N 3.14Å; H383-Y387 WeakPolarHBondContact O-CD2 3.29Å; H383-Y387 PolarHBondContact O-N 3.23Å |
| 384 | K | 62.9 | Low | 57.8 | Low | 131 Ų | 131 | 116.6 Ų | 116.6 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.4 | -34 | 178.7 | -161.7 | 172.8 | -173.1 | 179.1 | 0 | 112.6 | K380 N381 R388 | K380-K384 VanDerWaalsContact O-CB 3.3Å; K380-K384 WeakPolarHBondContact O-CB 3.34Å; K380-K384 PolarHBondContact O-N 3.28Å; N381-K384 PolarHBondContact O-N 3.15Å; K384-R388 VanDerWaalsContact O-CB 3.28Å; K384-R388 WeakPolarHBondContact O-CB 3.49Å; K384-R388 PolarHBondContact O-N 3.1Å; K384-R388 VanDerWaalsContact O-N 3.11Å |
| 385 | S | 58.5 | Low | 56.8 | Low | 76 Ų | 76 | 121.8 Ų | 121.8 | 53% | 0.531 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71.7 | -41.4 | 173.7 | -161.5 | 0 | 0 | 0 | 0 | 112.4 | N381 R382 H383 R388 Y389 | N381-S385 VanDerWaalsContact O-CB 3.32Å; N381-S385 WeakPolarHBondContact O-CB 3.33Å; N381-S385 PolarHBondContact O-N 3.44Å; R382-S385 PolarHBondContact O-N 2.88Å; H383-S385 VanDerWaalsContact C-N 3.26Å; H383-S385 PolarHBondContact O-N 2.93Å; S385-R388 PolarHBondContact O-N 3.12Å; S385-Y389 WeakPolarHBondContact O-CB 3.48Å; S385-Y389 PolarHBondContact O-N 3.4Å |
| 386 | F | 60 | Low | 55.9 | Low | 139 Ų | 139 | 129 Ų | 129 | 61% | 0.61 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.8 | -48.4 | 176 | -174.1 | -101.4 | 0 | 0 | 0 | 111.6 | R382 H383 R388 Y389 T390 | R382-F386 WeakPolarHBondContact O-CB 3.47Å; R382-F386 PolarHBondContact O-N 3.4Å; H383-F386 PolarHBondContact O-N 3.03Å; H383-F386 VanDerWaalsContact O-N 3.14Å; F386-R388 VanDerWaalsContact C-N 3.28Å; F386-R388 PolarHBondContact O-N 3.17Å; F386-Y389 PolarHBondContact O-N 3.38Å; F386-Y389 VanDerWaalsContact O-N 3.14Å; F386-T390 HydrophobicContact CD1-CG2 4.39Å; F386-T390 HydrophobicContact CE1-CG2 4.06Å; F386-T390 HydrophobicContact CZ-CG2 4.16Å; F386-T390 PolarHBondContact O-N 2.94Å; F386-T390 PolarHBondContact O-OG1 3.21Å |
| 387 | Y | 54.6 | Low | 54.8 | Low | 164 Ų | 164 | 125.6 Ų | 125.6 | 64% | 0.643 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.6 | -36.1 | 173.8 | -89.1 | -83 | 0 | 0 | 0 | 113.1 | H383 T390 S391 | H383-Y387 WeakPolarHBondContact O-CD2 3.29Å; H383-Y387 PolarHBondContact O-N 3.23Å; Y387-T390 WeakPolarHBondContact CA-OG1 3.49Å; Y387-T390 PolarHBondContact O-OG1 3.48Å; Y387-T390 VanDerWaalsContact O-OG1 3.09Å; Y387-S391 VanDerWaalsContact O-CB 3.31Å; Y387-S391 WeakPolarHBondContact O-CB 3.45Å; Y387-S391 PolarHBondContact O-N 3.03Å; Y387-S391 PolarHBondContact O-OG 2.99Å |
| 388 | R | 53.8 | Low | 53.5 | Low | 168 Ų | 168 | 126.9 Ų | 126.9 | 63% | 0.634 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -73 | -31.8 | 176.4 | -170.3 | -178.4 | -73.3 | 169.1 | -12.1 | 112.4 | K384 S385 F386 S391 S392 | K384-R388 VanDerWaalsContact O-CB 3.28Å; K384-R388 WeakPolarHBondContact O-CB 3.49Å; K384-R388 PolarHBondContact O-N 3.1Å; K384-R388 VanDerWaalsContact O-N 3.11Å; S385-R388 PolarHBondContact O-N 3.12Å; F386-R388 VanDerWaalsContact C-N 3.28Å; F386-R388 PolarHBondContact O-N 3.17Å; R388-S391 WeakPolarHBondContact CA-OG 3.5Å; R388-S391 PolarHBondContact O-OG 3.07Å; R388-S391 VanDerWaalsContact O-OG 3.11Å; R388-S392 VanDerWaalsContact O-CB 3.24Å; R388-S392 WeakPolarHBondContact O-CB 3.34Å; R388-S392 PolarHBondContact O-N 3.1Å |
| 389 | Y | 49.9 | Very low | 52.8 | Low | 169 Ų | 169 | 128.7 Ų | 128.7 | 66% | 0.663 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.1 | -45.4 | 174.2 | -165.8 | -96.6 | 0 | 0 | 0 | 110.9 | S385 F386 S391 S392 F393 | S385-Y389 WeakPolarHBondContact O-CB 3.48Å; S385-Y389 PolarHBondContact O-N 3.4Å; F386-Y389 PolarHBondContact O-N 3.38Å; F386-Y389 VanDerWaalsContact O-N 3.14Å; Y389-S391 PolarHBondContact O-N 3.03Å; Y389-S392 PolarHBondContact O-N 3.4Å; Y389-F393 PolarHBondContact O-N 2.95Å |
| 390 | T | 53.8 | Low | 51.8 | Low | 63 Ų | 63 | 133 Ų | 133 | 39% | 0.387 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -66.5 | -34.7 | 175.3 | 56.7 | 0 | 0 | 0 | 0 | 112.5 | F386 Y387 K394 | F386-T390 HydrophobicContact CD1-CG2 4.39Å; F386-T390 HydrophobicContact CE1-CG2 4.06Å; F386-T390 HydrophobicContact CZ-CG2 4.16Å; F386-T390 PolarHBondContact O-N 2.94Å; F386-T390 PolarHBondContact O-OG1 3.21Å; Y387-T390 WeakPolarHBondContact CA-OG1 3.49Å; Y387-T390 PolarHBondContact O-OG1 3.48Å; Y387-T390 VanDerWaalsContact O-OG1 3.09Å; T390-K394 PolarHBondContact O-N 3.13Å |
| 391 | S | 49.2 | Very low | 50.1 | Low | 58 Ų | 58 | 137.4 Ų | 137.4 | 41% | 0.406 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -70.6 | -39 | 173.2 | 74.7 | 0 | 0 | 0 | 0 | 112.7 | Y387 R388 Y389 F393 K394 Q395 | Y387-S391 VanDerWaalsContact O-CB 3.31Å; Y387-S391 WeakPolarHBondContact O-CB 3.45Å; Y387-S391 PolarHBondContact O-N 3.03Å; Y387-S391 PolarHBondContact O-OG 2.99Å; R388-S391 WeakPolarHBondContact CA-OG 3.5Å; R388-S391 PolarHBondContact O-OG 3.07Å; R388-S391 VanDerWaalsContact O-OG 3.11Å; Y389-S391 PolarHBondContact O-N 3.03Å; S391-F393 VanDerWaalsContact C-N 3.31Å; S391-F393 PolarHBondContact O-N 3.41Å; S391-K394 CarbonylContact O-C 3.28Å; S391-K394 WeakPolarHBondContact O-CA 3.44Å; S391-K394 WeakPolarHBondContact O-CB 3.45Å; S391-K394 PolarHBondContact O-N 3.21Å; S391-K394 VanDerWaalsContact O-N 3.13Å; S391-Q395 PolarHBondContact O-N 3.39Å; S391-Q395 VanDerWaalsContact O-N 3.11Å |
| 392 | S | 47.3 | Very low | 48.6 | Very low | 66 Ų | 66 | 138.5 Ų | 138.5 | 46% | 0.462 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -67.6 | -30.9 | 177.1 | -172.5 | 0 | 0 | 0 | 0 | 112.6 | R388 Y389 K394 Q395 | R388-S392 VanDerWaalsContact O-CB 3.24Å; R388-S392 WeakPolarHBondContact O-CB 3.34Å; R388-S392 PolarHBondContact O-N 3.1Å; Y389-S392 PolarHBondContact O-N 3.4Å; S392-K394 VanDerWaalsContact C-N 3.34Å; S392-Q395 PolarHBondContact O-N 3.32Å |
| 393 | F | 47.8 | Very low | 47 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 72% | 0.719 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -69.3 | -34.9 | 171.3 | -147.8 | -93 | 0 | 0 | 0 | 111.3 | Y389 S391 Q395 R396 | Y389-F393 PolarHBondContact O-N 2.95Å; S391-F393 VanDerWaalsContact C-N 3.31Å; S391-F393 PolarHBondContact O-N 3.41Å; F393-Q395 VanDerWaalsContact C-N 3.25Å; F393-Q395 PolarHBondContact O-N 2.75Å; F393-R396 PolarHBondContact O-N 3Å |
| 394 | K | 43.8 | Very low | 45.4 | Very low | 185 Ų | 185 | 135 Ų | 135 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -10.5 | 174 | -133.6 | -180 | -174.7 | -173.4 | 0 | 114.6 | T390 S391 S392 | T390-K394 PolarHBondContact O-N 3.13Å; S391-K394 CarbonylContact O-C 3.28Å; S391-K394 WeakPolarHBondContact O-CA 3.44Å; S391-K394 WeakPolarHBondContact O-CB 3.45Å; S391-K394 PolarHBondContact O-N 3.21Å; S391-K394 VanDerWaalsContact O-N 3.13Å; S392-K394 VanDerWaalsContact C-N 3.34Å |
| 395 | Q | 44.5 | Very low | 44 | Very low | 161 Ų | 161 | 138.7 Ų | 138.7 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 2.2 | 176.1 | -97.3 | 179.1 | -28 | 0 | 0 | 113.9 | S391 S392 F393 | S391-Q395 PolarHBondContact O-N 3.39Å; S391-Q395 VanDerWaalsContact O-N 3.11Å; S392-Q395 PolarHBondContact O-N 3.32Å; F393-Q395 VanDerWaalsContact C-N 3.25Å; F393-Q395 PolarHBondContact O-N 2.75Å |
| 396 | R | 39.9 | Very low | 42.5 | Very low | 225 Ų | 225 | 141 Ų | 141 | 85% | 0.849 | 73% | 0.725 | S | S | * | * | trans | -104.3 | 54.1 | 170.1 | -90 | -172.9 | 170.1 | 177.7 | -3.7 | 111.9 | F393 | F393-R396 PolarHBondContact O-N 3Š| ||
| 397 | T | 40.7 | Very low | 41.1 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | trans | -79.6 | 128.8 | 146.6 | 37.1 | 0 | 0 | 0 | 0 | 107.8 | S399 | T397-S399 PolarHBondContact O-N 3.44Š| ||
| 398 | P | 38 | Very low | 39.7 | Very low | 111 Ų | 111 | 137 Ų | 137 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | trans | -67.6 | 133 | 178.9 | 26 | -31.2 | 0 | 0 | 0 | 110.2 | L400 | P398-L400 PolarHBondContact O-N 3.11Š| ||
| 399 | S | 44.8 | Very low | 38.4 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | trans | -71.2 | 93.7 | 170.4 | 54.4 | 0 | 0 | 0 | 0 | 109.9 | T397 | T397-S399 PolarHBondContact O-N 3.44Š| ||
| 400 | L | 40.6 | Very low | 37.3 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | trans | -129.4 | 94.7 | 168.1 | -93.3 | 167.4 | 0 | 0 | 0 | 107.9 | P398 | P398-L400 PolarHBondContact O-N 3.11Š| ||
| 401 | Y | 31.5 | Very low | 36 | Very low | 241 Ų | 241 | 133.9 Ų | 133.9 | 95% | 0.945 | 76% | 0.763 | S | S | * | * | trans | -176 | 86.1 | 148.7 | -91.5 | -57.9 | 0 | 0 | 0 | 109.9 | ||||
| 402 | S | 32.9 | Very low | 35 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -171.4 | 87.4 | 145.9 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 403 | C | 28.5 | Very low | 34 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | trans | -159.3 | 133.1 | 152.3 | -160.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 404 | G | 30.9 | Very low | 33 | Very low | 69 Ų | 69 | 145.8 Ų | 145.8 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | 50.9 | 106.1 | 142.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | S406 | G404-S406 PolarHBondContact O-N 3.16Š| ||
| 405 | K | 32.1 | Very low | 32.1 | Very low | 208 Ų | 208 | 145 Ų | 145 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | trans | -58.6 | 131.4 | 155.1 | -63.5 | 173.9 | 179.1 | 176.8 | 0 | 109.8 | ||||
| 406 | S | 29 | Very low | 31.3 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | trans | -162.6 | 146.5 | 141.9 | -83 | 0 | 0 | 0 | 0 | 109.7 | G404 | G404-S406 PolarHBondContact O-N 3.16Š| ||
| 407 | A | 28.8 | Very low | 30.8 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -88.2 | 152 | -166 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 408 | S | 26.3 | Very low | 30.4 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | 160.5 | 150.8 | 109.5 | -167.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 409 | S | 26.8 | Very low | 30.1 | Very low | 96 Ų | 96 | 142.9 Ų | 142.9 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | trans | 71.5 | 97.8 | 148.3 | -179 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 410 | S | 26.9 | Very low | 29.5 | Very low | 90 Ų | 90 | 144 Ų | 144 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | 92.2 | 114.9 | 122 | -54.9 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 411 | N | 27 | Very low | 29.1 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | 61.8 | 127 | 137.2 | -48.6 | -15.2 | 0 | 0 | 0 | 117.3 | ||||
| 412 | Q | 28 | Very low | 29 | Very low | 185 Ų | 185 | 139.6 Ų | 139.6 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | cis | -171.3 | 160.3 | 38.2 | -161.5 | 157.7 | -9.9 | 0 | 0 | 110.9 | ||||
| 413 | F | 26.1 | Very low | 29 | Very low | 179 Ų | 179 | 136.2 Ų | 136.2 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -49 | 160 | 158.7 | -94 | -130.4 | 0 | 0 | 0 | 111.4 | ||||
| 414 | E | 26.7 | Very low | 29.2 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | cis | -156.1 | 177 | 23.4 | -154 | 153.5 | -164.8 | 0 | 0 | 113.2 | ||||
| 415 | F | 24.9 | Very low | 29.2 | Very low | 169 Ų | 169 | 141 Ų | 141 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -81.8 | 148.1 | -177.6 | -171.2 | -100.6 | 0 | 0 | 0 | 113.2 | S417 | F415-S417 WeakPolarHBondContact CE1-OG 3.43Å; F415-S417 WeakPolarHBondContact CZ-OG 3.26Å | ||
| 416 | N | 26.3 | Very low | 29.3 | Very low | 169 Ų | 169 | 142.7 Ų | 142.7 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | trans | -156 | 148.9 | 153 | -111.3 | -31.1 | 0 | 0 | 0 | 113.7 | ||||
| 417 | S | 29.5 | Very low | 29.5 | Very low | 75 Ų | 75 | 140 Ų | 140 | 52% | 0.524 | 78% | 0.779 | S | S | . | * | trans | -129.6 | 132.5 | -168.6 | -67.2 | 0 | 0 | 0 | 0 | 113.5 | F415 | F415-S417 WeakPolarHBondContact CE1-OG 3.43Å; F415-S417 WeakPolarHBondContact CZ-OG 3.26Å | ||
| 418 | E | 32.9 | Very low | 29.8 | Very low | 189 Ų | 189 | 148.2 Ų | 148.2 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -146.8 | 139.7 | 164.7 | -81.3 | -167 | 137.1 | 0 | 0 | 108.5 | ||||
| 419 | I | 32.8 | Very low | 30 | Very low | 138 Ų | 138 | 149.9 Ų | 149.9 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | cis | 70.9 | 111.5 | 0.5 | -55.6 | 178.3 | 0 | 0 | 0 | 113.1 | ||||
| 420 | L | 31.8 | Very low | 30.1 | Very low | 147 Ų | 147 | 152.7 Ų | 152.7 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | cis | -173.7 | 166.3 | 3.1 | -154.9 | 75.2 | 0 | 0 | 0 | 110.8 | ||||
| 421 | V | 31.3 | Very low | 30.3 | Very low | 113 Ų | 113 | 156.2 Ų | 156.2 | 69% | 0.685 | 82% | 0.816 | S | S | * | * | trans | 53.7 | 130.1 | 158.2 | -143.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 422 | M | 30.3 | Very low | 30.5 | Very low | 181 Ų | 181 | 156.6 Ų | 156.6 | 89% | 0.892 | 82% | 0.817 | S | S | * | * | 154.8 | 147.5 | 119.2 | -81.4 | -162.4 | -173.4 | 0 | 0 | 111.2 | |||||
| 423 | G | 31.9 | Very low | 30.7 | Very low | 56 Ų | 56 | 154.8 Ų | 154.8 | 58% | 0.577 | 81% | 0.814 | S | S | * | * | cis | 126.2 | 111.8 | 0.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 424 | T | 33.8 | Very low | 31 | Very low | 143 Ų | 143 | 153.2 Ų | 153.2 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | 49 | 114.9 | 160.9 | 43.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 425 | V | 31.2 | Very low | 31.3 | Very low | 156 Ų | 156 | 151.7 Ų | 151.7 | 95% | 0.945 | 82% | 0.816 | S | S | * | * | trans | -111.7 | 122.6 | 156 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 426 | R | 32.6 | Very low | 31.8 | Very low | 244 Ų | 244 | 150.4 Ų | 150.4 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -155.3 | 123.7 | 171.3 | -160.7 | -173.9 | -158.3 | -163.6 | 5 | 110.3 | ||||
| 427 | G | 33.8 | Very low | 32.2 | Very low | 70 Ų | 70 | 148.8 Ų | 148.8 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | 86.4 | 100.7 | 158.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 428 | Q | 34.7 | Very low | 32.5 | Very low | 274 Ų | 274 | 155.5 Ų | 155.5 | 100% | 1.28 | 84% | 0.842 | S | S | * | * | -118.5 | 0 | 107.9 | -77.1 | -173 | -21.5 | 0 | 0 | 107.7 |
Retrieved 428 of 428 residues in 1265.7 ms
(Link to these results)