| 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 | 37 | Very low | 39 | Very low | 218 Ų | 218 | 128.6 Ų | 128.6 | 100% | 1.074 | 71% | 0.712 | S | S | * | * | 0 | 115.2 | 0 | -63.2 | -55.6 | 164.7 | 0 | 0 | 106.5 | V3 | M1-V3 HydrophobicContact SD-CG2 3.92Š| |||
| 2 | P | 41.4 | Very low | 39.4 | Very low | 135 Ų | 135 | 124.9 Ų | 124.9 | 88% | 0.877 | 70% | 0.695 | S | S | * | * | -122.1 | -177 | 63.2 | 39.4 | -31.6 | 0 | 0 | 0 | 116 | |||||
| 3 | V | 32.6 | Very low | 39.4 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | trans | -148 | 143 | -164.9 | 173.7 | 0 | 0 | 0 | 0 | 105.4 | M1 | M1-V3 HydrophobicContact SD-CG2 3.92Š| ||
| 4 | S | 35.9 | Very low | 39.8 | Very low | 88 Ų | 88 | 126.6 Ų | 126.6 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | cis | -155.8 | 170.2 | 14.1 | 42.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 5 | N | 32.6 | Very low | 40.2 | Very low | 130 Ų | 130 | 123.2 Ų | 123.2 | 70% | 0.695 | 67% | 0.665 | S | S | * | * | trans | 63.7 | 100.1 | 145.8 | -69.6 | -32.3 | 0 | 0 | 0 | 119 | ||||
| 6 | D | 42.1 | Very low | 40.2 | Very low | 147 Ų | 147 | 122.6 Ų | 122.6 | 79% | 0.786 | 66% | 0.657 | S | S | * | * | trans | -120.3 | 78.6 | 148.2 | -131.2 | -16.2 | 0 | 0 | 0 | 110.4 | T8 | D6-T8 HydrophobicContact CB-CG2 4.35Å; D6-T8 PolarHBondContact O-N 3.46Å; D6-T8 WeakPolarHBondContact OD1-CG2 3.24Å | ||
| 7 | K | 36.4 | Very low | 40.4 | Very low | 187 Ų | 187 | 121.4 Ų | 121.4 | 81% | 0.813 | 65% | 0.649 | S | S | * | * | trans | -76.9 | 62.3 | 170.4 | -79.8 | -176.7 | 175.1 | 176.1 | 0 | 109.8 | N9 | K7-N9 PolarHBondContact O-N 3.15Š| ||
| 8 | T | 48.2 | Very low | 40.9 | Very low | 77 Ų | 77 | 118.1 Ų | 118.1 | 47% | 0.472 | 64% | 0.637 | S | S | . | * | trans | -68.1 | 115.1 | 177.8 | 58.8 | 0 | 0 | 0 | 0 | 110.3 | D6 | D6-T8 HydrophobicContact CB-CG2 4.35Å; D6-T8 PolarHBondContact O-N 3.46Å; D6-T8 WeakPolarHBondContact OD1-CG2 3.24Å | ||
| 9 | N | 41.4 | Very low | 41.3 | Very low | 111 Ų | 111 | 121.6 Ų | 121.6 | 59% | 0.594 | 64% | 0.64 | S | S | * | * | trans | -53.1 | 120.3 | -177.7 | -84.2 | -65.9 | 0 | 0 | 0 | 112.4 | K7 N11 V12 | K7-N9 PolarHBondContact O-N 3.15Å; N9-N11 PolarHBondContact O-N 3.31Å; N9-N11 VanDerWaalsContact O-N 3.11Å; N9-V12 HydrophobicContact CB-CG2 4.2Å; N9-V12 PolarHBondContact O-N 2.89Å; N9-V12 VanDerWaalsContact O-N 3.08Å | ||
| 10 | P | 42.9 | Very low | 41.4 | Very low | 89 Ų | 89 | 123.4 Ų | 123.4 | 58% | 0.578 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -60.8 | -26 | 178.3 | 23.8 | -33.3 | 0 | 0 | 0 | 112.5 | V12 R13 I14 | P10-V12 PolarHBondContact O-N 2.89Å; P10-R13 PolarHBondContact O-N 3.03Å; P10-I14 WeakPolarHBondContact O-CG1 3.45Å; P10-I14 PolarHBondContact O-N 3.05Å |
| 11 | N | 38.8 | Very low | 41.4 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 60% | 0.604 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -58.1 | -24.5 | 175.2 | -75.7 | -32.7 | 0 | 0 | 0 | 114.6 | N9 V15 | N9-N11 PolarHBondContact O-N 3.31Å; N9-N11 VanDerWaalsContact O-N 3.11Å; N11-V15 WeakPolarHBondContact O-CG2 3.48Å; N11-V15 PolarHBondContact O-N 2.87Å |
| 12 | V | 43.3 | Very low | 41.7 | Very low | 84 Ų | 84 | 117.3 Ų | 117.3 | 51% | 0.509 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -73.4 | -49.2 | 177.9 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | N9 P10 I14 V15 E16 | N9-V12 HydrophobicContact CB-CG2 4.2Å; N9-V12 PolarHBondContact O-N 2.89Å; N9-V12 VanDerWaalsContact O-N 3.08Å; P10-V12 PolarHBondContact O-N 2.89Å; V12-I14 VanDerWaalsContact C-N 3.33Å; V12-I14 PolarHBondContact O-N 3.42Å; V12-V15 PolarHBondContact O-N 3.27Å; V12-E16 PolarHBondContact O-N 3Å |
| 13 | R | 39.5 | Very low | 42.1 | Very low | 169 Ų | 169 | 114.1 Ų | 114.1 | 64% | 0.638 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.2 | -38 | -179.8 | -62.9 | -173.4 | -176.3 | -173.9 | 2.6 | 112.2 | P10 V15 E16 I17 | P10-R13 PolarHBondContact O-N 3.03Å; R13-V15 VanDerWaalsContact C-N 3.34Å; R13-V15 PolarHBondContact O-N 2.94Å; R13-E16 PolarHBondContact O-N 3.46Å; R13-I17 WeakPolarHBondContact O-CG1 3.45Å; R13-I17 PolarHBondContact O-N 3.14Å; R13-I17 VanDerWaalsContact O-N 3.11Å |
| 14 | I | 44.9 | Very low | 42.4 | Very low | 104 Ų | 104 | 114 Ų | 114 | 53% | 0.533 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.2 | -35 | 177.9 | -63.2 | 165.8 | 0 | 0 | 0 | 111.7 | P10 V12 S18 | P10-I14 WeakPolarHBondContact O-CG1 3.45Å; P10-I14 PolarHBondContact O-N 3.05Å; V12-I14 VanDerWaalsContact C-N 3.33Å; V12-I14 PolarHBondContact O-N 3.42Å; I14-S18 WeakPolarHBondContact O-CB 3.4Å; I14-S18 PolarHBondContact O-N 3.32Å; I14-S18 PolarHBondContact O-OG 3.09Å |
| 15 | V | 45.9 | Very low | 42.8 | Very low | 76 Ų | 76 | 115.7 Ų | 115.7 | 46% | 0.461 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -72.9 | -28.3 | 176.7 | 169.4 | 0 | 0 | 0 | 0 | 112.5 | N11 V12 R13 S18 R19 | N11-V15 WeakPolarHBondContact O-CG2 3.48Å; N11-V15 PolarHBondContact O-N 2.87Å; V12-V15 PolarHBondContact O-N 3.27Å; R13-V15 VanDerWaalsContact C-N 3.34Å; R13-V15 PolarHBondContact O-N 2.94Å; V15-S18 WeakPolarHBondContact CA-OG 3.27Å; V15-S18 PolarHBondContact O-OG 3.05Å; V15-R19 WeakPolarHBondContact O-CG 3.46Å |
| 16 | E | 41 | Very low | 43.4 | Very low | 114 Ų | 114 | 117.6 Ų | 117.6 | 53% | 0.533 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -77.1 | -45.9 | 176.7 | -70.3 | 178.6 | 158.4 | 0 | 0 | 111.7 | V12 R13 S18 R19 F20 | V12-E16 PolarHBondContact O-N 3Å; R13-E16 PolarHBondContact O-N 3.46Å; E16-S18 VanDerWaalsContact C-N 3.35Å; E16-S18 PolarHBondContact O-N 2.97Å; E16-R19 WeakPolarHBondContact O-CB 3.45Å; E16-R19 PolarHBondContact O-N 3.42Å; E16-F20 WeakPolarHBondContact O-CD2 3.35Å |
| 17 | I | 43.7 | Very low | 43.5 | Very low | 101 Ų | 101 | 120.7 Ų | 120.7 | 52% | 0.518 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.8 | -45.2 | 177.5 | -64.2 | 165.5 | 0 | 0 | 0 | 110.8 | R13 R19 F20 Y21 | R13-I17 WeakPolarHBondContact O-CG1 3.45Å; R13-I17 PolarHBondContact O-N 3.14Å; R13-I17 VanDerWaalsContact O-N 3.11Å; I17-R19 PolarHBondContact O-N 3.34Å; I17-F20 PolarHBondContact O-N 2.88Å; I17-Y21 HydrophobicContact CG2-CD2 3.78Å; I17-Y21 HydrophobicContact CG2-CE2 3.72Å; I17-Y21 WeakPolarHBondContact O-CD2 3.47Å; I17-Y21 PolarHBondContact O-N 3.04Å |
| 18 | S | 48.7 | Very low | 43.7 | Very low | 63 Ų | 63 | 116.3 Ų | 116.3 | 44% | 0.441 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.3 | -21.6 | 179.8 | 51.5 | 0 | 0 | 0 | 0 | 114.6 | I14 V15 E16 S22 | I14-S18 WeakPolarHBondContact O-CB 3.4Å; I14-S18 PolarHBondContact O-N 3.32Å; I14-S18 PolarHBondContact O-OG 3.09Å; V15-S18 WeakPolarHBondContact CA-OG 3.27Å; V15-S18 PolarHBondContact O-OG 3.05Å; E16-S18 VanDerWaalsContact C-N 3.35Å; E16-S18 PolarHBondContact O-N 2.97Å; S18-S22 PolarHBondContact O-N 2.99Å; S18-S22 PolarHBondContact O-OG 3.03Å |
| 19 | R | 48.3 | Very low | 43.3 | Very low | 184 Ų | 184 | 116.1 Ų | 116.1 | 69% | 0.694 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -73.6 | -28.5 | 172.2 | -76.8 | 174.5 | 172.9 | -163.9 | -0.5 | 113.5 | V15 E16 I17 S22 | V15-R19 WeakPolarHBondContact O-CG 3.46Å; E16-R19 WeakPolarHBondContact O-CB 3.45Å; E16-R19 PolarHBondContact O-N 3.42Å; I17-R19 PolarHBondContact O-N 3.34Å; R19-S22 PolarHBondContact O-OG 3.24Å |
| 20 | F | 43 | Very low | 43.2 | Very low | 157 Ų | 157 | 119.1 Ų | 119.1 | 69% | 0.689 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -76.8 | -48.4 | 175.3 | -77.9 | -82.3 | 0 | 0 | 0 | 111.3 | E16 I17 S22 S23 | E16-F20 WeakPolarHBondContact O-CD2 3.35Å; I17-F20 PolarHBondContact O-N 2.88Å; F20-S22 PolarHBondContact O-N 3.41Å; F20-S23 PolarHBondContact O-N 2.9Å; F20-S23 PolarHBondContact O-OG 3.41Å |
| 21 | Y | 41.3 | Very low | 42.8 | Very low | 153 Ų | 153 | 121.4 Ų | 121.4 | 60% | 0.6 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.2 | -35.7 | -176.8 | -81.3 | -84.9 | 0 | 0 | 0 | 114.4 | I17 S23 L24 L25 | I17-Y21 HydrophobicContact CG2-CD2 3.78Å; I17-Y21 HydrophobicContact CG2-CE2 3.72Å; I17-Y21 WeakPolarHBondContact O-CD2 3.47Å; I17-Y21 PolarHBondContact O-N 3.04Å; Y21-S23 VanDerWaalsContact C-N 3.26Å; Y21-S23 PolarHBondContact O-N 3.37Å; Y21-L24 PolarHBondContact O-N 3.43Å; Y21-L24 VanDerWaalsContact O-N 3.11Å; Y21-L25 PolarHBondContact O-N 2.9Å |
| 22 | S | 44.5 | Very low | 42.5 | Very low | 61 Ų | 61 | 121.1 Ų | 121.1 | 43% | 0.427 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -62.5 | -31.5 | 178.5 | 39.9 | 0 | 0 | 0 | 0 | 113.2 | S18 R19 F20 L24 E26 | S18-S22 PolarHBondContact O-N 2.99Å; S18-S22 PolarHBondContact O-OG 3.03Å; R19-S22 PolarHBondContact O-OG 3.24Å; F20-S22 PolarHBondContact O-N 3.41Å; S22-L24 VanDerWaalsContact C-N 3.3Å; S22-L24 PolarHBondContact O-N 3.19Å; S22-E26 PolarHBondContact O-N 3.48Å |
| 23 | S | 48.5 | Very low | 42.1 | Very low | 69 Ų | 69 | 123.2 Ų | 123.2 | 48% | 0.483 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -75.7 | -14.5 | 176.5 | 74.1 | 0 | 0 | 0 | 0 | 114.9 | F20 Y21 | F20-S23 PolarHBondContact O-N 2.9Å; F20-S23 PolarHBondContact O-OG 3.41Å; Y21-S23 VanDerWaalsContact C-N 3.26Å; Y21-S23 PolarHBondContact O-N 3.37Å |
| 24 | L | 40.4 | Very low | 41.9 | Very low | 116 Ų | 116 | 118.6 Ų | 118.6 | 61% | 0.607 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -93.8 | -43.4 | 175.3 | -78.6 | 157.1 | 0 | 0 | 0 | 111.2 | Y21 S22 E26 R27 | Y21-L24 PolarHBondContact O-N 3.43Å; Y21-L24 VanDerWaalsContact O-N 3.11Å; S22-L24 VanDerWaalsContact C-N 3.3Å; S22-L24 PolarHBondContact O-N 3.19Å; L24-E26 VanDerWaalsContact C-N 3.35Å; L24-E26 PolarHBondContact O-N 2.82Å; L24-R27 PolarHBondContact O-N 2.9Å; L24-R27 VanDerWaalsContact O-N 3.16Å |
| 25 | L | 42.6 | Very low | 41.4 | Very low | 125 Ų | 125 | 121.4 Ų | 121.4 | 65% | 0.654 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -64 | -33.5 | -179.7 | -115.2 | 73.5 | 0 | 0 | 0 | 113.8 | Y21 R27 S28 | Y21-L25 PolarHBondContact O-N 2.9Å; L25-R27 PolarHBondContact O-N 3.21Å; L25-S28 PolarHBondContact O-OG 3.47Å |
| 26 | E | 46.6 | Very low | 40.9 | Very low | 169 Ų | 169 | 127 Ų | 127 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -4.6 | 177.9 | -70.9 | -172 | 164.3 | 0 | 0 | 113.6 | S22 L24 | S22-E26 PolarHBondContact O-N 3.48Å; L24-E26 VanDerWaalsContact C-N 3.35Å; L24-E26 PolarHBondContact O-N 2.82Å |
| 27 | R | 44.3 | Very low | 40.9 | Very low | 213 Ų | 213 | 126.9 Ų | 126.9 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | -11.8 | -178.7 | -58.1 | -177 | 85.2 | 149.7 | 4.6 | 114.5 | L24 L25 | L24-R27 PolarHBondContact O-N 2.9Å; L24-R27 VanDerWaalsContact O-N 3.16Å; L25-R27 PolarHBondContact O-N 3.21Å |
| 28 | S | 40 | Very low | 40.6 | Very low | 94 Ų | 94 | 131 Ų | 131 | 66% | 0.657 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -95 | -6.6 | -179 | 57.7 | 0 | 0 | 0 | 0 | 114.4 | L25 | L25-S28 PolarHBondContact O-OG 3.47Š|
| 29 | G | 38.9 | Very low | 39.8 | Very low | 74 Ų | 74 | 134.1 Ų | 134.1 | 76% | 0.763 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -97.2 | 24.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 30 | Q | 40.1 | Very low | 39.1 | Very low | 174 Ų | 174 | 131 Ų | 131 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -140.3 | 25.4 | -164.5 | -139.2 | 168.7 | 36.9 | 0 | 0 | 116.9 | ||
| 31 | T | 33.9 | Very low | 38.6 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | trans | -152 | 102.2 | 169.5 | 48.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 32 | A | 34 | Very low | 38.3 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 88% | 0.884 | 76% | 0.762 | S | S | * | * | trans | 173.7 | 82.4 | 154.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 33 | S | 33.9 | Very low | 37.9 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -156.7 | 102.6 | 162.1 | 63.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 34 | G | 34.7 | Very low | 37.2 | Very low | 71 Ų | 71 | 139 Ų | 139 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 165.9 | 114.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 35 | D | 35.6 | Very low | 37.3 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -60.6 | 139.1 | -172.6 | -64.3 | -70.1 | 0 | 0 | 0 | 113.5 | ||||
| 36 | E | 35.9 | Very low | 36.7 | Very low | 194 Ų | 194 | 144.5 Ų | 144.5 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | trans | -104.1 | 110.5 | 161.5 | -65.3 | -158.6 | 157.5 | 0 | 0 | 109.7 | ||||
| 37 | S | 39.8 | Very low | 36.3 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | trans | -106.8 | 98.3 | 170.2 | 32.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 38 | Q | 37.6 | Very low | 35.6 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 87% | 0.869 | 83% | 0.831 | S | S | * | * | trans | 26 | 115.7 | 146.5 | -60.4 | -179.2 | -21.7 | 0 | 0 | 118.4 | ||||
| 39 | S | 32 | Very low | 35.4 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | -178.4 | 152 | 106.1 | 39.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 40 | S | 33.4 | Very low | 35 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | -99 | 150.2 | -173.5 | 45.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 41 | S | 33.5 | Very low | 34.5 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 78% | 0.783 | 83% | 0.829 | S | S | * | * | trans | -165.9 | 136.5 | 130.9 | 46.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 42 | S | 33.9 | Very low | 34.9 | Very low | 103 Ų | 103 | 138 Ų | 138 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | 7.6 | 129.7 | 155 | 46.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 43 | R | 36.1 | Very low | 35.1 | Very low | 244 Ų | 244 | 136.2 Ų | 136.2 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | -162.9 | 132.7 | 105.7 | -105.5 | 167.6 | -172.7 | 179.9 | 2.7 | 112.5 | |||||
| 44 | D | 34.2 | Very low | 35.3 | Very low | 149 Ų | 149 | 138 Ų | 138 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -68.2 | 147.4 | 173 | -48.9 | -79.3 | 0 | 0 | 0 | 111.7 | ||||
| 45 | L | 41.5 | Very low | 35.4 | Very low | 174 Ų | 174 | 142 Ų | 142 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | trans | -164.9 | 119.9 | 143 | -109.5 | 160.3 | 0 | 0 | 0 | 109.8 | ||||
| 46 | E | 31.3 | Very low | 35.7 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -69.3 | 134.4 | -177.8 | -58.7 | 160.8 | 119.4 | 0 | 0 | 111.4 | ||||
| 47 | S | 38.5 | Very low | 35.8 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -173.2 | 131 | 141.6 | 33.3 | 0 | 0 | 0 | 0 | 113 | V49 | S47-V49 PolarHBondContact O-N 3.26Š| ||
| 48 | N | 29.2 | Very low | 35.6 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 91% | 0.914 | 77% | 0.771 | S | S | * | * | trans | -33.5 | 109.3 | 175.3 | -70.8 | -35.4 | 0 | 0 | 0 | 116.1 | ||||
| 49 | V | 35.8 | Very low | 35.9 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | -134.1 | 131 | 150.4 | -176.7 | 0 | 0 | 0 | 0 | 108.6 | S47 S51 | S47-V49 PolarHBondContact O-N 3.26Å; V49-S51 PolarHBondContact O-N 3.26Å | ||
| 50 | C | 31 | Very low | 36.6 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | trans | -51.9 | 102 | -177.3 | -168.3 | 0 | 0 | 0 | 0 | 112.6 | T52 | C50-T52 PolarHBondContact O-N 2.94Š| ||
| 51 | S | 29.3 | Very low | 36.8 | Very low | 92 Ų | 92 | 142.2 Ų | 142.2 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | trans | -70.8 | 88.4 | -177 | -69.3 | 0 | 0 | 0 | 0 | 112.9 | V49 S53 | V49-S51 PolarHBondContact O-N 3.26Å; S51-S53 PolarHBondContact O-N 3.01Å | ||
| 52 | T | 40.9 | Very low | 36.8 | Very low | 103 Ų | 103 | 147 Ų | 147 | 63% | 0.632 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 14.4 | 165.6 | 55.2 | 0 | 0 | 0 | 0 | 113.1 | C50 | C50-T52 PolarHBondContact O-N 2.94Š|
| 53 | S | 39.5 | Very low | 37.1 | Very low | 71 Ų | 71 | 148.7 Ų | 148.7 | 50% | 0.497 | 77% | 0.769 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.1 | -22.6 | -176.7 | 49.9 | 0 | 0 | 0 | 0 | 114.4 | S51 | S51-S53 PolarHBondContact O-N 3.01Š|
| 54 | E | 37.7 | Very low | 37.3 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -79.4 | -32.7 | -178.7 | -65.8 | -175.1 | 156.8 | 0 | 0 | 112.8 | L56 | E54-L56 PolarHBondContact O-N 3.48Š|
| 55 | M | 37.8 | Very low | 37.5 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 77% | 0.768 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -70.7 | -8.5 | 179.4 | -70.5 | -175.3 | 71.2 | 0 | 0 | 114.6 | ||
| 56 | L | 41.7 | Very low | 37.5 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -99.1 | -1.7 | -175.1 | -67.2 | 175.5 | 0 | 0 | 0 | 114.2 | E54 | E54-L56 PolarHBondContact O-N 3.48Š|
| 57 | N | 36.4 | Very low | 38.1 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -93.1 | -6.4 | 178.7 | -72.9 | -28.9 | 0 | 0 | 0 | 114.5 | W59 | N57-W59 VanDerWaalsContact C-N 3.32Å; N57-W59 PolarHBondContact O-N 3.45Å |
| 58 | S | 37.5 | Very low | 38.2 | Very low | 87 Ų | 87 | 137.6 Ų | 137.6 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -82.9 | 4.3 | -174.3 | 59.2 | 0 | 0 | 0 | 0 | 115.8 | ||
| 59 | W | 42.7 | Very low | 39 | Very low | 224 Ų | 224 | 135.6 Ų | 135.6 | 85% | 0.848 | 74% | 0.738 | S | S | * | * | trans | -122.5 | 48.9 | -175 | -65.5 | 87.6 | 0 | 0 | 0 | 113.2 | N57 | N57-W59 VanDerWaalsContact C-N 3.32Å; N57-W59 PolarHBondContact O-N 3.45Å | ||
| 60 | R | 45.8 | Very low | 39.2 | Very low | 212 Ų | 212 | 138.3 Ų | 138.3 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | trans | -78.7 | 126.3 | 162.5 | -72.7 | -164.6 | -179.9 | -139.7 | 3.3 | 110 | F62 | R60-F62 PolarHBondContact O-N 3.31Š| ||
| 61 | P | 38.1 | Very low | 39.9 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | -77 | 110.9 | 174.3 | -4.5 | 21.2 | 0 | 0 | 0 | 110.4 | D63 | P61-D63 PolarHBondContact O-N 3.42Å; P61-D63 VanDerWaalsContact O-N 3.11Å | ||
| 62 | F | 34.7 | Very low | 40.1 | Very low | 214 Ų | 214 | 137.8 Ų | 137.8 | 94% | 0.939 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 43.5 | 49.5 | 158.6 | -68.8 | -82.5 | 0 | 0 | 0 | 117.7 | R60 | R60-F62 PolarHBondContact O-N 3.31Š|
| 63 | D | 38.9 | Very low | 40.2 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -103.4 | 123 | 154.3 | -79.9 | -40.6 | 0 | 0 | 0 | 108.5 | P61 | P61-D63 PolarHBondContact O-N 3.42Å; P61-D63 VanDerWaalsContact O-N 3.11Å | ||
| 64 | V | 41.8 | Very low | 40 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -13.1 | 117.2 | 179.6 | -177.3 | 0 | 0 | 0 | 0 | 115.4 | H66 | V64-H66 PolarHBondContact O-N 3.08Š| ||
| 65 | A | 36.7 | Very low | 40.5 | Very low | 82 Ų | 82 | 138.8 Ų | 138.8 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -63.3 | 102.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | E67 | A65-E67 PolarHBondContact O-N 2.69Š| ||
| 66 | H | 42.3 | Very low | 40.8 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | trans | -81 | 80.8 | 152.6 | -105.6 | -58.2 | 0 | 0 | 0 | 107.3 | V64 G68 | V64-H66 PolarHBondContact O-N 3.08Å; H66-G68 PolarHBondContact O-N 2.93Å | ||
| 67 | E | 44.6 | Very low | 41.3 | Very low | 152 Ų | 152 | 138 Ų | 138 | 71% | 0.71 | 77% | 0.774 | S | S | * | * | trans | -65.6 | 128 | 160.2 | -79.4 | 178.7 | 142.2 | 0 | 0 | 108 | A65 D69 | A65-E67 PolarHBondContact O-N 2.69Å; E67-D69 VanDerWaalsContact C-N 3.29Å; E67-D69 PolarHBondContact O-N 2.99Å; E67-D69 VanDerWaalsContact O-N 3.14Å | ||
| 68 | G | 39.2 | Very low | 42.3 | Very low | 79 Ų | 79 | 135.6 Ų | 135.6 | 81% | 0.814 | 77% | 0.767 | S | S | * | * | trans | -79.3 | 83.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | H66 | H66-G68 PolarHBondContact O-N 2.93Š| ||
| 69 | D | 45.9 | Very low | 43 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | trans | -100.2 | 103.2 | 168.6 | -91.1 | -14.5 | 0 | 0 | 0 | 109.7 | E67 A71 | E67-D69 VanDerWaalsContact C-N 3.29Å; E67-D69 PolarHBondContact O-N 2.99Å; E67-D69 VanDerWaalsContact O-N 3.14Å; D69-A71 HydrophobicContact CB-CB 4.47Å; D69-A71 PolarHBondContact O-N 2.8Å | ||
| 70 | D | 41.5 | Very low | 43.5 | Very low | 184 Ų | 184 | 129.9 Ų | 129.9 | 98% | 0.984 | 75% | 0.748 | S | S | * | * | trans | -68.3 | 74.9 | 161.8 | -78.7 | -49 | 0 | 0 | 0 | 109.5 | ||||
| 71 | A | 44.7 | Very low | 44.1 | Very low | 77 Ų | 77 | 127.1 Ų | 127.1 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | trans | -131.5 | 94.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | D69 S73 | D69-A71 HydrophobicContact CB-CB 4.47Å; D69-A71 PolarHBondContact O-N 2.8Å; A71-S73 PolarHBondContact O-N 3.31Å | ||
| 72 | S | 34.4 | Very low | 45 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | trans | -65.4 | 103.5 | 172.6 | 58.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 73 | S | 42.8 | Very low | 46.3 | Very low | 113 Ų | 113 | 124.2 Ų | 124.2 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | trans | -153.9 | 122.7 | 161.7 | -83.7 | 0 | 0 | 0 | 0 | 112.9 | A71 | A71-S73 PolarHBondContact O-N 3.31Š| ||
| 74 | T | 35.9 | Very low | 47.8 | Very low | 146 Ų | 146 | 120.5 Ų | 120.5 | 90% | 0.896 | 71% | 0.708 | S | S | * | * | trans | -87.6 | 112.7 | 177.3 | 49.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 75 | S | 47.2 | Very low | 49.1 | Very low | 102 Ų | 102 | 118.4 Ų | 118.4 | 71% | 0.713 | 69% | 0.692 | S | S | * | * | trans | -161.2 | 124.3 | 163.3 | 55.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 76 | D | 45.2 | Very low | 50.9 | Low | 124 Ų | 124 | 121.2 Ų | 121.2 | 66% | 0.663 | 69% | 0.691 | S | S | * | * | trans | 63.3 | 89.7 | 143.8 | -56.3 | -14 | 0 | 0 | 0 | 121.4 | S78 | D76-S78 PolarHBondContact O-N 2.95Š| ||
| 77 | L | 51.4 | Low | 52.4 | Low | 153 Ų | 153 | 115.1 Ų | 115.1 | 80% | 0.801 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | 1.6 | 171.2 | -77.4 | 152.3 | 0 | 0 | 0 | 116.5 | I80 | L77-I80 HydrophobicContact CD2-CD1 4.39Š|
| 78 | S | 58 | Low | 53.6 | Low | 81 Ų | 81 | 115.9 Ų | 115.9 | 57% | 0.566 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -40.7 | -174.6 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | D76 I80 | D76-S78 PolarHBondContact O-N 2.95Å; S78-I80 VanDerWaalsContact C-N 3.26Å; S78-I80 PolarHBondContact O-N 3.34Å |
| 79 | T | 51.8 | Low | 55.3 | Low | 84 Ų | 84 | 117.9 Ų | 117.9 | 52% | 0.515 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -74.4 | -10.6 | -173.8 | 55.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 80 | I | 52.5 | Low | 56.9 | Low | 108 Ų | 108 | 119.2 Ų | 119.2 | 55% | 0.554 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73.6 | -28.8 | -178.8 | -59.6 | 174.4 | 0 | 0 | 0 | 111.3 | L77 S78 | L77-I80 HydrophobicContact CD2-CD1 4.39Å; S78-I80 VanDerWaalsContact C-N 3.26Å; S78-I80 PolarHBondContact O-N 3.34Å |
| 81 | K | 58 | Low | 58.3 | Low | 154 Ų | 154 | 113.4 Ų | 113.4 | 67% | 0.67 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.2 | -43.4 | -175.8 | -71.5 | -176.9 | 178.4 | 176.4 | 0 | 113 | S84 L85 | K81-S84 WeakPolarHBondContact O-CB 3.5Å; K81-S84 PolarHBondContact O-N 2.66Å; K81-S84 VanDerWaalsContact O-N 3.14Å; K81-S84 PolarHBondContact O-OG 3.43Å; K81-L85 PolarHBondContact O-N 3.47Å |
| 82 | D | 57.7 | Low | 59.4 | Low | 114 Ų | 114 | 112.9 Ų | 112.9 | 61% | 0.61 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.2 | -40.4 | -175.8 | -63.5 | -27.1 | 0 | 0 | 0 | 112.1 | S84 L85 E86 | D82-S84 PolarHBondContact O-N 3.33Å; D82-L85 PolarHBondContact O-N 2.94Å; D82-E86 PolarHBondContact O-N 3.13Å |
| 83 | K | 62.6 | Low | 61.5 | Low | 150 Ų | 150 | 109.9 Ų | 109.9 | 65% | 0.652 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -56.3 | -33.5 | 171.8 | -67.1 | 179.4 | 179.7 | 177.5 | 0 | 112.2 | A87 | K83-A87 WeakPolarHBondContact O-CB 3.35Å; K83-A87 PolarHBondContact O-N 3.21Å; K83-A87 VanDerWaalsContact O-N 3.14Å |
| 84 | S | 70 | Confident | 63.2 | Low | 60 Ų | 60 | 107 Ų | 107 | 42% | 0.42 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -72.4 | -32.3 | 176 | 86.3 | 0 | 0 | 0 | 0 | 113.5 | K81 D82 R88 | K81-S84 WeakPolarHBondContact O-CB 3.5Å; K81-S84 PolarHBondContact O-N 2.66Å; K81-S84 VanDerWaalsContact O-N 3.14Å; K81-S84 PolarHBondContact O-OG 3.43Å; D82-S84 PolarHBondContact O-N 3.33Å; S84-R88 WeakPolarHBondContact O-CB 3.36Å; S84-R88 VanDerWaalsContact O-CG 3.25Å; S84-R88 WeakPolarHBondContact O-CG 3.45Å; S84-R88 PolarHBondContact O-N 3.3Å; S84-R88 VanDerWaalsContact O-N 3.13Å |
| 85 | L | 67.8 | Low | 65.4 | Low | 87 Ų | 87 | 109.2 Ų | 109.2 | 46% | 0.455 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -74.2 | -44.4 | 177.1 | -78.4 | 171.4 | 0 | 0 | 0 | 111.3 | K81 D82 A87 R88 I89 | K81-L85 PolarHBondContact O-N 3.47Å; D82-L85 PolarHBondContact O-N 2.94Å; L85-A87 VanDerWaalsContact C-N 3.34Å; L85-A87 PolarHBondContact O-N 2.95Å; L85-R88 PolarHBondContact O-N 3.08Å; L85-R88 VanDerWaalsContact O-N 3.14Å; L85-I89 WeakPolarHBondContact O-CG1 3.32Å; L85-I89 PolarHBondContact O-N 3.23Å |
| 86 | E | 75.4 | Confident | 67.2 | Low | 142 Ų | 142 | 110.6 Ų | 110.6 | 66% | 0.664 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.1 | -42.9 | 175.8 | -168.6 | 179.1 | -178.5 | 0 | 0 | 111.4 | D82 R88 I89 K90 | D82-E86 PolarHBondContact O-N 3.13Å; E86-R88 VanDerWaalsContact C-N 3.33Å; E86-R88 PolarHBondContact O-N 3.07Å; E86-I89 PolarHBondContact O-N 2.97Å; E86-K90 WeakPolarHBondContact O-CB 3.18Å; E86-K90 PolarHBondContact O-N 3.18Å |
| 87 | A | 73.6 | Confident | 69 | Low | 58 Ų | 58 | 108.9 Ų | 108.9 | 48% | 0.479 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.5 | -40.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K83 L85 A91 | K83-A87 WeakPolarHBondContact O-CB 3.35Å; K83-A87 PolarHBondContact O-N 3.21Å; K83-A87 VanDerWaalsContact O-N 3.14Å; L85-A87 VanDerWaalsContact C-N 3.34Å; L85-A87 PolarHBondContact O-N 2.95Å; A87-A91 VanDerWaalsContact O-CB 3.29Å; A87-A91 WeakPolarHBondContact O-CB 3.47Å; A87-A91 PolarHBondContact O-N 3.46Å |
| 88 | R | 70.2 | Confident | 70.6 | Confident | 167 Ų | 167 | 108.5 Ų | 108.5 | 63% | 0.63 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.8 | -38.8 | 176.2 | -76.2 | 173.1 | 63.8 | -166.3 | -2 | 113.1 | S84 L85 E86 S92 | S84-R88 WeakPolarHBondContact O-CB 3.36Å; S84-R88 VanDerWaalsContact O-CG 3.25Å; S84-R88 WeakPolarHBondContact O-CG 3.45Å; S84-R88 PolarHBondContact O-N 3.3Å; S84-R88 VanDerWaalsContact O-N 3.13Å; L85-R88 PolarHBondContact O-N 3.08Å; L85-R88 VanDerWaalsContact O-N 3.14Å; E86-R88 VanDerWaalsContact C-N 3.33Å; E86-R88 PolarHBondContact O-N 3.07Å; R88-S92 WeakPolarHBondContact O-CB 3.31Å; R88-S92 PolarHBondContact O-N 3.18Å; R88-S92 PolarHBondContact O-OG 3.11Å |
| 89 | I | 74 | Confident | 72 | Confident | 121 Ų | 121 | 108.4 Ų | 108.4 | 62% | 0.621 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.1 | -47.3 | 174.2 | -67.6 | 165.1 | 0 | 0 | 0 | 109.8 | L85 E86 A91 S92 S93 | L85-I89 WeakPolarHBondContact O-CG1 3.32Å; L85-I89 PolarHBondContact O-N 3.23Å; E86-I89 PolarHBondContact O-N 2.97Å; I89-A91 PolarHBondContact O-N 3.11Å; I89-S92 WeakPolarHBondContact O-CB 3.38Å; I89-S92 PolarHBondContact O-N 2.97Å; I89-S93 PolarHBondContact O-N 3.17Å |
| 90 | K | 79.6 | Confident | 73.9 | Confident | 158 Ų | 158 | 109.8 Ų | 109.8 | 69% | 0.687 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.9 | -40.2 | 177.1 | -167.8 | 172.7 | -175.5 | 174.4 | 0 | 112.8 | E86 S92 A94 | E86-K90 WeakPolarHBondContact O-CB 3.18Å; E86-K90 PolarHBondContact O-N 3.18Å; K90-S92 VanDerWaalsContact C-N 3.29Å; K90-S92 PolarHBondContact O-N 3.23Å; K90-A94 WeakPolarHBondContact O-CB 3.45Å; K90-A94 PolarHBondContact O-N 3.3Å |
| 91 | A | 70.9 | Confident | 75.7 | Confident | 62 Ų | 62 | 109.1 Ų | 109.1 | 51% | 0.512 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.9 | -30.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | A87 I89 R95 | A87-A91 VanDerWaalsContact O-CB 3.29Å; A87-A91 WeakPolarHBondContact O-CB 3.47Å; A87-A91 PolarHBondContact O-N 3.46Å; I89-A91 PolarHBondContact O-N 3.11Å; A91-R95 PolarHBondContact O-N 2.98Å |
| 92 | S | 68.8 | Low | 77.3 | Confident | 66 Ų | 66 | 105 Ų | 105 | 46% | 0.462 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -75.2 | -44.8 | 177.5 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | R88 I89 K90 R95 E96 | R88-S92 WeakPolarHBondContact O-CB 3.31Å; R88-S92 PolarHBondContact O-N 3.18Å; R88-S92 PolarHBondContact O-OG 3.11Å; I89-S92 WeakPolarHBondContact O-CB 3.38Å; I89-S92 PolarHBondContact O-N 2.97Å; K90-S92 VanDerWaalsContact C-N 3.29Å; K90-S92 PolarHBondContact O-N 3.23Å; S92-R95 WeakPolarHBondContact O-CB 3.36Å; S92-R95 PolarHBondContact O-N 3.14Å; S92-R95 VanDerWaalsContact O-N 3.15Å; S92-E96 PolarHBondContact O-N 3.46Å; S92-E96 VanDerWaalsContact O-N 3.08Å |
| 93 | S | 78.3 | Confident | 78.8 | Confident | 57 Ų | 57 | 104.6 Ų | 104.6 | 40% | 0.399 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.9 | -47 | 170.9 | 163.2 | 0 | 0 | 0 | 0 | 112 | I89 R95 E96 D97 | I89-S93 PolarHBondContact O-N 3.17Å; S93-R95 PolarHBondContact O-N 3.2Å; S93-E96 WeakPolarHBondContact O-CB 3.47Å; S93-E96 PolarHBondContact O-N 3.4Å; S93-D97 PolarHBondContact O-N 3.35Å |
| 94 | A | 79.2 | Confident | 80.3 | Confident | 54 Ų | 54 | 102.1 Ų | 102.1 | 45% | 0.446 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.1 | -29.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K90 Y98 | K90-A94 WeakPolarHBondContact O-CB 3.45Å; K90-A94 PolarHBondContact O-N 3.3Å; A94-Y98 WeakPolarHBondContact O-CB 3.38Å; A94-Y98 PolarHBondContact O-N 2.67Å; A94-Y98 VanDerWaalsContact O-N 3.07Å |
| 95 | R | 81.5 | Confident | 81.3 | Confident | 192 Ų | 192 | 103 Ų | 103 | 73% | 0.725 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -73.6 | -36.8 | 174.5 | -174.8 | 180 | -179.9 | 177 | 0.7 | 112.2 | A91 S92 S93 E99 | A91-R95 PolarHBondContact O-N 2.98Å; S92-R95 WeakPolarHBondContact O-CB 3.36Å; S92-R95 PolarHBondContact O-N 3.14Å; S92-R95 VanDerWaalsContact O-N 3.15Å; S93-R95 PolarHBondContact O-N 3.2Å; R95-E99 PolarHBondContact O-N 3.14Å; R95-E99 VanDerWaalsContact O-N 3.15Å |
| 96 | E | 85.1 | Confident | 82.5 | Confident | 131 Ų | 131 | 106 Ų | 106 | 61% | 0.612 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.8 | -46.5 | 173.4 | -69.9 | 176.2 | -169.3 | 0 | 0 | 111 | S92 S93 Y98 E99 Q100 | S92-E96 PolarHBondContact O-N 3.46Å; S92-E96 VanDerWaalsContact O-N 3.08Å; S93-E96 WeakPolarHBondContact O-CB 3.47Å; S93-E96 PolarHBondContact O-N 3.4Å; E96-Y98 VanDerWaalsContact C-N 3.27Å; E96-Y98 PolarHBondContact O-N 3.28Å; E96-E99 PolarHBondContact O-N 3.28Å; E96-E99 VanDerWaalsContact O-N 3.13Å; E96-Q100 WeakPolarHBondContact O-CG 3.36Å; E96-Q100 PolarHBondContact O-N 3.3Å |
| 97 | D | 82.3 | Confident | 83.3 | Confident | 88 Ų | 88 | 103.4 Ų | 103.4 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57 | -40.2 | 174.5 | -68.6 | -21 | 0 | 0 | 0 | 111.9 | S93 Q100 L101 | S93-D97 PolarHBondContact O-N 3.35Å; D97-Q100 PolarHBondContact O-N 3.02Å; D97-L101 WeakPolarHBondContact O-CB 3.26Å; D97-L101 PolarHBondContact O-N 3.35Å |
| 98 | Y | 85.9 | Confident | 84.2 | Confident | 145 Ų | 145 | 106 Ų | 106 | 57% | 0.569 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.7 | -42.1 | 175.7 | 178.8 | -103.5 | 0 | 0 | 0 | 112.9 | A94 E96 L101 K102 | A94-Y98 WeakPolarHBondContact O-CB 3.38Å; A94-Y98 PolarHBondContact O-N 2.67Å; A94-Y98 VanDerWaalsContact O-N 3.07Å; E96-Y98 VanDerWaalsContact C-N 3.27Å; E96-Y98 PolarHBondContact O-N 3.28Å; Y98-L101 PolarHBondContact O-N 3.17Å; Y98-K102 HydrophobicContact CE1-CD 4.3Å; Y98-K102 WeakPolarHBondContact O-CB 3.34Å; Y98-K102 PolarHBondContact O-N 3Å |
| 99 | E | 87.7 | Confident | 85.2 | Confident | 78 Ų | 78 | 105.1 Ų | 105.1 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.1 | -35.2 | 174.8 | -70.6 | -63.3 | 141.1 | 0 | 0 | 112 | R95 E96 K102 L103 | R95-E99 PolarHBondContact O-N 3.14Å; R95-E99 VanDerWaalsContact O-N 3.15Å; E96-E99 PolarHBondContact O-N 3.28Å; E96-E99 VanDerWaalsContact O-N 3.13Å; E99-K102 PolarHBondContact O-N 3.49Å; E99-K102 IonicContact OE1-NZ 3.96Å; E99-K102 PolarHBondContact OE1-NZ 3.3Å; E99-K102 WeakPolarHBondContact OE2-CD 3.46Å; E99-K102 IonicContact OE2-NZ 2.95Å; E99-K102 PolarHBondContact OE2-NZ 2.94Å; E99-L103 WeakPolarHBondContact O-CG 3.33Å; E99-L103 PolarHBondContact O-N 3.48Å |
| 100 | Q | 91.2 | Very high | 86.1 | Confident | 114 Ų | 114 | 106.2 Ų | 106.2 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.5 | -47.8 | 171 | -69.2 | -175 | 32.2 | 0 | 0 | 111.7 | E96 D97 K102 L103 L104 | E96-Q100 WeakPolarHBondContact O-CG 3.36Å; E96-Q100 PolarHBondContact O-N 3.3Å; D97-Q100 PolarHBondContact O-N 3.02Å; Q100-K102 VanDerWaalsContact C-N 3.3Å; Q100-K102 PolarHBondContact O-N 2.93Å; Q100-L103 WeakPolarHBondContact O-CB 3.39Å; Q100-L103 PolarHBondContact O-N 3.43Å; Q100-L103 VanDerWaalsContact O-N 3.14Å; Q100-L104 PolarHBondContact O-N 3.37Å |
| 101 | L | 90.4 | Very high | 86.7 | Confident | 94 Ų | 94 | 102.7 Ų | 102.7 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.6 | -41 | 176.3 | 178.9 | 60.5 | 0 | 0 | 0 | 111.7 | D97 Y98 L103 L104 I105 | D97-L101 WeakPolarHBondContact O-CB 3.26Å; D97-L101 PolarHBondContact O-N 3.35Å; Y98-L101 PolarHBondContact O-N 3.17Å; L101-L103 PolarHBondContact O-N 3.27Å; L101-L104 PolarHBondContact O-N 2.89Å; L101-I105 HydrophobicContact CD1-CD1 4.22Å; L101-I105 HydrophobicContact CD1-CG1 4.43Å; L101-I105 HydrophobicContact CG-CD1 3.98Å; L101-I105 VanDerWaalsContact O-CG1 3.28Å; L101-I105 WeakPolarHBondContact O-CG1 3.4Å; L101-I105 PolarHBondContact O-N 3.41Å |
| 102 | K | 90.7 | Very high | 87.6 | Confident | 67 Ų | 67 | 106.8 Ų | 106.8 | 29% | 0.291 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -34.4 | 176.4 | -177 | -179 | 170.9 | -156.2 | 0 | 112.5 | Y98 E99 Q100 R106 | Y98-K102 HydrophobicContact CE1-CD 4.3Å; Y98-K102 WeakPolarHBondContact O-CB 3.34Å; Y98-K102 PolarHBondContact O-N 3Å; E99-K102 PolarHBondContact O-N 3.49Å; E99-K102 IonicContact OE1-NZ 3.96Å; E99-K102 PolarHBondContact OE1-NZ 3.3Å; E99-K102 WeakPolarHBondContact OE2-CD 3.46Å; E99-K102 IonicContact OE2-NZ 2.95Å; E99-K102 PolarHBondContact OE2-NZ 2.94Å; Q100-K102 VanDerWaalsContact C-N 3.3Å; Q100-K102 PolarHBondContact O-N 2.93Å; K102-R106 VanDerWaalsContact O-CG 3.29Å; K102-R106 WeakPolarHBondContact O-CG 3.28Å; K102-R106 PolarHBondContact O-N 3.19Å; K102-R106 VanDerWaalsContact O-N 3.11Å |
| 103 | L | 90.5 | Very high | 88.7 | Confident | 105 Ų | 105 | 110.3 Ų | 110.3 | 55% | 0.55 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -46.4 | 169.9 | -72.2 | 170 | 0 | 0 | 0 | 111.6 | E99 Q100 L101 I105 R106 E107 | E99-L103 WeakPolarHBondContact O-CG 3.33Å; E99-L103 PolarHBondContact O-N 3.48Å; Q100-L103 WeakPolarHBondContact O-CB 3.39Å; Q100-L103 PolarHBondContact O-N 3.43Å; Q100-L103 VanDerWaalsContact O-N 3.14Å; L101-L103 PolarHBondContact O-N 3.27Å; L103-I105 PolarHBondContact O-N 3.2Å; L103-R106 WeakPolarHBondContact O-CB 3.31Å; L103-R106 PolarHBondContact O-N 2.86Å; L103-R106 VanDerWaalsContact O-N 3.15Å; L103-E107 PolarHBondContact O-N 3.25Å |
| 104 | L | 93.1 | Very high | 89.2 | Confident | 99 Ų | 99 | 112 Ų | 112 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 175.3 | -72.6 | 168.6 | 0 | 0 | 0 | 112.1 | Q100 L101 R106 E107 Q108 | Q100-L104 PolarHBondContact O-N 3.37Å; L101-L104 PolarHBondContact O-N 2.89Å; L104-R106 VanDerWaalsContact C-N 3.35Å; L104-R106 PolarHBondContact O-N 2.96Å; L104-E107 PolarHBondContact O-N 3.18Å; L104-Q108 WeakPolarHBondContact O-CG 3.48Å; L104-Q108 PolarHBondContact O-N 3.38Å |
| 105 | I | 91.6 | Very high | 89.8 | Confident | 79 Ų | 79 | 118.4 Ų | 118.4 | 41% | 0.405 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 175.8 | -70.3 | 165.8 | 0 | 0 | 0 | 111.3 | L101 L103 K109 | L101-I105 HydrophobicContact CD1-CD1 4.22Å; L101-I105 HydrophobicContact CD1-CG1 4.43Å; L101-I105 HydrophobicContact CG-CD1 3.98Å; L101-I105 VanDerWaalsContact O-CG1 3.28Å; L101-I105 WeakPolarHBondContact O-CG1 3.4Å; L101-I105 PolarHBondContact O-N 3.41Å; L103-I105 PolarHBondContact O-N 3.2Å; I105-K109 HydrophobicContact CG2-CD 4.09Å; I105-K109 WeakPolarHBondContact O-CB 3.42Å; I105-K109 VanDerWaalsContact O-CG 3.3Å; I105-K109 WeakPolarHBondContact O-CG 3.45Å; I105-K109 PolarHBondContact O-N 3.29Å |
| 106 | R | 91.8 | Very high | 90.3 | Very high | 150 Ų | 150 | 111.7 Ų | 111.7 | 57% | 0.566 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.8 | -41.7 | 174.3 | -76 | 168.9 | 172.6 | 179.3 | -2.3 | 111.5 | K102 L103 L104 K109 K110 | K102-R106 VanDerWaalsContact O-CG 3.29Å; K102-R106 WeakPolarHBondContact O-CG 3.28Å; K102-R106 PolarHBondContact O-N 3.19Å; K102-R106 VanDerWaalsContact O-N 3.11Å; L103-R106 WeakPolarHBondContact O-CB 3.31Å; L103-R106 PolarHBondContact O-N 2.86Å; L103-R106 VanDerWaalsContact O-N 3.15Å; L104-R106 VanDerWaalsContact C-N 3.35Å; L104-R106 PolarHBondContact O-N 2.96Å; R106-K109 PolarHBondContact O-N 3.21Å; R106-K110 PolarHBondContact O-N 3.22Å |
| 107 | E | 93 | Very high | 90.5 | Very high | 86 Ų | 86 | 110.1 Ų | 110.1 | 40% | 0.402 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66 | -44.5 | 178 | -156.1 | -147.6 | 175.5 | 0 | 0 | 111.9 | L103 L104 K109 K110 K111 | L103-E107 PolarHBondContact O-N 3.25Å; L104-E107 PolarHBondContact O-N 3.18Å; E107-K109 PolarHBondContact O-N 2.77Å; E107-K110 WeakPolarHBondContact O-CB 3.47Å; E107-K110 PolarHBondContact O-N 3.2Å; E107-K110 VanDerWaalsContact O-N 3.14Å; E107-K111 VanDerWaalsContact CD-CE 3.46Å; E107-K111 WeakPolarHBondContact O-CG 3.48Å; E107-K111 PolarHBondContact O-N 3.37Å; E107-K111 WeakPolarHBondContact OE1-CE 3.46Å; E107-K111 IonicContact OE1-NZ 2.69Å; E107-K111 PolarHBondContact OE1-NZ 2.89Å; E107-K111 IonicContact OE2-NZ 2.78Å; E107-K111 PolarHBondContact OE2-NZ 3.44Å |
| 108 | Q | 92 | Very high | 90.9 | Very high | 113 Ų | 113 | 108.5 Ų | 108.5 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 175.2 | -69.9 | -67.5 | -0.1 | 0 | 0 | 111.9 | L104 K110 K111 Y112 | L104-Q108 WeakPolarHBondContact O-CG 3.48Å; L104-Q108 PolarHBondContact O-N 3.38Å; Q108-K110 VanDerWaalsContact C-N 3.32Å; Q108-K110 PolarHBondContact O-N 3.33Å; Q108-K111 PolarHBondContact O-N 3.11Å; Q108-Y112 WeakPolarHBondContact O-CB 3.43Å; Q108-Y112 PolarHBondContact O-N 2.9Å |
| 109 | K | 92 | Very high | 91 | Very high | 148 Ų | 148 | 105.9 Ų | 105.9 | 64% | 0.643 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.1 | -38.8 | 172.6 | -76.2 | 174.9 | 178.6 | 178.1 | 0 | 111.9 | I105 R106 E107 K113 | I105-K109 HydrophobicContact CG2-CD 4.09Å; I105-K109 WeakPolarHBondContact O-CB 3.42Å; I105-K109 VanDerWaalsContact O-CG 3.3Å; I105-K109 WeakPolarHBondContact O-CG 3.45Å; I105-K109 PolarHBondContact O-N 3.29Å; R106-K109 PolarHBondContact O-N 3.21Å; E107-K109 PolarHBondContact O-N 2.77Å; K109-K113 WeakPolarHBondContact O-CB 3.44Å; K109-K113 PolarHBondContact O-N 2.7Å |
| 110 | K | 92 | Very high | 91.3 | Very high | 145 Ų | 145 | 107.3 Ų | 107.3 | 63% | 0.63 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.4 | -46.2 | 174.1 | -171.1 | -179.4 | 179.1 | -176 | 0 | 111.7 | R106 E107 Q108 Y112 K113 N114 | R106-K110 PolarHBondContact O-N 3.22Å; E107-K110 WeakPolarHBondContact O-CB 3.47Å; E107-K110 PolarHBondContact O-N 3.2Å; E107-K110 VanDerWaalsContact O-N 3.14Å; Q108-K110 VanDerWaalsContact C-N 3.32Å; Q108-K110 PolarHBondContact O-N 3.33Å; K110-Y112 PolarHBondContact O-N 3.45Å; K110-K113 PolarHBondContact O-N 3.14Å; K110-N114 PolarHBondContact O-N 3.13Å; K110-N114 PolarHBondContact O-OD1 3.06Å |
| 111 | K | 93.1 | Very high | 91.1 | Very high | 84 Ų | 84 | 104.8 Ų | 104.8 | 37% | 0.365 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 175.1 | -75.9 | 169.1 | 175 | 163.1 | 0 | 111.6 | E107 Q108 N114 R115 | E107-K111 VanDerWaalsContact CD-CE 3.46Å; E107-K111 WeakPolarHBondContact O-CG 3.48Å; E107-K111 PolarHBondContact O-N 3.37Å; E107-K111 WeakPolarHBondContact OE1-CE 3.46Å; E107-K111 IonicContact OE1-NZ 2.69Å; E107-K111 PolarHBondContact OE1-NZ 2.89Å; E107-K111 IonicContact OE2-NZ 2.78Å; E107-K111 PolarHBondContact OE2-NZ 3.44Å; Q108-K111 PolarHBondContact O-N 3.11Å; K111-N114 PolarHBondContact O-N 2.94Å; K111-R115 WeakPolarHBondContact O-CG 3.37Å; K111-R115 PolarHBondContact O-N 2.89Å |
| 112 | Y | 89.6 | Confident | 91.2 | Very high | 148 Ų | 148 | 107.3 Ų | 107.3 | 58% | 0.58 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62 | -49 | 176 | -178.8 | -102 | 0 | 0 | 0 | 112.1 | Q108 K110 N114 R115 V116 | Q108-Y112 WeakPolarHBondContact O-CB 3.43Å; Q108-Y112 PolarHBondContact O-N 2.9Å; K110-Y112 PolarHBondContact O-N 3.45Å; Y112-N114 VanDerWaalsContact C-N 3.29Å; Y112-N114 PolarHBondContact O-N 2.88Å; Y112-R115 PolarHBondContact O-N 3.06Å; Y112-R115 VanDerWaalsContact O-N 3.11Å; Y112-V116 HydrophobicContact CD1-CG2 4.16Å; Y112-V116 HydrophobicContact CD2-CG2 4.47Å; Y112-V116 HydrophobicContact CE1-CG2 3.73Å; Y112-V116 HydrophobicContact CE2-CG2 4.07Å; Y112-V116 WeakPolarHBondContact O-CG2 3.29Å; Y112-V116 PolarHBondContact O-N 3.19Å |
| 113 | K | 91.3 | Very high | 91 | Very high | 139 Ų | 139 | 111.9 Ų | 111.9 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -56.6 | -42.3 | 176.7 | -173.5 | 176.2 | -179.7 | 179.1 | 0 | 112 | K109 K110 V116 L117 | K109-K113 WeakPolarHBondContact O-CB 3.44Å; K109-K113 PolarHBondContact O-N 2.7Å; K110-K113 PolarHBondContact O-N 3.14Å; K113-V116 PolarHBondContact O-N 3.11Å; K113-L117 HydrophobicContact CG-CD1 4.29Å; K113-L117 WeakPolarHBondContact O-CG 3.22Å; K113-L117 PolarHBondContact O-N 3.16Å |
| 114 | N | 90 | Very high | 91 | Very high | 93 Ų | 93 | 112.3 Ų | 112.3 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 176.8 | -71.8 | 0.8 | 0 | 0 | 0 | 112.4 | K110 K111 Y112 L117 A118 | K110-N114 PolarHBondContact O-N 3.13Å; K110-N114 PolarHBondContact O-OD1 3.06Å; K111-N114 PolarHBondContact O-N 2.94Å; Y112-N114 VanDerWaalsContact C-N 3.29Å; Y112-N114 PolarHBondContact O-N 2.88Å; N114-L117 PolarHBondContact O-N 3.37Å; N114-A118 WeakPolarHBondContact O-CB 3.25Å; N114-A118 PolarHBondContact O-N 2.57Å |
| 115 | R | 91.7 | Very high | 90.7 | Very high | 189 Ų | 189 | 109.3 Ų | 109.3 | 71% | 0.713 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.5 | -46.3 | 174.6 | -73.4 | 177 | 179.6 | -178.4 | -0 | 111.8 | K111 Y112 L117 A118 E119 | K111-R115 WeakPolarHBondContact O-CG 3.37Å; K111-R115 PolarHBondContact O-N 2.89Å; Y112-R115 PolarHBondContact O-N 3.06Å; Y112-R115 VanDerWaalsContact O-N 3.11Å; R115-L117 VanDerWaalsContact C-N 3.34Å; R115-L117 PolarHBondContact O-N 3.08Å; R115-A118 PolarHBondContact O-N 3.39Å; R115-E119 WeakPolarHBondContact O-CB 3.41Å; R115-E119 PolarHBondContact O-N 3.35Å |
| 116 | V | 90.9 | Very high | 90.6 | Very high | 50 Ų | 50 | 109.9 Ų | 109.9 | 30% | 0.303 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -40.4 | 177.1 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | Y112 K113 E119 K120 | Y112-V116 HydrophobicContact CD1-CG2 4.16Å; Y112-V116 HydrophobicContact CD2-CG2 4.47Å; Y112-V116 HydrophobicContact CE1-CG2 3.73Å; Y112-V116 HydrophobicContact CE2-CG2 4.07Å; Y112-V116 WeakPolarHBondContact O-CG2 3.29Å; Y112-V116 PolarHBondContact O-N 3.19Å; K113-V116 PolarHBondContact O-N 3.11Å; V116-E119 PolarHBondContact O-N 2.99Å; V116-K120 VanDerWaalsContact O-CB 3.32Å; V116-K120 WeakPolarHBondContact O-CB 3.22Å; V116-K120 PolarHBondContact O-N 2.92Å |
| 117 | L | 89.8 | Confident | 90.2 | Very high | 98 Ų | 98 | 109.1 Ų | 109.1 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 175.2 | -73.3 | 171.8 | 0 | 0 | 0 | 112.4 | K113 N114 R115 E119 K120 A121 | K113-L117 HydrophobicContact CG-CD1 4.29Å; K113-L117 WeakPolarHBondContact O-CG 3.22Å; K113-L117 PolarHBondContact O-N 3.16Å; N114-L117 PolarHBondContact O-N 3.37Å; R115-L117 VanDerWaalsContact C-N 3.34Å; R115-L117 PolarHBondContact O-N 3.08Å; L117-E119 VanDerWaalsContact C-N 3.35Å; L117-K120 PolarHBondContact O-N 3.15Å; L117-A121 WeakPolarHBondContact O-CB 3.44Å; L117-A121 PolarHBondContact O-N 2.94Å |
| 118 | A | 90.7 | Very high | 89.8 | Confident | 54 Ų | 54 | 112.1 Ų | 112.1 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N114 R115 A121 K122 | N114-A118 WeakPolarHBondContact O-CB 3.25Å; N114-A118 PolarHBondContact O-N 2.57Å; R115-A118 PolarHBondContact O-N 3.39Å; A118-A121 WeakPolarHBondContact O-CB 3.5Å; A118-A121 PolarHBondContact O-N 3.02Å; A118-K122 WeakPolarHBondContact O-CG 3.35Å; A118-K122 PolarHBondContact O-N 3.3Å |
| 119 | E | 88.7 | Confident | 89.4 | Confident | 90 Ų | 90 | 111.5 Ų | 111.5 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.1 | -42.5 | 175.9 | -157.1 | -163 | 152.5 | 0 | 0 | 111.9 | R115 V116 L117 A121 K122 R123 | R115-E119 WeakPolarHBondContact O-CB 3.41Å; R115-E119 PolarHBondContact O-N 3.35Å; V116-E119 PolarHBondContact O-N 2.99Å; L117-E119 VanDerWaalsContact C-N 3.35Å; E119-A121 VanDerWaalsContact C-N 3.26Å; E119-A121 PolarHBondContact O-N 3.45Å; E119-K122 WeakPolarHBondContact O-CB 3.31Å; E119-K122 PolarHBondContact O-N 2.91Å; E119-K122 VanDerWaalsContact O-N 3.13Å; E119-R123 WeakPolarHBondContact O-CG 3.41Å; E119-R123 PolarHBondContact O-N 3.11Å; E119-R123 IonicContact OE1-CZ 2.61Å; E119-R123 IonicContact OE1-NE 3.2Å; E119-R123 PolarHBondContact OE1-NE 2.77Å; E119-R123 IonicContact OE1-NH2 2.75Å; E119-R123 PolarHBondContact OE1-NH2 3.38Å |
| 120 | K | 92.4 | Very high | 88.9 | Confident | 108 Ų | 108 | 110.2 Ų | 110.2 | 47% | 0.47 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.5 | -37.5 | 173.2 | -169.8 | 168.8 | -172.6 | 165.4 | 0 | 111.5 | V116 L117 K124 | V116-K120 VanDerWaalsContact O-CB 3.32Å; V116-K120 WeakPolarHBondContact O-CB 3.22Å; V116-K120 PolarHBondContact O-N 2.92Å; L117-K120 PolarHBondContact O-N 3.15Å; K120-K124 WeakPolarHBondContact O-CB 3.3Å; K120-K124 PolarHBondContact O-N 3.38Å |
| 121 | A | 88.8 | Confident | 88.3 | Confident | 61 Ų | 61 | 106.1 Ų | 106.1 | 50% | 0.504 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | L117 A118 E119 K124 A125 | L117-A121 WeakPolarHBondContact O-CB 3.44Å; L117-A121 PolarHBondContact O-N 2.94Å; A118-A121 WeakPolarHBondContact O-CB 3.5Å; A118-A121 PolarHBondContact O-N 3.02Å; E119-A121 VanDerWaalsContact C-N 3.26Å; E119-A121 PolarHBondContact O-N 3.45Å; A121-K124 PolarHBondContact O-N 3.03Å; A121-A125 PolarHBondContact O-N 3.16Å |
| 122 | K | 91.6 | Very high | 87.6 | Confident | 147 Ų | 147 | 111.4 Ų | 111.4 | 64% | 0.639 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.2 | -49.7 | 174.2 | -73.7 | 179.7 | 177.9 | -171.6 | 0 | 112 | A118 E119 K124 A125 I126 | A118-K122 WeakPolarHBondContact O-CG 3.35Å; A118-K122 PolarHBondContact O-N 3.3Å; E119-K122 WeakPolarHBondContact O-CB 3.31Å; E119-K122 PolarHBondContact O-N 2.91Å; E119-K122 VanDerWaalsContact O-N 3.13Å; K122-K124 VanDerWaalsContact C-N 3.32Å; K122-K124 PolarHBondContact O-N 2.78Å; K122-A125 WeakPolarHBondContact O-CB 3.41Å; K122-A125 PolarHBondContact O-N 3.4Å; K122-A125 VanDerWaalsContact O-N 3.08Å; K122-I126 WeakPolarHBondContact O-CG1 3.39Å; K122-I126 PolarHBondContact O-N 3.45Å |
| 123 | R | 86.4 | Confident | 87 | Confident | 164 Ų | 164 | 111.8 Ų | 111.8 | 62% | 0.619 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -56.9 | -44.6 | 177 | -68.5 | 178.9 | -173.9 | -158.2 | 4.6 | 111.3 | E119 A125 I126 E127 | E119-R123 WeakPolarHBondContact O-CG 3.41Å; E119-R123 PolarHBondContact O-N 3.11Å; E119-R123 IonicContact OE1-CZ 2.61Å; E119-R123 IonicContact OE1-NE 3.2Å; E119-R123 PolarHBondContact OE1-NE 2.77Å; E119-R123 IonicContact OE1-NH2 2.75Å; E119-R123 PolarHBondContact OE1-NH2 3.38Å; R123-A125 VanDerWaalsContact C-N 3.34Å; R123-A125 PolarHBondContact O-N 3.31Å; R123-I126 PolarHBondContact O-N 3.27Å; R123-E127 WeakPolarHBondContact O-CB 3.38Å; R123-E127 PolarHBondContact O-N 3.32Å |
| 124 | K | 90.7 | Very high | 85.8 | Confident | 113 Ų | 113 | 111.4 Ų | 111.4 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.4 | -28.6 | 176.3 | -169.5 | 170.2 | -172.4 | 170.1 | 0 | 113.8 | K120 A121 K122 R128 | K120-K124 WeakPolarHBondContact O-CB 3.3Å; K120-K124 PolarHBondContact O-N 3.38Å; A121-K124 PolarHBondContact O-N 3.03Å; K122-K124 VanDerWaalsContact C-N 3.32Å; K122-K124 PolarHBondContact O-N 2.78Å; K124-R128 WeakPolarHBondContact O-CD 3.31Å; K124-R128 VanDerWaalsContact O-CG 3.27Å; K124-R128 WeakPolarHBondContact O-CG 3.42Å; K124-R128 PolarHBondContact O-N 3.32Å |
| 125 | A | 87.2 | Confident | 84.3 | Confident | 37 Ų | 37 | 111.2 Ų | 111.2 | 31% | 0.306 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.2 | -44.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A121 K122 R123 R128 L129 | A121-A125 PolarHBondContact O-N 3.16Å; K122-A125 WeakPolarHBondContact O-CB 3.41Å; K122-A125 PolarHBondContact O-N 3.4Å; K122-A125 VanDerWaalsContact O-N 3.08Å; R123-A125 VanDerWaalsContact C-N 3.34Å; R123-A125 PolarHBondContact O-N 3.31Å; A125-R128 PolarHBondContact O-N 3.4Å; A125-L129 WeakPolarHBondContact O-CG 3.42Å; A125-L129 PolarHBondContact O-N 2.87Å; A125-L129 VanDerWaalsContact O-N 3.07Å |
| 126 | I | 88.2 | Confident | 82.5 | Confident | 90 Ų | 90 | 105.5 Ų | 105.5 | 46% | 0.462 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 175.7 | -68.2 | 165.8 | 0 | 0 | 0 | 111 | K122 R123 R128 L129 F130 | K122-I126 WeakPolarHBondContact O-CG1 3.39Å; K122-I126 PolarHBondContact O-N 3.45Å; R123-I126 PolarHBondContact O-N 3.27Å; I126-R128 VanDerWaalsContact C-N 3.3Å; I126-R128 PolarHBondContact O-N 3.07Å; I126-L129 WeakPolarHBondContact O-CB 3.48Å; I126-L129 PolarHBondContact O-N 3.45Å; I126-L129 VanDerWaalsContact O-N 3.07Å; I126-F130 HydrophobicContact CG2-CD2 3.59Å; I126-F130 HydrophobicContact CG2-CE2 3.49Å; I126-F130 VanDerWaalsContact CG2-CE2 3.49Å; I126-F130 WeakPolarHBondContact O-CD2 3.38Å; I126-F130 PolarHBondContact O-N 3.05Å |
| 127 | E | 83.8 | Confident | 80.2 | Confident | 134 Ų | 134 | 108 Ų | 108 | 63% | 0.626 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -56.5 | -41.8 | 175.6 | -174.3 | -176.7 | -168 | 0 | 0 | 112.2 | R123 F130 A131 | R123-E127 WeakPolarHBondContact O-CB 3.38Å; R123-E127 PolarHBondContact O-N 3.32Å; E127-F130 PolarHBondContact O-N 3.08Å; E127-A131 WeakPolarHBondContact O-CB 3.42Å; E127-A131 PolarHBondContact O-N 3.19Å |
| 128 | R | 84.8 | Confident | 78 | Confident | 150 Ų | 150 | 109 Ų | 109 | 57% | 0.566 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.4 | -36.2 | 174.7 | -73.2 | 165.5 | 172.8 | 162.7 | -8.4 | 113.1 | K124 A125 I126 R132 | K124-R128 WeakPolarHBondContact O-CD 3.31Å; K124-R128 VanDerWaalsContact O-CG 3.27Å; K124-R128 WeakPolarHBondContact O-CG 3.42Å; K124-R128 PolarHBondContact O-N 3.32Å; A125-R128 PolarHBondContact O-N 3.4Å; I126-R128 VanDerWaalsContact C-N 3.3Å; I126-R128 PolarHBondContact O-N 3.07Å; R128-R132 WeakPolarHBondContact O-CB 3.37Å; R128-R132 PolarHBondContact O-N 3.23Å |
| 129 | L | 84.6 | Confident | 75.6 | Confident | 99 Ų | 99 | 111.5 Ų | 111.5 | 52% | 0.518 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.2 | -44.1 | 175.2 | -69.7 | 171.8 | 0 | 0 | 0 | 111.1 | A125 I126 R132 K133 | A125-L129 WeakPolarHBondContact O-CG 3.42Å; A125-L129 PolarHBondContact O-N 2.87Å; A125-L129 VanDerWaalsContact O-N 3.07Å; I126-L129 WeakPolarHBondContact O-CB 3.48Å; I126-L129 PolarHBondContact O-N 3.45Å; I126-L129 VanDerWaalsContact O-N 3.07Å; L129-R132 PolarHBondContact O-N 3.37Å; L129-K133 PolarHBondContact O-N 3.13Å |
| 130 | F | 80.5 | Confident | 73 | Confident | 121 Ų | 121 | 116.4 Ų | 116.4 | 53% | 0.531 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65 | -41.3 | 174.2 | -80.8 | -68 | 0 | 0 | 0 | 112.6 | I126 E127 R132 K133 N134 | I126-F130 HydrophobicContact CG2-CD2 3.59Å; I126-F130 HydrophobicContact CG2-CE2 3.49Å; I126-F130 VanDerWaalsContact CG2-CE2 3.49Å; I126-F130 WeakPolarHBondContact O-CD2 3.38Å; I126-F130 PolarHBondContact O-N 3.05Å; E127-F130 PolarHBondContact O-N 3.08Å; F130-R132 VanDerWaalsContact C-N 3.33Å; F130-R132 PolarHBondContact O-N 3.15Å; F130-K133 PolarHBondContact O-N 3.01Å; F130-N134 WeakPolarHBondContact O-CB 3.28Å; F130-N134 PolarHBondContact O-N 2.99Å; F130-N134 PolarHBondContact O-OD1 3.13Å |
| 131 | A | 79.4 | Confident | 70.7 | Confident | 60 Ų | 60 | 116.2 Ų | 116.2 | 50% | 0.496 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -59 | -44.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E127 N134 S135 | E127-A131 WeakPolarHBondContact O-CB 3.42Å; E127-A131 PolarHBondContact O-N 3.19Å; A131-N134 PolarHBondContact O-N 2.88Å; A131-S135 WeakPolarHBondContact O-CB 3.21Å; A131-S135 PolarHBondContact O-N 2.83Å; A131-S135 PolarHBondContact O-OG 3.15Å |
| 132 | R | 77.7 | Confident | 68.2 | Low | 194 Ų | 194 | 122.5 Ų | 122.5 | 73% | 0.732 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.2 | -37.5 | 176.6 | -171.3 | 179.3 | -178.7 | -164.9 | -0.6 | 112.9 | R128 L129 F130 S135 A136 | R128-R132 WeakPolarHBondContact O-CB 3.37Å; R128-R132 PolarHBondContact O-N 3.23Å; L129-R132 PolarHBondContact O-N 3.37Å; F130-R132 VanDerWaalsContact C-N 3.33Å; F130-R132 PolarHBondContact O-N 3.15Å; R132-S135 WeakPolarHBondContact CA-OG 3.43Å; R132-S135 PolarHBondContact O-OG 2.92Å; R132-A136 PolarHBondContact O-N 2.93Å |
| 133 | K | 77.3 | Confident | 65.4 | Low | 157 Ų | 157 | 118.9 Ų | 118.9 | 68% | 0.683 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.5 | -40.7 | 175.3 | -173.1 | 176.2 | 179.9 | 178.6 | 0 | 111.5 | L129 F130 A136 | L129-K133 PolarHBondContact O-N 3.13Å; F130-K133 PolarHBondContact O-N 3.01Å; K133-A136 WeakPolarHBondContact O-CB 3.35Å; K133-A136 PolarHBondContact O-N 3.3Å |
| 134 | N | 66 | Low | 63 | Low | 130 Ų | 130 | 117.1 Ų | 117.1 | 70% | 0.695 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77.9 | -20.8 | -179.5 | -63.7 | -7 | 0 | 0 | 0 | 113.2 | F130 A131 A136 | F130-N134 WeakPolarHBondContact O-CB 3.28Å; F130-N134 PolarHBondContact O-N 2.99Å; F130-N134 PolarHBondContact O-OD1 3.13Å; A131-N134 PolarHBondContact O-N 2.88Å; N134-A136 VanDerWaalsContact C-N 3.35Å |
| 135 | S | 59.8 | Low | 60.3 | Low | 90 Ų | 90 | 118.7 Ų | 118.7 | 63% | 0.629 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -7.3 | 169.5 | 64.7 | 0 | 0 | 0 | 0 | 113.6 | A131 R132 S137 | A131-S135 WeakPolarHBondContact O-CB 3.21Å; A131-S135 PolarHBondContact O-N 2.83Å; A131-S135 PolarHBondContact O-OG 3.15Å; R132-S135 WeakPolarHBondContact CA-OG 3.43Å; R132-S135 PolarHBondContact O-OG 2.92Å; S135-S137 PolarHBondContact O-N 2.87Å |
| 136 | A | 52.8 | Low | 58 | Low | 68 Ų | 68 | 121.5 Ų | 121.5 | 56% | 0.562 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -84.2 | 88.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | R132 K133 N134 | R132-A136 PolarHBondContact O-N 2.93Å; K133-A136 WeakPolarHBondContact O-CB 3.35Å; K133-A136 PolarHBondContact O-N 3.3Å; N134-A136 VanDerWaalsContact C-N 3.35Å |
| 137 | S | 43.5 | Very low | 55.4 | Low | 104 Ų | 104 | 125.3 Ų | 125.3 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | trans | -54.3 | 129.3 | 170.8 | 48.1 | 0 | 0 | 0 | 0 | 110.2 | S135 S139 | S135-S137 PolarHBondContact O-N 2.87Å; S137-S139 PolarHBondContact O-N 3.25Å; S137-S139 VanDerWaalsContact O-N 3.15Å | ||
| 138 | P | 43.6 | Very low | 53.1 | Low | 118 Ų | 118 | 126.4 Ų | 126.4 | 77% | 0.766 | 71% | 0.714 | S | S | * | * | trans | -70.3 | 111.1 | 173.8 | 29.2 | -31.7 | 0 | 0 | 0 | 108.7 | E140 | P138-E140 PolarHBondContact O-N 3.41Š| ||
| 139 | S | 39 | Very low | 50.6 | Low | 107 Ų | 107 | 124.8 Ų | 124.8 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | -77.2 | 104.5 | 162.4 | 55.5 | 0 | 0 | 0 | 0 | 107.6 | S137 S141 | S137-S139 PolarHBondContact O-N 3.25Å; S137-S139 VanDerWaalsContact O-N 3.15Å; S139-S141 PolarHBondContact O-N 3.5Å | ||
| 140 | E | 34.6 | Very low | 48.1 | Very low | 192 Ų | 192 | 127.6 Ų | 127.6 | 90% | 0.897 | 74% | 0.735 | S | S | * | * | trans | -66.3 | 115.4 | 169.2 | -65 | -178.1 | 153.5 | 0 | 0 | 108.7 | P138 | P138-E140 PolarHBondContact O-N 3.41Š| ||
| 141 | S | 43.8 | Very low | 45.9 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -144.1 | 114 | 165.3 | 63.1 | 0 | 0 | 0 | 0 | 109.3 | S139 | S139-S141 PolarHBondContact O-N 3.5Š| ||
| 142 | E | 37.4 | Very low | 43.7 | Very low | 194 Ų | 194 | 134 Ų | 134 | 91% | 0.907 | 77% | 0.765 | S | S | * | * | trans | -25.2 | 150.4 | 168.4 | -55.1 | 170 | 131.6 | 0 | 0 | 117.8 | ||||
| 143 | G | 32.4 | Very low | 41.5 | Very low | 70 Ų | 70 | 129.9 Ų | 129.9 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | 68.6 | 137.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 144 | T | 36.2 | Very low | 39.6 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | cis | -161.1 | 142.1 | 28.3 | -57.1 | 0 | 0 | 0 | 0 | 107.8 | S146 | T144-S146 PolarHBondContact O-N 3.02Š| ||
| 145 | T | 34.2 | Very low | 38.2 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | trans | -72.8 | 107.3 | 168.8 | 48.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 146 | S | 38.9 | Very low | 37 | Very low | 97 Ų | 97 | 134.9 Ų | 134.9 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | trans | -129.3 | 118.6 | 168.2 | 53.9 | 0 | 0 | 0 | 0 | 110.9 | T144 L148 | T144-S146 PolarHBondContact O-N 3.02Å; S146-L148 PolarHBondContact O-N 2.92Å | ||
| 147 | N | 32.3 | Very low | 36.4 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -61.8 | 124.4 | 174.4 | -64.6 | -44.6 | 0 | 0 | 0 | 109.5 | ||||
| 148 | L | 37.3 | Very low | 36.6 | Very low | 157 Ų | 157 | 135 Ų | 135 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -137 | 94.3 | 167.8 | -119.8 | 155.8 | 0 | 0 | 0 | 111 | S146 | S146-L148 PolarHBondContact O-N 2.92Š| ||
| 149 | T | 30.6 | Very low | 36.5 | Very low | 116 Ų | 116 | 139 Ų | 139 | 71% | 0.712 | 78% | 0.778 | S | S | * | * | trans | 1.8 | 128.2 | 158.8 | -36.9 | 0 | 0 | 0 | 0 | 118.2 | T151 | T149-T151 PolarHBondContact O-N 3.43Š| ||
| 150 | L | 33.2 | Very low | 37.5 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -48.5 | 114.8 | 161.6 | -136.3 | 81.6 | 0 | 0 | 0 | 111.4 | ||||
| 151 | T | 33.8 | Very low | 38.6 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | trans | -123.1 | 116.4 | 156.1 | 40.2 | 0 | 0 | 0 | 0 | 109.2 | T149 S153 | T149-T151 PolarHBondContact O-N 3.43Å; T151-S153 PolarHBondContact O-N 3.22Å | ||
| 152 | Q | 33 | Very low | 39.6 | Very low | 188 Ų | 188 | 133.5 Ų | 133.5 | 88% | 0.879 | 74% | 0.74 | S | S | * | * | trans | -68.4 | 115.8 | 175.9 | -65.9 | 166.9 | -18.3 | 0 | 0 | 108.5 | ||||
| 153 | S | 32.5 | Very low | 41 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | trans | -127.3 | 118.2 | 161.1 | 69.9 | 0 | 0 | 0 | 0 | 110.2 | T151 Q155 | T151-S153 PolarHBondContact O-N 3.22Å; S153-Q155 PolarHBondContact O-N 2.86Å; S153-Q155 VanDerWaalsContact O-N 3.16Å | ||
| 154 | S | 36.7 | Very low | 42.6 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 88% | 0.881 | 71% | 0.714 | S | S | * | * | trans | -75.7 | 96.6 | 179.3 | 50.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 155 | Q | 37.1 | Very low | 44.3 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | trans | -140.9 | 76.5 | 169.9 | -145.9 | 174.7 | 26.5 | 0 | 0 | 111.6 | S153 T157 | S153-Q155 PolarHBondContact O-N 2.86Å; S153-Q155 VanDerWaalsContact O-N 3.16Å; Q155-T157 VanDerWaalsContact C-N 3.25Å; Q155-T157 HydrophobicContact CG-CG2 4.44Å; Q155-T157 PolarHBondContact O-N 2.78Å; Q155-T157 PolarHBondContact O-OG1 2.69Å | ||
| 156 | E | 34 | Very low | 46 | Very low | 199 Ų | 199 | 126.7 Ų | 126.7 | 93% | 0.93 | 68% | 0.677 | S | S | * | * | trans | -61.1 | 86.8 | 167.2 | -69.2 | -172.1 | 138.9 | 0 | 0 | 110 | ||||
| 157 | T | 41.3 | Very low | 47.2 | Very low | 76 Ų | 76 | 126.4 Ų | 126.4 | 47% | 0.466 | 67% | 0.667 | S | S | . | * | trans | -87.6 | 120.4 | 174.9 | 23.7 | 0 | 0 | 0 | 0 | 108.9 | Q155 W159 | Q155-T157 VanDerWaalsContact C-N 3.25Å; Q155-T157 HydrophobicContact CG-CG2 4.44Å; Q155-T157 PolarHBondContact O-N 2.78Å; Q155-T157 PolarHBondContact O-OG1 2.69Å; T157-W159 VanDerWaalsContact C-N 3.31Å; T157-W159 PolarHBondContact O-N 2.86Å | ||
| 158 | N | 47.2 | Very low | 48.8 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 52% | 0.524 | 64% | 0.644 | S | S | . | * | trans | -66.1 | 82.6 | -179 | -83.9 | -12.7 | 0 | 0 | 0 | 112.5 | S160 D161 Q162 | N158-S160 PolarHBondContact O-N 3.22Å; N158-S160 VanDerWaalsContact O-N 3.17Å; N158-D161 HydrophobicContact CB-CB 3.98Å; N158-D161 PolarHBondContact ND2-OD2 2.95Å; N158-D161 PolarHBondContact O-N 3.43Å; N158-D161 VanDerWaalsContact O-N 3.11Å; N158-Q162 PolarHBondContact O-N 3.49Å | ||
| 159 | W | 40.8 | Very low | 49.9 | Very low | 202 Ų | 202 | 123.5 Ų | 123.5 | 77% | 0.765 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -56.4 | -27.1 | 171.6 | -68.3 | 92.7 | 0 | 0 | 0 | 112.6 | T157 F163 | T157-W159 VanDerWaalsContact C-N 3.31Å; T157-W159 PolarHBondContact O-N 2.86Å; W159-F163 WeakPolarHBondContact O-CB 3.46Å; W159-F163 PolarHBondContact O-N 3.27Å |
| 160 | S | 61.3 | Low | 51.3 | Low | 76 Ų | 76 | 124.2 Ų | 124.2 | 53% | 0.531 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.1 | -46.3 | 173.6 | 45.5 | 0 | 0 | 0 | 0 | 113.2 | N158 F163 L164 | N158-S160 PolarHBondContact O-N 3.22Å; N158-S160 VanDerWaalsContact O-N 3.17Å; S160-F163 PolarHBondContact O-N 3.45Å; S160-L164 WeakPolarHBondContact O-CB 3.35Å; S160-L164 PolarHBondContact O-N 2.94Å |
| 161 | D | 56.4 | Low | 52.1 | Low | 74 Ų | 74 | 121.3 Ų | 121.3 | 40% | 0.396 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -79.1 | -37.1 | -171.3 | -66.3 | -20.1 | 0 | 0 | 0 | 112.2 | N158 F163 L164 N165 | N158-D161 HydrophobicContact CB-CB 3.98Å; N158-D161 PolarHBondContact ND2-OD2 2.95Å; N158-D161 PolarHBondContact O-N 3.43Å; N158-D161 VanDerWaalsContact O-N 3.11Å; D161-F163 VanDerWaalsContact C-N 3.32Å; D161-F163 PolarHBondContact O-N 2.9Å; D161-L164 PolarHBondContact O-N 3.15Å; D161-N165 WeakPolarHBondContact O-CB 3Å; D161-N165 PolarHBondContact O-N 2.96Å; D161-N165 PolarHBondContact O-ND2 3.14Å |
| 162 | Q | 65.7 | Low | 52.7 | Low | 139 Ų | 139 | 120.1 Ų | 120.1 | 65% | 0.65 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60.3 | -44.7 | 171.2 | -81.2 | -173.3 | -8.3 | 0 | 0 | 110.6 | N158 L164 N165 D166 | N158-Q162 PolarHBondContact O-N 3.49Å; Q162-L164 PolarHBondContact O-N 2.89Å; Q162-N165 PolarHBondContact O-N 3.37Å; Q162-D166 VanDerWaalsContact O-CB 3.31Å; Q162-D166 WeakPolarHBondContact O-CB 3.28Å; Q162-D166 PolarHBondContact O-N 3.21Å |
| 163 | F | 66.9 | Low | 53.4 | Low | 124 Ų | 124 | 122.2 Ų | 122.2 | 54% | 0.544 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.7 | -38.2 | 178.5 | -165.2 | -91.3 | 0 | 0 | 0 | 112.7 | W159 S160 D161 L167 | W159-F163 WeakPolarHBondContact O-CB 3.46Å; W159-F163 PolarHBondContact O-N 3.27Å; S160-F163 PolarHBondContact O-N 3.45Å; D161-F163 VanDerWaalsContact C-N 3.32Å; D161-F163 PolarHBondContact O-N 2.9Å; F163-L167 WeakPolarHBondContact O-CB 3.37Å; F163-L167 PolarHBondContact O-N 3.38Å |
| 164 | L | 65.8 | Low | 53.7 | Low | 103 Ų | 103 | 127.7 Ų | 127.7 | 54% | 0.539 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.5 | -46.7 | 176.9 | -144.3 | 83.8 | 0 | 0 | 0 | 111.6 | S160 D161 Q162 D166 L167 I168 | S160-L164 WeakPolarHBondContact O-CB 3.35Å; S160-L164 PolarHBondContact O-N 2.94Å; D161-L164 PolarHBondContact O-N 3.15Å; Q162-L164 PolarHBondContact O-N 2.89Å; L164-D166 VanDerWaalsContact C-N 3.34Å; L164-D166 PolarHBondContact O-N 3.28Å; L164-L167 WeakPolarHBondContact O-CB 3.38Å; L164-L167 PolarHBondContact O-N 3.36Å; L164-I168 VanDerWaalsContact O-CG1 3.3Å; L164-I168 WeakPolarHBondContact O-CG1 3.46Å; L164-I168 PolarHBondContact O-N 3.34Å |
| 165 | N | 71.2 | Confident | 53.5 | Low | 94 Ų | 94 | 125.9 Ų | 125.9 | 50% | 0.503 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.1 | -39.6 | 178.1 | -80.2 | -60.5 | 0 | 0 | 0 | 112.2 | D161 Q162 I168 R169 | D161-N165 WeakPolarHBondContact O-CB 3Å; D161-N165 PolarHBondContact O-N 2.96Å; D161-N165 PolarHBondContact O-ND2 3.14Å; Q162-N165 PolarHBondContact O-N 3.37Å; N165-I168 PolarHBondContact O-N 3.28Å; N165-R169 WeakPolarHBondContact O-CG 3.44Å; N165-R169 PolarHBondContact O-N 3.16Å |
| 166 | D | 70.1 | Confident | 53.3 | Low | 73 Ų | 73 | 123.6 Ų | 123.6 | 39% | 0.39 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.3 | -32.2 | 178.9 | -143.7 | 46 | 0 | 0 | 0 | 112.1 | Q162 L164 K170 | Q162-D166 VanDerWaalsContact O-CB 3.31Å; Q162-D166 WeakPolarHBondContact O-CB 3.28Å; Q162-D166 PolarHBondContact O-N 3.21Å; L164-D166 VanDerWaalsContact C-N 3.34Å; L164-D166 PolarHBondContact O-N 3.28Å; D166-K170 WeakPolarHBondContact O-CB 3.22Å; D166-K170 WeakPolarHBondContact O-CD 3.43Å; D166-K170 WeakPolarHBondContact O-CG 3.43Å; D166-K170 PolarHBondContact O-N 3.1Å; D166-K170 VanDerWaalsContact O-N 3.17Å; D166-K170 IonicContact OD2-NZ 3.2Å; D166-K170 PolarHBondContact OD2-NZ 2.89Å |
| 167 | L | 63.7 | Low | 53.5 | Low | 90 Ų | 90 | 120.4 Ų | 120.4 | 47% | 0.471 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.2 | -47 | 171 | -161.6 | 80.3 | 0 | 0 | 0 | 111.3 | F163 L164 K170 T171 | F163-L167 WeakPolarHBondContact O-CB 3.37Å; F163-L167 PolarHBondContact O-N 3.38Å; L164-L167 WeakPolarHBondContact O-CB 3.38Å; L164-L167 PolarHBondContact O-N 3.36Å; L167-K170 PolarHBondContact O-N 3.43Å; L167-T171 PolarHBondContact O-N 3.38Å; L167-T171 PolarHBondContact O-OG1 3.45Å; L167-T171 VanDerWaalsContact O-OG1 3.1Å |
| 168 | I | 65.4 | Low | 53.1 | Low | 86 Ų | 86 | 122.3 Ų | 122.3 | 44% | 0.441 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.3 | -47.6 | 178.6 | -68.1 | 163.6 | 0 | 0 | 0 | 110.7 | L164 N165 K170 T171 V172 | L164-I168 VanDerWaalsContact O-CG1 3.3Å; L164-I168 WeakPolarHBondContact O-CG1 3.46Å; L164-I168 PolarHBondContact O-N 3.34Å; N165-I168 PolarHBondContact O-N 3.28Å; I168-K170 PolarHBondContact O-N 3.2Å; I168-T171 PolarHBondContact O-N 3.27Å; I168-T171 PolarHBondContact O-OG1 3.34Å; I168-T171 VanDerWaalsContact O-OG1 3.14Å; I168-V172 HydrophobicContact CG2-CG2 4.27Å; I168-V172 WeakPolarHBondContact O-CG2 3.37Å; I168-V172 PolarHBondContact O-N 2.8Å |
| 169 | R | 61.8 | Low | 52.6 | Low | 181 Ų | 181 | 128.8 Ų | 128.8 | 68% | 0.683 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -57.4 | -36.6 | 175.7 | -75.3 | 178.8 | 178.6 | -166.5 | 0.1 | 112.5 | N165 R173 | N165-R169 WeakPolarHBondContact O-CG 3.44Å; N165-R169 PolarHBondContact O-N 3.16Å; R169-R173 PolarHBondContact O-N 2.95Å |
| 170 | K | 59.3 | Low | 52.2 | Low | 131 Ų | 131 | 127.2 Ų | 127.2 | 57% | 0.57 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -79 | -24.5 | -180 | -76.7 | 166.9 | 179.4 | 155.2 | 0 | 114.3 | D166 L167 I168 | D166-K170 WeakPolarHBondContact O-CB 3.22Å; D166-K170 WeakPolarHBondContact O-CD 3.43Å; D166-K170 WeakPolarHBondContact O-CG 3.43Å; D166-K170 PolarHBondContact O-N 3.1Å; D166-K170 VanDerWaalsContact O-N 3.17Å; D166-K170 IonicContact OD2-NZ 3.2Å; D166-K170 PolarHBondContact OD2-NZ 2.89Å; L167-K170 PolarHBondContact O-N 3.43Å; I168-K170 PolarHBondContact O-N 3.2Å |
| 171 | T | 51.2 | Low | 51 | Low | 95 Ų | 95 | 133.1 Ų | 133.1 | 58% | 0.583 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -82.5 | -37.6 | 170.3 | 35 | 0 | 0 | 0 | 0 | 113 | L167 I168 R173 R174 | L167-T171 PolarHBondContact O-N 3.38Å; L167-T171 PolarHBondContact O-OG1 3.45Å; L167-T171 VanDerWaalsContact O-OG1 3.1Å; I168-T171 PolarHBondContact O-N 3.27Å; I168-T171 PolarHBondContact O-OG1 3.34Å; I168-T171 VanDerWaalsContact O-OG1 3.14Å; T171-R173 VanDerWaalsContact C-N 3.28Å; T171-R173 PolarHBondContact O-N 2.95Å; T171-R174 PolarHBondContact O-N 3.4Å; T171-R174 VanDerWaalsContact O-N 3.15Å |
| 172 | V | 46.1 | Very low | 50.1 | Low | 102 Ų | 102 | 139 Ų | 139 | 62% | 0.618 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -62.2 | -34.5 | 178.5 | 171.1 | 0 | 0 | 0 | 0 | 112 | I168 R174 | I168-V172 HydrophobicContact CG2-CG2 4.27Å; I168-V172 WeakPolarHBondContact O-CG2 3.37Å; I168-V172 PolarHBondContact O-N 2.8Å; V172-R174 PolarHBondContact O-N 2.84Å |
| 173 | R | 46.2 | Very low | 48.3 | Very low | 233 Ų | 233 | 140.3 Ų | 140.3 | 88% | 0.879 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 10.7 | 176.5 | -70.6 | -170.7 | 173.6 | -162.3 | -1.6 | 115.3 | R169 T171 | R169-R173 PolarHBondContact O-N 2.95Å; T171-R173 VanDerWaalsContact C-N 3.28Å; T171-R173 PolarHBondContact O-N 2.95Å |
| 174 | R | 40.2 | Very low | 47.1 | Very low | 223 Ų | 223 | 144.1 Ų | 144.1 | 84% | 0.842 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.7 | 9.8 | -172.8 | -123.9 | 177.9 | -179.7 | 133.1 | 1.3 | 115.7 | T171 V172 | T171-R174 PolarHBondContact O-N 3.4Å; T171-R174 VanDerWaalsContact O-N 3.15Å; V172-R174 PolarHBondContact O-N 2.84Å |
| 175 | S | 31.4 | Very low | 45.5 | Very low | 87 Ų | 87 | 144.7 Ų | 144.7 | 61% | 0.608 | 71% | 0.705 | S | S | * | * | trans | -89.6 | 132.9 | 171.5 | 53.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 176 | V | 34.2 | Very low | 43.7 | Very low | 110 Ų | 110 | 146.6 Ų | 146.6 | 67% | 0.667 | 72% | 0.72 | S | S | * | * | trans | 76.3 | 116.1 | 168.9 | -164.8 | 0 | 0 | 0 | 0 | 114 | T178 | V176-T178 HydrophobicContact CG1-CG2 4.07Š| ||
| 177 | P | 36.8 | Very low | 42.2 | Very low | 131 Ų | 131 | 152.8 Ų | 152.8 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | -112.2 | 123.6 | 95.3 | -10.3 | 28.5 | 0 | 0 | 0 | 113 | |||||
| 178 | T | 33 | Very low | 40.8 | Very low | 117 Ų | 117 | 152.3 Ų | 152.3 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | trans | -67.9 | 125.9 | 166.5 | 25.3 | 0 | 0 | 0 | 0 | 109.3 | V176 | V176-T178 HydrophobicContact CG1-CG2 4.07Š| ||
| 179 | R | 36.8 | Very low | 39.3 | Very low | 234 Ų | 234 | 156.7 Ų | 156.7 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -111.2 | 110.9 | 162.9 | -97.4 | -173.3 | 171.4 | -178.5 | -2.5 | 109.5 | ||||
| 180 | E | 33.4 | Very low | 37.8 | Very low | 169 Ų | 169 | 154.4 Ų | 154.4 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -65.9 | 136.3 | 176.6 | -55.6 | 168.2 | 172.1 | 0 | 0 | 110.5 | ||||
| 181 | F | 35.8 | Very low | 36.5 | Very low | 200 Ų | 200 | 151.6 Ų | 151.6 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -136.2 | 131 | 157.7 | -92.2 | -82 | 0 | 0 | 0 | 109.8 | ||||
| 182 | K | 37 | Very low | 35.5 | Very low | 197 Ų | 197 | 158.4 Ų | 158.4 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | trans | -78.3 | 143.5 | -162.4 | -74.6 | 172.2 | 171.3 | 172 | 0 | 113.6 | ||||
| 183 | N | 28.4 | Very low | 34.6 | Very low | 167 Ų | 167 | 159.5 Ų | 159.5 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | trans | -75.3 | 134.9 | 165.2 | -68.4 | -29.9 | 0 | 0 | 0 | 111.7 | ||||
| 184 | K | 40.8 | Very low | 33.7 | Very low | 204 Ų | 204 | 154 Ų | 154 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | trans | -155.3 | 145 | 159.1 | -75.2 | -172.8 | 176.4 | -174.7 | 0 | 105.9 | ||||
| 185 | S | 33.6 | Very low | 33.2 | Very low | 114 Ų | 114 | 149.8 Ų | 149.8 | 80% | 0.797 | 84% | 0.835 | S | S | * | * | cis | -159.6 | 142.9 | -17.9 | -179.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 186 | T | 32.3 | Very low | 33.1 | Very low | 134 Ų | 134 | 150.2 Ų | 150.2 | 82% | 0.822 | 84% | 0.838 | S | S | * | * | trans | -73.6 | 129.8 | 176.6 | 39.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 187 | Q | 38.7 | Very low | 33.1 | Very low | 204 Ų | 204 | 152.3 Ų | 152.3 | 95% | 0.953 | 85% | 0.846 | S | S | * | * | trans | -166.1 | 146.2 | 155 | -114.8 | 175.1 | 0.7 | 0 | 0 | 110.2 | ||||
| 188 | G | 35.4 | Very low | 32.8 | Very low | 80 Ų | 80 | 149.7 Ų | 149.7 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | trans | 110.1 | 77.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 189 | L | 31.9 | Very low | 32.7 | Very low | 177 Ų | 177 | 149 Ų | 149 | 93% | 0.927 | 84% | 0.843 | S | S | * | * | trans | -75.1 | 166.5 | 165.2 | -76.7 | 157.1 | 0 | 0 | 0 | 111.5 | ||||
| 190 | S | 30.6 | Very low | 32.7 | Very low | 133 Ų | 133 | 148.6 Ų | 148.6 | 93% | 0.93 | 84% | 0.843 | S | S | * | * | trans | 94.5 | 134.4 | 166.4 | -158 | 0 | 0 | 0 | 0 | 117 | ||||
| 191 | G | 33.6 | Very low | 33 | Very low | 73 Ų | 73 | 151.8 Ų | 151.8 | 75% | 0.753 | 85% | 0.847 | S | S | * | * | trans | 126.1 | 47.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | C193 | G191-C193 PolarHBondContact O-N 3.15Š| ||
| 192 | Y | 28.4 | Very low | 32.9 | Very low | 238 Ų | 238 | 147.7 Ų | 147.7 | 93% | 0.933 | 84% | 0.843 | S | S | * | * | trans | -72.4 | 113.7 | 160.9 | -101.5 | -96 | 0 | 0 | 0 | 109.6 | ||||
| 193 | C | 27.2 | Very low | 32.8 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 85% | 0.845 | 84% | 0.843 | S | S | * | * | trans | -164.3 | 145.8 | 150.6 | -106.5 | 0 | 0 | 0 | 0 | 113.6 | G191 | G191-C193 PolarHBondContact O-N 3.15Š| ||
| 194 | S | 27.5 | Very low | 33 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | trans | -47.8 | 130.8 | -175.6 | -59.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 195 | C | 30.7 | Very low | 32.8 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 91% | 0.905 | 84% | 0.836 | S | S | * | * | trans | -98 | 88.7 | 163 | -66.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 196 | S | 29.2 | Very low | 32.9 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 67% | 0.671 | 84% | 0.838 | S | S | * | * | trans | -74.7 | 155.4 | 153.9 | 51.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 197 | N | 33.9 | Very low | 33 | Very low | 154 Ų | 154 | 142.4 Ų | 142.4 | 82% | 0.824 | 84% | 0.839 | S | S | * | * | S | Bend | trans | 57.3 | 81.8 | 170.3 | -60.9 | -11.6 | 0 | 0 | 0 | 116.8 | S199 | N197-S199 PolarHBondContact O-N 3.19Š|
| 198 | G | 31.3 | Very low | 32.7 | Very low | 75 Ų | 75 | 140.8 Ų | 140.8 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | trans | -66.9 | 85.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 199 | S | 29.9 | Very low | 32.8 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | trans | -84.2 | 108.1 | 168.6 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | N197 R201 | N197-S199 PolarHBondContact O-N 3.19Å; S199-R201 PolarHBondContact O-N 3.45Å | ||
| 200 | Y | 37.8 | Very low | 32.9 | Very low | 225 Ų | 225 | 141.2 Ų | 141.2 | 88% | 0.882 | 82% | 0.822 | S | S | * | * | trans | -89.7 | 102.6 | 172.3 | -80.2 | -82.2 | 0 | 0 | 0 | 110.6 | ||||
| 201 | R | 39.9 | Very low | 33 | Very low | 236 Ų | 236 | 139.7 Ų | 139.7 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | trans | -70.1 | 143.4 | 171.6 | -76.8 | -178 | 170.1 | -119 | 0.8 | 111.6 | S199 | S199-R201 PolarHBondContact O-N 3.45Š| ||
| 202 | S | 31.9 | Very low | 33.1 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -64.9 | 138.8 | -179.5 | -47.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 203 | A | 35.6 | Very low | 33.6 | Very low | 102 Ų | 102 | 134 Ų | 134 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -116.8 | 104.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 204 | T | 33 | Very low | 34 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -113.4 | 111.7 | 177.5 | -50.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 205 | S | 36.6 | Very low | 34.4 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -116.5 | 117.6 | 166.4 | 44.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 206 | R | 35.5 | Very low | 34.7 | Very low | 224 Ų | 224 | 135.9 Ų | 135.9 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -76 | 170.3 | 169.4 | -73.7 | 179.2 | 167.6 | -176.1 | -4.9 | 110.1 | ||||
| 207 | P | 34.6 | Very low | 35.1 | Very low | 130 Ų | 130 | 137 Ų | 137 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | -121.3 | 165.3 | 116.2 | 33.9 | -30.8 | 0 | 0 | 0 | 113.9 | |||||
| 208 | M | 32.8 | Very low | 35 | Very low | 171 Ų | 171 | 134 Ų | 134 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | trans | -79.4 | 152.4 | -170.7 | -62 | 158.1 | 61.7 | 0 | 0 | 113.8 | ||||
| 209 | V | 37.4 | Very low | 35.4 | Very low | 129 Ų | 129 | 136 Ų | 136 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | trans | -142.2 | 120.1 | 139 | -177 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 210 | N | 34.4 | Very low | 35.4 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | 34.6 | 118.4 | 150.6 | -53.5 | -9.1 | 0 | 0 | 0 | 119.7 | ||||
| 211 | A | 32.9 | Very low | 35.4 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | 86.2 | 137.3 | 85.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 212 | A | 35.1 | Very low | 35.1 | Very low | 87 Ų | 87 | 124.6 Ų | 124.6 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | cis | -159.2 | 172.1 | -6.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 213 | S | 38.4 | Very low | 35.3 | Very low | 103 Ų | 103 | 124.6 Ų | 124.6 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | 80.1 | 122.2 | 152.8 | -51.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 214 | Q | 36.1 | Very low | 35 | Very low | 179 Ų | 179 | 129.5 Ų | 129.5 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | 65.6 | 148.4 | 143.3 | -65.1 | 177.8 | -27.8 | 0 | 0 | 120.3 | ||||
| 215 | D | 36.2 | Very low | 35.1 | Very low | 139 Ų | 139 | 131.2 Ų | 131.2 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | cis | -160.4 | 167 | -38.2 | -117 | -36.9 | 0 | 0 | 0 | 108.5 | ||||
| 216 | S | 37.1 | Very low | 34.8 | Very low | 100 Ų | 100 | 130 Ų | 130 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | -19.3 | 138.1 | 172.1 | 39.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 217 | S | 36.8 | Very low | 34.6 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | -173.4 | 155.5 | 66.4 | -57 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 218 | A | 32.8 | Very low | 34.7 | Very low | 93 Ų | 93 | 125 Ų | 125 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -116.7 | 173 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 219 | P | 39 | Very low | 35 | Very low | 116 Ų | 116 | 122.7 Ų | 122.7 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | cis | -152.6 | -179.8 | 42.1 | 41 | -17.6 | 0 | 0 | 0 | 119.6 | ||||
| 220 | S | 30.6 | Very low | 34.9 | Very low | 102 Ų | 102 | 121.6 Ų | 121.6 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | 56.9 | 115.5 | 147.1 | 62.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 221 | S | 36.8 | Very low | 35 | Very low | 108 Ų | 108 | 118.1 Ų | 118.1 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | 170.8 | 135.7 | 89.6 | 48.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 222 | S | 33 | Very low | 35 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | trans | 63.2 | 160.7 | 165.9 | 79.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 223 | P | 37.3 | Very low | 35.2 | Very low | 113 Ų | 113 | 126 Ų | 126 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | cis | -105.6 | 171.2 | -39.8 | 37.8 | -28.5 | 0 | 0 | 0 | 111.4 | Q225 | P223-Q225 PolarHBondContact O-N 3.11Š| ||
| 224 | E | 29.4 | Very low | 35.6 | Very low | 204 Ų | 204 | 129.5 Ų | 129.5 | 95% | 0.953 | 76% | 0.764 | S | S | * | * | trans | -70.4 | 78.2 | -175.2 | -64.9 | -177.2 | 129.2 | 0 | 0 | 114.4 | A226 | E224-A226 PolarHBondContact O-N 3.45Š| ||
| 225 | Q | 33.8 | Very low | 36.1 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -82.5 | 105.8 | 151.5 | -74.6 | -168.6 | 5.5 | 0 | 0 | 108.8 | P223 T227 | P223-Q225 PolarHBondContact O-N 3.11Å; Q225-T227 PolarHBondContact O-N 2.79Å | ||
| 226 | A | 30.3 | Very low | 36.5 | Very low | 94 Ų | 94 | 129 Ų | 129 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | trans | -67.3 | 81.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | E224 V228 | E224-A226 PolarHBondContact O-N 3.45Å; A226-V228 PolarHBondContact O-N 3.1Å | ||
| 227 | T | 31.1 | Very low | 36.6 | Very low | 107 Ų | 107 | 129 Ų | 129 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | trans | -61.1 | 96.5 | 169.5 | 44.5 | 0 | 0 | 0 | 0 | 109 | Q225 T229 | Q225-T227 PolarHBondContact O-N 2.79Å; T227-T229 VanDerWaalsContact C-N 3.32Å; T227-T229 PolarHBondContact O-N 3.14Å | ||
| 228 | V | 38.5 | Very low | 36.7 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | -64.8 | 94.7 | 173.7 | 179 | 0 | 0 | 0 | 0 | 108.4 | A226 S230 | A226-V228 PolarHBondContact O-N 3.1Å; V228-S230 VanDerWaalsContact C-N 3.32Å; V228-S230 PolarHBondContact O-N 3.42Å | ||
| 229 | T | 37.7 | Very low | 37.2 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | trans | -71.7 | 81.9 | -175.9 | 33.3 | 0 | 0 | 0 | 0 | 111.6 | T227 G231 | T227-T229 VanDerWaalsContact C-N 3.32Å; T227-T229 PolarHBondContact O-N 3.14Å; T229-G231 VanDerWaalsContact C-N 3.34Å; T229-G231 PolarHBondContact O-N 3.31Å | ||
| 230 | S | 34.9 | Very low | 37 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | 46.9 | 42.6 | 142.6 | -174 | 0 | 0 | 0 | 0 | 117.3 | V228 R232 | V228-S230 VanDerWaalsContact C-N 3.32Å; V228-S230 PolarHBondContact O-N 3.42Å; S230-R232 PolarHBondContact O-N 2.8Å | ||
| 231 | G | 37.1 | Very low | 37.6 | Very low | 65 Ų | 65 | 135.8 Ų | 135.8 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | trans | -72.3 | 102.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | T229 L233 | T229-G231 VanDerWaalsContact C-N 3.34Å; T229-G231 PolarHBondContact O-N 3.31Å; G231-L233 VanDerWaalsContact C-N 3.34Å; G231-L233 PolarHBondContact O-N 3.11Å | ||
| 232 | R | 33.9 | Very low | 37.9 | Very low | 199 Ų | 199 | 133.6 Ų | 133.6 | 75% | 0.751 | 75% | 0.748 | S | S | * | * | trans | -62 | 81.1 | -177.5 | -85.5 | 178.5 | 162.2 | -165.7 | -0.1 | 113.4 | S230 W234 | S230-R232 PolarHBondContact O-N 2.8Å; R232-W234 PolarHBondContact O-N 3.49Å | ||
| 233 | L | 37.7 | Very low | 38.6 | Very low | 155 Ų | 155 | 137 Ų | 137 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | -86.2 | 103.3 | 166.3 | -79.7 | 163.6 | 0 | 0 | 0 | 110 | G231 F235 | G231-L233 VanDerWaalsContact C-N 3.34Å; G231-L233 PolarHBondContact O-N 3.11Å; L233-F235 PolarHBondContact O-N 2.84Å | ||
| 234 | W | 48 | Very low | 39.1 | Very low | 176 Ų | 176 | 134 Ų | 134 | 67% | 0.667 | 73% | 0.732 | S | S | * | * | trans | -82.5 | 14.2 | -178.7 | -75.2 | 93.6 | 0 | 0 | 0 | 114.5 | R232 | R232-W234 PolarHBondContact O-N 3.49Š| ||
| 235 | F | 45.4 | Very low | 40.3 | Very low | 178 Ų | 178 | 129 Ų | 129 | 78% | 0.781 | 72% | 0.718 | S | S | * | * | trans | -115.6 | 114.6 | -176.2 | -63.7 | -79.4 | 0 | 0 | 0 | 109.9 | L233 | L233-F235 PolarHBondContact O-N 2.84Š| ||
| 236 | L | 46 | Very low | 41.1 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 68% | 0.675 | 71% | 0.712 | S | S | * | * | trans | -64 | 131.3 | 167.1 | -72.1 | 167 | 0 | 0 | 0 | 108.5 | L238 | L236-L238 PolarHBondContact O-N 3.01Š| ||
| 237 | P | 38.4 | Very low | 42.1 | Very low | 101 Ų | 101 | 123.5 Ų | 123.5 | 66% | 0.656 | 68% | 0.681 | S | S | * | * | trans | -56.9 | 125.8 | 166.7 | -21.1 | 32.8 | 0 | 0 | 0 | 109.1 | Q239 | P237-Q239 HydrophobicContact CB-CG 4.39Å; P237-Q239 PolarHBondContact O-N 3.39Å | ||
| 238 | L | 40 | Very low | 43.3 | Very low | 178 Ų | 178 | 123.7 Ų | 123.7 | 93% | 0.932 | 68% | 0.677 | S | S | * | * | trans | -73.7 | 85 | 166.9 | -69.7 | 172 | 0 | 0 | 0 | 107 | L236 S240 | L236-L238 PolarHBondContact O-N 3.01Å; L238-S240 PolarHBondContact O-N 2.96Å | ||
| 239 | Q | 42.8 | Very low | 44.1 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 56% | 0.556 | 67% | 0.669 | S | S | * | * | trans | -62.1 | 121 | -179.2 | -80.5 | 175.6 | -9.2 | 0 | 0 | 110.3 | P237 S247 | P237-Q239 HydrophobicContact CB-CG 4.39Å; P237-Q239 PolarHBondContact O-N 3.39Å; Q239-S247 VanDerWaalsContact NE2-CB 3.28Å | ||
| 240 | S | 35.2 | Very low | 45 | Very low | 98 Ų | 98 | 120 Ų | 120 | 69% | 0.685 | 65% | 0.65 | S | S | * | * | trans | -55.9 | 159 | 144.9 | 43.9 | 0 | 0 | 0 | 0 | 109.5 | L238 A242 | L238-S240 PolarHBondContact O-N 2.96Å; S240-A242 PolarHBondContact O-N 3.31Å | ||
| 241 | N | 42.2 | Very low | 46.2 | Very low | 175 Ų | 175 | 118.6 Ų | 118.6 | 94% | 0.936 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -71.4 | 49.3 | -172.6 | -60.5 | -20.1 | 0 | 0 | 0 | 114.1 | ||
| 242 | A | 42.1 | Very low | 47.5 | Very low | 63 Ų | 63 | 119.2 Ų | 119.2 | 52% | 0.521 | 62% | 0.622 | S | S | . | * | trans | -95.9 | 106.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | S240 S244 | S240-A242 PolarHBondContact O-N 3.31Å; A242-S244 PolarHBondContact O-N 2.84Å | ||
| 243 | E | 48.4 | Very low | 48.9 | Very low | 188 Ų | 188 | 112.2 Ų | 112.2 | 88% | 0.879 | 60% | 0.604 | S | S | * | * | trans | -70.3 | 66.8 | 172.2 | -63.5 | -175.2 | 154.6 | 0 | 0 | 110.5 | ||||
| 244 | S | 49.1 | Very low | 50 | Low | 48 Ų | 48 | 108.2 Ų | 108.2 | 34% | 0.336 | 58% | 0.583 | S | S | . | * | trans | -71 | 134.6 | 173.2 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | A242 L246 S247 | A242-S244 PolarHBondContact O-N 2.84Å; S244-L246 PolarHBondContact O-N 3.48Å; S244-L246 PolarHBondContact OG-N 3Å; S244-S247 WeakPolarHBondContact O-CB 3.46Å; S244-S247 PolarHBondContact O-N 3.43Å; S244-S247 PolarHBondContact O-OG 3.48Å | ||
| 245 | P | 54.4 | Low | 50.9 | Low | 101 Ų | 101 | 105.7 Ų | 105.7 | 66% | 0.656 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -58.4 | -22.4 | 176 | 22.4 | -33.1 | 0 | 0 | 0 | 113.3 | S247 Q249 | P245-S247 VanDerWaalsContact C-N 3.32Å; P245-S247 PolarHBondContact O-N 3.14Å; P245-Q249 PolarHBondContact O-N 2.61Å |
| 246 | L | 49.9 | Very low | 52.1 | Low | 125 Ų | 125 | 102.5 Ų | 102.5 | 65% | 0.654 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70.5 | -23.3 | 173.5 | -63.2 | 172 | 0 | 0 | 0 | 113.3 | S244 A250 | S244-L246 PolarHBondContact O-N 3.48Å; S244-L246 PolarHBondContact OG-N 3Å; L246-A250 WeakPolarHBondContact O-CB 3.23Å; L246-A250 PolarHBondContact O-N 2.75Å; L246-A250 VanDerWaalsContact O-N 3.16Å |
| 247 | S | 52.1 | Low | 53.5 | Low | 19 Ų | 19 | 106.4 Ų | 106.4 | 13% | 0.133 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -73.6 | -43.1 | 175.4 | 74.7 | 0 | 0 | 0 | 0 | 111.5 | Q239 S244 P245 A250 D251 | Q239-S247 VanDerWaalsContact NE2-CB 3.28Å; S244-S247 WeakPolarHBondContact O-CB 3.46Å; S244-S247 PolarHBondContact O-N 3.43Å; S244-S247 PolarHBondContact O-OG 3.48Å; P245-S247 VanDerWaalsContact C-N 3.32Å; P245-S247 PolarHBondContact O-N 3.14Å; S247-A250 PolarHBondContact O-N 3.24Å; S247-D251 PolarHBondContact O-N 2.88Å |
| 248 | L | 54.5 | Low | 55.1 | Low | 110 Ų | 110 | 107.7 Ų | 107.7 | 58% | 0.576 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -58.7 | -49 | 174.9 | -74.9 | 160.8 | 0 | 0 | 0 | 111 | A250 D251 D252 | L248-A250 VanDerWaalsContact C-N 3.3Å; L248-A250 PolarHBondContact O-N 3.44Å; L248-D251 PolarHBondContact O-N 3.11Å; L248-D252 PolarHBondContact O-N 3.42Å |
| 249 | Q | 55.5 | Low | 57 | Low | 144 Ų | 144 | 102.1 Ų | 102.1 | 67% | 0.673 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.8 | -33.8 | 179.3 | -150.9 | 177.8 | 40.1 | 0 | 0 | 112.5 | P245 S253 | P245-Q249 PolarHBondContact O-N 2.61Å; Q249-S253 WeakPolarHBondContact O-CB 3.38Å; Q249-S253 PolarHBondContact O-N 3.37Å; Q249-S253 VanDerWaalsContact O-N 3.09Å |
| 250 | A | 57.9 | Low | 58.8 | Low | 44 Ų | 44 | 102.3 Ų | 102.3 | 36% | 0.364 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.9 | -46 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L246 S247 L248 D252 S253 L254 | L246-A250 WeakPolarHBondContact O-CB 3.23Å; L246-A250 PolarHBondContact O-N 2.75Å; L246-A250 VanDerWaalsContact O-N 3.16Å; S247-A250 PolarHBondContact O-N 3.24Å; L248-A250 VanDerWaalsContact C-N 3.3Å; L248-A250 PolarHBondContact O-N 3.44Å; A250-D252 PolarHBondContact O-N 3.4Å; A250-S253 PolarHBondContact O-N 2.8Å; A250-S253 PolarHBondContact O-OG 2.96Å; A250-L254 WeakPolarHBondContact O-CG 3.42Å; A250-L254 PolarHBondContact O-N 3.31Å |
| 251 | D | 60.1 | Low | 60.8 | Low | 76 Ų | 76 | 100.3 Ų | 100.3 | 41% | 0.406 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 178.5 | -95.3 | -4.1 | 0 | 0 | 0 | 112 | S247 L248 L254 R255 | S247-D251 PolarHBondContact O-N 2.88Å; L248-D251 PolarHBondContact O-N 3.11Å; D251-L254 PolarHBondContact O-N 2.7Å; D251-R255 WeakPolarHBondContact O-CG 3.3Å; D251-R255 PolarHBondContact O-N 3.41Å |
| 252 | D | 63.4 | Low | 62.4 | Low | 77 Ų | 77 | 93.1 Ų | 93.1 | 41% | 0.412 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.4 | -33.6 | 174.6 | -73.1 | -22.4 | 0 | 0 | 0 | 112.7 | L248 A250 L254 R255 T256 | L248-D252 PolarHBondContact O-N 3.42Å; A250-D252 PolarHBondContact O-N 3.4Å; D252-L254 VanDerWaalsContact C-N 3.28Å; D252-L254 PolarHBondContact O-N 3.2Å; D252-R255 PolarHBondContact O-N 2.66Å; D252-R255 WeakPolarHBondContact OD1-CD 3.39Å; D252-R255 IonicContact OD1-CZ 2.7Å; D252-R255 IonicContact OD1-NH1 2.87Å; D252-R255 PolarHBondContact OD1-NH1 2.94Å; D252-T256 WeakPolarHBondContact O-CG2 3.42Å; D252-T256 PolarHBondContact O-N 2.84Å; D252-T256 PolarHBondContact O-OG1 2.96Å |
| 253 | S | 63.9 | Low | 64 | Low | 53 Ų | 53 | 98 Ų | 98 | 37% | 0.371 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -30.8 | 170 | 85.4 | 0 | 0 | 0 | 0 | 112.8 | Q249 A250 T256 R257 | Q249-S253 WeakPolarHBondContact O-CB 3.38Å; Q249-S253 PolarHBondContact O-N 3.37Å; Q249-S253 VanDerWaalsContact O-N 3.09Å; A250-S253 PolarHBondContact O-N 2.8Å; A250-S253 PolarHBondContact O-OG 2.96Å; S253-T256 WeakPolarHBondContact CA-OG1 3.47Å; S253-T256 PolarHBondContact O-OG1 3.08Å; S253-T256 VanDerWaalsContact O-OG1 3.1Å; S253-R257 VanDerWaalsContact O-CB 3.31Å; S253-R257 WeakPolarHBondContact O-CB 3.29Å; S253-R257 VanDerWaalsContact O-CG 3.31Å; S253-R257 WeakPolarHBondContact O-CG 3.36Å; S253-R257 PolarHBondContact O-N 3.38Å |
| 254 | L | 61.7 | Low | 65.3 | Low | 70 Ų | 70 | 92.8 Ų | 92.8 | 37% | 0.366 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -78.4 | -37.2 | 175.4 | -71.2 | 172.9 | 0 | 0 | 0 | 112.1 | A250 D251 D252 R258 V262 | A250-L254 WeakPolarHBondContact O-CG 3.42Å; A250-L254 PolarHBondContact O-N 3.31Å; D251-L254 PolarHBondContact O-N 2.7Å; D252-L254 VanDerWaalsContact C-N 3.28Å; D252-L254 PolarHBondContact O-N 3.2Å; L254-R258 CarbonylContact O-C 3.44Å; L254-R258 WeakPolarHBondContact O-CA 3.39Å; L254-R258 PolarHBondContact O-N 2.87Å; L254-V262 HydrophobicContact CB-CG2 4.29Å |
| 255 | R | 66.4 | Low | 66.5 | Low | 124 Ų | 124 | 93.8 Ų | 93.8 | 47% | 0.468 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.9 | -48.7 | 173.3 | -79.6 | 167.4 | 166.7 | 168.1 | -3.5 | 111.9 | D251 D252 P259 V262 | D251-R255 WeakPolarHBondContact O-CG 3.3Å; D251-R255 PolarHBondContact O-N 3.41Å; D252-R255 PolarHBondContact O-N 2.66Å; D252-R255 WeakPolarHBondContact OD1-CD 3.39Å; D252-R255 IonicContact OD1-CZ 2.7Å; D252-R255 IonicContact OD1-NH1 2.87Å; D252-R255 PolarHBondContact OD1-NH1 2.94Å; R255-P259 WeakPolarHBondContact O-CD 3.21Å; R255-V262 HydrophobicContact CG-CB 4.44Å; R255-V262 HydrophobicContact CG-CG1 3.96Å; R255-V262 HydrophobicContact CG-CG2 4.11Å |
| 256 | T | 69.3 | Low | 67.9 | Low | 111 Ų | 111 | 93 Ų | 93 | 68% | 0.681 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.9 | -45.5 | 178.8 | 48.9 | 0 | 0 | 0 | 0 | 112.3 | D252 S253 | D252-T256 WeakPolarHBondContact O-CG2 3.42Å; D252-T256 PolarHBondContact O-N 2.84Å; D252-T256 PolarHBondContact O-OG1 2.96Å; S253-T256 WeakPolarHBondContact CA-OG1 3.47Å; S253-T256 PolarHBondContact O-OG1 3.08Å; S253-T256 VanDerWaalsContact O-OG1 3.1Å |
| 257 | R | 75.2 | Confident | 69.3 | Low | 211 Ų | 211 | 91.5 Ų | 91.5 | 80% | 0.796 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -79.5 | -29.4 | -176.9 | -68 | -178.9 | 173.1 | -153.6 | -2.7 | 114.7 | S253 | S253-R257 VanDerWaalsContact O-CB 3.31Å; S253-R257 WeakPolarHBondContact O-CB 3.29Å; S253-R257 VanDerWaalsContact O-CG 3.31Å; S253-R257 WeakPolarHBondContact O-CG 3.36Å; S253-R257 PolarHBondContact O-N 3.38Å |
| 258 | R | 73.9 | Confident | 70.5 | Confident | 128 Ų | 128 | 96 Ų | 96 | 48% | 0.483 | 47% | 0.471 | S | S | . | . | trans | -146.4 | 62.6 | -172.9 | -65.8 | -170.1 | 176.3 | 174.8 | -1 | 113.3 | L254 H260 V261 V262 | L254-R258 CarbonylContact O-C 3.44Å; L254-R258 WeakPolarHBondContact O-CA 3.39Å; L254-R258 PolarHBondContact O-N 2.87Å; R258-H260 PolarHBondContact O-N 3.46Å; R258-V261 HydrophobicContact CB-CB 4.06Å; R258-V261 HydrophobicContact CB-CG2 3.94Å; R258-V261 PolarHBondContact O-N 3.27Å; R258-V262 PolarHBondContact O-N 3.17Å | ||
| 259 | P | 79.3 | Confident | 71.8 | Confident | 60 Ų | 60 | 97.5 Ų | 97.5 | 39% | 0.39 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.3 | -24.1 | -176.4 | 24.7 | -35.2 | 0 | 0 | 0 | 114.1 | R255 R263 | R255-P259 WeakPolarHBondContact O-CD 3.21Å; P259-R263 WeakPolarHBondContact O-CB 3.4Å; P259-R263 WeakPolarHBondContact O-CG 3.45Å; P259-R263 PolarHBondContact O-N 3.11Å; P259-R263 VanDerWaalsContact O-N 3.13Å; P259-R263 PolarHBondContact O-NE 3.41Å |
| 260 | H | 79.4 | Confident | 73.1 | Confident | 123 Ų | 123 | 93.9 Ų | 93.9 | 57% | 0.569 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -74.2 | -31.7 | 174.9 | 61.8 | -93 | 0 | 0 | 0 | 113 | R258 S264 | R258-H260 PolarHBondContact O-N 3.46Å; H260-S264 VanDerWaalsContact O-CB 3.32Å; H260-S264 WeakPolarHBondContact O-CB 3.36Å; H260-S264 PolarHBondContact O-N 2.88Å; H260-S264 VanDerWaalsContact O-N 3.16Å |
| 261 | V | 78 | Confident | 74 | Confident | 56 Ų | 56 | 96 Ų | 96 | 34% | 0.339 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -72.6 | -44.5 | 175.4 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | R258 S264 I265 | R258-V261 HydrophobicContact CB-CB 4.06Å; R258-V261 HydrophobicContact CB-CG2 3.94Å; R258-V261 PolarHBondContact O-N 3.27Å; V261-S264 WeakPolarHBondContact O-CB 3.28Å; V261-S264 PolarHBondContact O-N 3.35Å; V261-S264 VanDerWaalsContact O-N 3.16Å; V261-I265 HydrophobicContact CG1-CD1 3.82Å; V261-I265 HydrophobicContact CG1-CG1 4.39Å; V261-I265 WeakPolarHBondContact O-CG1 3.44Å; V261-I265 PolarHBondContact O-N 2.95Å |
| 262 | V | 75.8 | Confident | 75 | Confident | 24 Ų | 24 | 95 Ų | 95 | 15% | 0.145 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -60.2 | -51.5 | 177.8 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | L254 R255 R258 S264 I265 E266 | L254-V262 HydrophobicContact CB-CG2 4.29Å; R255-V262 HydrophobicContact CG-CB 4.44Å; R255-V262 HydrophobicContact CG-CG1 3.96Å; R255-V262 HydrophobicContact CG-CG2 4.11Å; R258-V262 PolarHBondContact O-N 3.17Å; V262-S264 PolarHBondContact O-N 3.13Å; V262-I265 PolarHBondContact O-N 2.99Å; V262-E266 HydrophobicContact CG1-CG 4.23Å; V262-E266 WeakPolarHBondContact CG1-OE1 3.03Å; V262-E266 WeakPolarHBondContact O-CG 3.4Å; V262-E266 PolarHBondContact O-N 3.38Å |
| 263 | R | 76.8 | Confident | 76 | Confident | 165 Ų | 165 | 98.7 Ų | 98.7 | 62% | 0.623 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -55.6 | -35.6 | 174.1 | -80.4 | -175.8 | -82.2 | 155.8 | -14.9 | 113.6 | P259 N267 | P259-R263 WeakPolarHBondContact O-CB 3.4Å; P259-R263 WeakPolarHBondContact O-CG 3.45Å; P259-R263 PolarHBondContact O-N 3.11Å; P259-R263 VanDerWaalsContact O-N 3.13Å; P259-R263 PolarHBondContact O-NE 3.41Å; R263-N267 WeakPolarHBondContact O-CB 3.49Å; R263-N267 PolarHBondContact O-N 3.13Å |
| 264 | S | 75.6 | Confident | 76.9 | Confident | 80 Ų | 80 | 101.5 Ų | 101.5 | 56% | 0.559 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -69.9 | -41.4 | 176.4 | -173.7 | 0 | 0 | 0 | 0 | 112.3 | H260 V261 V262 R268 | H260-S264 VanDerWaalsContact O-CB 3.32Å; H260-S264 WeakPolarHBondContact O-CB 3.36Å; H260-S264 PolarHBondContact O-N 2.88Å; H260-S264 VanDerWaalsContact O-N 3.16Å; V261-S264 WeakPolarHBondContact O-CB 3.28Å; V261-S264 PolarHBondContact O-N 3.35Å; V261-S264 VanDerWaalsContact O-N 3.16Å; V262-S264 PolarHBondContact O-N 3.13Å; S264-R268 WeakPolarHBondContact O-CB 3.4Å; S264-R268 PolarHBondContact O-N 3.36Å |
| 265 | I | 74.2 | Confident | 77.7 | Confident | 68 Ų | 68 | 98.7 Ų | 98.7 | 35% | 0.349 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66 | -44.1 | 174.9 | -68.1 | 168.8 | 0 | 0 | 0 | 110.6 | V261 V262 R268 R269 | V261-I265 HydrophobicContact CG1-CD1 3.82Å; V261-I265 HydrophobicContact CG1-CG1 4.39Å; V261-I265 WeakPolarHBondContact O-CG1 3.44Å; V261-I265 PolarHBondContact O-N 2.95Å; V262-I265 PolarHBondContact O-N 2.99Å; I265-R268 PolarHBondContact O-N 3.47Å; I265-R269 HydrophobicContact CG2-CG 4.4Å; I265-R269 WeakPolarHBondContact O-CB 3.5Å; I265-R269 WeakPolarHBondContact O-CG 3.4Å; I265-R269 PolarHBondContact O-N 2.83Å |
| 266 | E | 82.4 | Confident | 78.3 | Confident | 84 Ų | 84 | 101.7 Ų | 101.7 | 39% | 0.393 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 177.7 | -71.8 | 169.5 | 160.7 | 0 | 0 | 111.4 | V262 R268 R269 E270 | V262-E266 HydrophobicContact CG1-CG 4.23Å; V262-E266 WeakPolarHBondContact CG1-OE1 3.03Å; V262-E266 WeakPolarHBondContact O-CG 3.4Å; V262-E266 PolarHBondContact O-N 3.38Å; E266-R268 VanDerWaalsContact C-N 3.31Å; E266-R268 PolarHBondContact O-N 3.49Å; E266-R269 PolarHBondContact O-N 2.95Å; E266-E270 WeakPolarHBondContact O-CB 3.48Å; E266-E270 PolarHBondContact O-N 2.93Å |
| 267 | N | 79.8 | Confident | 79 | Confident | 95 Ų | 95 | 100.2 Ų | 100.2 | 51% | 0.508 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 174.6 | -172.1 | -17.5 | 0 | 0 | 0 | 111.7 | R263 E270 R271 | R263-N267 WeakPolarHBondContact O-CB 3.49Å; R263-N267 PolarHBondContact O-N 3.13Å; N267-E270 PolarHBondContact O-N 3.43Å; N267-R271 WeakPolarHBondContact O-CB 3.34Å; N267-R271 PolarHBondContact O-N 3.45Å |
| 268 | R | 76.7 | Confident | 79.3 | Confident | 112 Ų | 112 | 91.8 Ų | 91.8 | 42% | 0.423 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.5 | -45 | 173.7 | -169.9 | 177.2 | -175.1 | -142.8 | -3.8 | 112.2 | S264 I265 E266 E270 R271 L272 D320 | S264-R268 WeakPolarHBondContact O-CB 3.4Å; S264-R268 PolarHBondContact O-N 3.36Å; I265-R268 PolarHBondContact O-N 3.47Å; E266-R268 VanDerWaalsContact C-N 3.31Å; E266-R268 PolarHBondContact O-N 3.49Å; R268-E270 VanDerWaalsContact C-N 3.27Å; R268-E270 PolarHBondContact O-N 2.87Å; R268-R271 PolarHBondContact O-N 2.94Å; R268-L272 HydrophobicContact CG-CD1 4.19Å; R268-L272 WeakPolarHBondContact O-CB 3.44Å; R268-L272 VanDerWaalsContact O-CG 3.28Å; R268-L272 WeakPolarHBondContact O-CG 3.47Å; R268-L272 PolarHBondContact O-N 3.38Å; R268-D320 IonicContact CZ-OD1 3.91Å; R268-D320 IonicContact NE-OD1 2.67Å; R268-D320 PolarHBondContact NE-OD1 3.2Å; R268-D320 IonicContact NH2-OD1 2.94Å; R268-D320 PolarHBondContact NH2-OD1 3.26Å |
| 269 | R | 82.5 | Confident | 79.6 | Confident | 142 Ų | 142 | 92.9 Ų | 92.9 | 54% | 0.536 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -56.5 | -44.2 | 174.4 | -77.6 | 175.5 | 173.1 | 178.1 | -1.8 | 110.2 | I265 E266 L272 R273 | I265-R269 HydrophobicContact CG2-CG 4.4Å; I265-R269 WeakPolarHBondContact O-CB 3.5Å; I265-R269 WeakPolarHBondContact O-CG 3.4Å; I265-R269 PolarHBondContact O-N 2.83Å; E266-R269 PolarHBondContact O-N 2.95Å; R269-L272 PolarHBondContact O-N 2.99Å; R269-R273 WeakPolarHBondContact O-CG 3.43Å; R269-R273 PolarHBondContact O-N 3Å |
| 270 | E | 82.2 | Confident | 79.8 | Confident | 69 Ų | 69 | 93.8 Ų | 93.8 | 32% | 0.322 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.7 | -41.4 | -179.8 | -170 | 50.2 | -144 | 0 | 0 | 112.9 | E266 N267 R268 L272 R273 K274 | E266-E270 WeakPolarHBondContact O-CB 3.48Å; E266-E270 PolarHBondContact O-N 2.93Å; N267-E270 PolarHBondContact O-N 3.43Å; R268-E270 VanDerWaalsContact C-N 3.27Å; R268-E270 PolarHBondContact O-N 2.87Å; E270-L272 VanDerWaalsContact C-N 3.28Å; E270-L272 PolarHBondContact O-N 3.37Å; E270-R273 PolarHBondContact O-N 3.01Å; E270-R273 IonicContact OE2-CZ 2.66Å; E270-R273 IonicContact OE2-NH1 2.94Å; E270-R273 PolarHBondContact OE2-NH1 3.26Å; E270-K274 WeakPolarHBondContact O-CG 3.44Å; E270-K274 PolarHBondContact O-N 3.18Å; E270-K274 WeakPolarHBondContact OE1-CE 3.43Å |
| 271 | R | 77.9 | Confident | 80.1 | Confident | 87 Ų | 87 | 90.9 Ų | 90.9 | 33% | 0.328 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.6 | -39.2 | 171.2 | -169.7 | -178.9 | -58.1 | -160 | -1.2 | 112.1 | N267 R268 S275 F316 | N267-R271 WeakPolarHBondContact O-CB 3.34Å; N267-R271 PolarHBondContact O-N 3.45Å; R268-R271 PolarHBondContact O-N 2.94Å; R271-S275 WeakPolarHBondContact O-CB 3.44Å; R271-S275 PolarHBondContact O-N 3.16Å; R271-S275 PolarHBondContact O-OG 3.45Å; R271-F316 HydrophobicContact CG-CD1 4.06Å; R271-F316 HydrophobicContact CG-CE1 4.48Å |
| 272 | L | 80 | Confident | 80.5 | Confident | 57 Ų | 57 | 90.6 Ų | 90.6 | 30% | 0.298 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -70.7 | -33.9 | 176 | -70.5 | 170.5 | 0 | 0 | 0 | 112.7 | R268 R269 E270 S275 R276 | R268-L272 HydrophobicContact CG-CD1 4.19Å; R268-L272 WeakPolarHBondContact O-CB 3.44Å; R268-L272 VanDerWaalsContact O-CG 3.28Å; R268-L272 WeakPolarHBondContact O-CG 3.47Å; R268-L272 PolarHBondContact O-N 3.38Å; R269-L272 PolarHBondContact O-N 2.99Å; E270-L272 VanDerWaalsContact C-N 3.28Å; E270-L272 PolarHBondContact O-N 3.37Å; L272-S275 PolarHBondContact O-OG 2.98Å; L272-R276 WeakPolarHBondContact O-CB 3.33Å; L272-R276 VanDerWaalsContact O-CG 3.23Å; L272-R276 WeakPolarHBondContact O-CG 3.43Å; L272-R276 PolarHBondContact O-N 3.27Å |
| 273 | R | 84.7 | Confident | 80.9 | Confident | 154 Ų | 154 | 92.1 Ų | 92.1 | 58% | 0.581 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.9 | -49.6 | 170.3 | -72.4 | -177.3 | -171.2 | 129.4 | -6.8 | 111 | R269 E270 S275 R276 S277 | R269-R273 WeakPolarHBondContact O-CG 3.43Å; R269-R273 PolarHBondContact O-N 3Å; E270-R273 PolarHBondContact O-N 3.01Å; E270-R273 IonicContact OE2-CZ 2.66Å; E270-R273 IonicContact OE2-NH1 2.94Å; E270-R273 PolarHBondContact OE2-NH1 3.26Å; R273-S275 VanDerWaalsContact C-N 3.34Å; R273-S275 PolarHBondContact O-N 3.28Å; R273-R276 PolarHBondContact O-N 3.13Å; R273-S277 WeakPolarHBondContact O-CB 3.4Å; R273-S277 PolarHBondContact O-N 3.16Å |
| 274 | K | 83.3 | Confident | 81.4 | Confident | 111 Ų | 111 | 86.3 Ų | 86.3 | 48% | 0.483 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 177.4 | -70.5 | 177.7 | 179.8 | 179.9 | 0 | 112 | E270 S277 Y278 F316 | E270-K274 WeakPolarHBondContact O-CG 3.44Å; E270-K274 PolarHBondContact O-N 3.18Å; E270-K274 WeakPolarHBondContact OE1-CE 3.43Å; K274-S277 PolarHBondContact O-N 3.27Å; K274-Y278 VanDerWaalsContact O-CB 3.3Å; K274-Y278 WeakPolarHBondContact O-CB 3.48Å; K274-Y278 PolarHBondContact O-N 3.44Å; K274-F316 HydrophobicContact CB-CD1 4.3Å; K274-F316 HydrophobicContact CB-CE1 3.54Å; K274-F316 HydrophobicContact CB-CZ 3.98Å; K274-F316 HydrophobicContact CD-CE1 4.41Å |
| 275 | S | 77.4 | Confident | 82 | Confident | 11 Ų | 11 | 86.8 Ų | 86.8 | 8% | 0.077 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69.6 | -36.5 | 177.5 | 76.7 | 0 | 0 | 0 | 0 | 113.4 | R271 L272 R273 R279 | R271-S275 WeakPolarHBondContact O-CB 3.44Å; R271-S275 PolarHBondContact O-N 3.16Å; R271-S275 PolarHBondContact O-OG 3.45Å; L272-S275 PolarHBondContact O-OG 2.98Å; R273-S275 VanDerWaalsContact C-N 3.34Å; R273-S275 PolarHBondContact O-N 3.28Å; S275-R279 WeakPolarHBondContact O-CB 3.32Å; S275-R279 VanDerWaalsContact O-CG 3.28Å; S275-R279 WeakPolarHBondContact O-CG 3.41Å; S275-R279 PolarHBondContact O-N 3.07Å |
| 276 | R | 81.1 | Confident | 82.6 | Confident | 188 Ų | 188 | 86.6 Ų | 86.6 | 71% | 0.709 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66 | -46.4 | 172.5 | -75.1 | 174.9 | -178.7 | -163.6 | 1.1 | 111.9 | L272 R273 R279 S280 | L272-R276 WeakPolarHBondContact O-CB 3.33Å; L272-R276 VanDerWaalsContact O-CG 3.23Å; L272-R276 WeakPolarHBondContact O-CG 3.43Å; L272-R276 PolarHBondContact O-N 3.27Å; R273-R276 PolarHBondContact O-N 3.13Å; R276-R279 PolarHBondContact O-N 3.34Å; R276-S280 PolarHBondContact O-N 3.04Å |
| 277 | S | 83.2 | Confident | 82.8 | Confident | 79 Ų | 79 | 89.3 Ų | 89.3 | 55% | 0.552 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -58.5 | -49.2 | 175.7 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | R273 K274 R279 S280 M281 | R273-S277 WeakPolarHBondContact O-CB 3.4Å; R273-S277 PolarHBondContact O-N 3.16Å; K274-S277 PolarHBondContact O-N 3.27Å; S277-R279 PolarHBondContact O-N 2.84Å; S277-S280 WeakPolarHBondContact O-CB 3.36Å; S277-S280 PolarHBondContact O-N 3.01Å; S277-S280 VanDerWaalsContact O-N 3.15Å; S277-M281 PolarHBondContact O-N 2.93Å |
| 278 | Y | 82.2 | Confident | 83.2 | Confident | 34 Ų | 34 | 89.2 Ų | 89.2 | 13% | 0.133 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -57.4 | -45.9 | 175.7 | 176 | -86 | 0 | 0 | 0 | 112.5 | K274 S280 M281 L282 P311 P313 | K274-Y278 VanDerWaalsContact O-CB 3.3Å; K274-Y278 WeakPolarHBondContact O-CB 3.48Å; K274-Y278 PolarHBondContact O-N 3.44Å; Y278-S280 VanDerWaalsContact C-N 3.33Å; Y278-S280 PolarHBondContact O-N 3.33Å; Y278-M281 HydrophobicContact CD2-CE 3.64Å; Y278-M281 HydrophobicContact CE2-CE 3.72Å; Y278-M281 HydrophobicContact CG-CE 4.49Å; Y278-M281 PolarHBondContact O-N 3.07Å; Y278-L282 HydrophobicContact CE1-CB 4.19Å; Y278-L282 HydrophobicContact CE1-CD1 3.99Å; Y278-L282 WeakPolarHBondContact O-CB 3.48Å; Y278-L282 PolarHBondContact O-N 3.06Å; Y278-L282 WeakPolarHBondContact OH-CD1 3.46Å; Y278-P311 HydrophobicContact CE2-CB 4.4Å; Y278-P311 VanDerWaalsContact CE2-O 3.31Å; Y278-P311 WeakPolarHBondContact CE2-O 3.38Å; Y278-P311 VanDerWaalsContact CZ-O 3.24Å; Y278-P311 PolarHBondContact OH-O 3.16Å; Y278-P313 HydrophobicContact CD1-CB 4.24Å; Y278-P313 HydrophobicContact CE1-CB 3.73Å; Y278-P313 HydrophobicContact CE1-CG 4.45Å |
| 279 | R | 80.2 | Confident | 83.6 | Confident | 152 Ų | 152 | 85.3 Ų | 85.3 | 57% | 0.574 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.4 | -38.7 | 176.6 | -75.8 | 174.7 | -179.3 | -169 | 2 | 112.5 | S275 R276 S277 S283 | S275-R279 WeakPolarHBondContact O-CB 3.32Å; S275-R279 VanDerWaalsContact O-CG 3.28Å; S275-R279 WeakPolarHBondContact O-CG 3.41Å; S275-R279 PolarHBondContact O-N 3.07Å; R276-R279 PolarHBondContact O-N 3.34Å; S277-R279 PolarHBondContact O-N 2.84Å; R279-S283 VanDerWaalsContact O-CB 3.31Å; R279-S283 WeakPolarHBondContact O-CB 3.37Å; R279-S283 PolarHBondContact O-N 3.44Å |
| 280 | S | 81.6 | Confident | 83.7 | Confident | 79 Ų | 79 | 81.3 Ų | 81.3 | 55% | 0.552 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.5 | -48.7 | 175.7 | -167.9 | 0 | 0 | 0 | 0 | 111.2 | R276 S277 Y278 L282 S283 A284 | R276-S280 PolarHBondContact O-N 3.04Å; S277-S280 WeakPolarHBondContact O-CB 3.36Å; S277-S280 PolarHBondContact O-N 3.01Å; S277-S280 VanDerWaalsContact O-N 3.15Å; Y278-S280 VanDerWaalsContact C-N 3.33Å; Y278-S280 PolarHBondContact O-N 3.33Å; S280-L282 PolarHBondContact O-N 3.39Å; S280-S283 PolarHBondContact O-N 2.91Å; S280-A284 WeakPolarHBondContact O-CB 3.27Å; S280-A284 PolarHBondContact O-N 2.93Å |
| 281 | M | 87.7 | Confident | 84 | Confident | 62 Ų | 62 | 83 Ų | 83 | 31% | 0.305 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 177 | 177.4 | -85.8 | -64.9 | 0 | 0 | 112.3 | S277 Y278 A284 K285 | S277-M281 PolarHBondContact O-N 2.93Å; Y278-M281 HydrophobicContact CD2-CE 3.64Å; Y278-M281 HydrophobicContact CE2-CE 3.72Å; Y278-M281 HydrophobicContact CG-CE 4.49Å; Y278-M281 PolarHBondContact O-N 3.07Å; M281-A284 PolarHBondContact O-N 3.22Å; M281-K285 WeakPolarHBondContact O-CG 3.39Å; M281-K285 PolarHBondContact O-N 2.88Å; M281-K285 HydrophobicContact SD-CD 3.75Å; M281-K285 HydrophobicContact SD-CG 4.33Å |
| 282 | L | 85.5 | Confident | 84.5 | Confident | 50 Ų | 50 | 81.4 Ų | 81.4 | 26% | 0.262 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 176.1 | 178 | 134.2 | 0 | 0 | 0 | 111.6 | Y278 S280 K285 I286 L310 | Y278-L282 HydrophobicContact CE1-CB 4.19Å; Y278-L282 HydrophobicContact CE1-CD1 3.99Å; Y278-L282 WeakPolarHBondContact O-CB 3.48Å; Y278-L282 PolarHBondContact O-N 3.06Å; Y278-L282 WeakPolarHBondContact OH-CD1 3.46Å; S280-L282 PolarHBondContact O-N 3.39Å; L282-K285 PolarHBondContact O-N 3.28Å; L282-I286 HydrophobicContact CD2-CD1 3.52Å; L282-I286 HydrophobicContact CG-CD1 3.88Å; L282-I286 WeakPolarHBondContact O-CB 3.37Å; L282-I286 VanDerWaalsContact O-CG1 3.28Å; L282-I286 WeakPolarHBondContact O-CG1 3.41Å; L282-I286 PolarHBondContact O-N 2.94Å; L282-L310 HydrophobicContact CD1-CD1 4.04Å; L282-L310 HydrophobicContact CG-CD1 4.19Å |
| 283 | S | 84.5 | Confident | 84.8 | Confident | 56 Ų | 56 | 81.1 Ų | 81.1 | 39% | 0.392 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.4 | -37 | 175 | 176.8 | 0 | 0 | 0 | 0 | 113 | R279 S280 R287 | R279-S283 VanDerWaalsContact O-CB 3.31Å; R279-S283 WeakPolarHBondContact O-CB 3.37Å; R279-S283 PolarHBondContact O-N 3.44Å; S280-S283 PolarHBondContact O-N 2.91Å; S283-R287 WeakPolarHBondContact O-CG 3.34Å; S283-R287 PolarHBondContact O-N 2.97Å; S283-R287 VanDerWaalsContact O-N 3.13Å; S283-R287 PolarHBondContact O-NE 3.28Å |
| 284 | A | 87.2 | Confident | 84.8 | Confident | 43 Ų | 43 | 78 Ų | 78 | 36% | 0.355 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.8 | -47.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S280 M281 I286 R287 Q288 | S280-A284 WeakPolarHBondContact O-CB 3.27Å; S280-A284 PolarHBondContact O-N 2.93Å; M281-A284 PolarHBondContact O-N 3.22Å; A284-I286 PolarHBondContact O-N 3.47Å; A284-R287 PolarHBondContact O-N 3.47Å; A284-Q288 PolarHBondContact O-N 3.02Å |
| 285 | K | 88.4 | Confident | 85.2 | Confident | 89 Ų | 89 | 78.8 Ų | 78.8 | 39% | 0.387 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 177.6 | -71.9 | -170.7 | 178.7 | -171.7 | 0 | 112.8 | M281 L282 R287 Q288 Q289 L310 | M281-K285 WeakPolarHBondContact O-CG 3.39Å; M281-K285 PolarHBondContact O-N 2.88Å; M281-K285 HydrophobicContact SD-CD 3.75Å; M281-K285 HydrophobicContact SD-CG 4.33Å; L282-K285 PolarHBondContact O-N 3.28Å; K285-R287 VanDerWaalsContact C-N 3.33Å; K285-R287 PolarHBondContact O-N 2.95Å; K285-Q288 PolarHBondContact O-N 3.29Å; K285-Q289 VanDerWaalsContact O-CG 3.31Å; K285-Q289 WeakPolarHBondContact O-CG 3.31Å; K285-Q289 PolarHBondContact O-N 2.94Å; K285-L310 HydrophobicContact CB-CD1 4.32Å; K285-L310 HydrophobicContact CD-CD2 3.5Å |
| 286 | I | 85.3 | Confident | 85.5 | Confident | 65 Ų | 65 | 81.3 Ų | 81.3 | 33% | 0.333 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 175.8 | -70.1 | 168.5 | 0 | 0 | 0 | 111.1 | L282 A284 Q289 A290 I307 | L282-I286 HydrophobicContact CD2-CD1 3.52Å; L282-I286 HydrophobicContact CG-CD1 3.88Å; L282-I286 WeakPolarHBondContact O-CB 3.37Å; L282-I286 VanDerWaalsContact O-CG1 3.28Å; L282-I286 WeakPolarHBondContact O-CG1 3.41Å; L282-I286 PolarHBondContact O-N 2.94Å; A284-I286 PolarHBondContact O-N 3.47Å; I286-Q289 PolarHBondContact O-N 2.85Å; I286-A290 WeakPolarHBondContact O-CB 3.46Å; I286-A290 PolarHBondContact O-N 3.24Å; I286-I307 HydrophobicContact CD1-CG2 4.4Å; I286-I307 HydrophobicContact CG1-CD1 4.09Å; I286-I307 HydrophobicContact CG1-CG1 4.06Å; I286-I307 HydrophobicContact CG1-CG2 4.17Å; I286-I307 HydrophobicContact CG2-CD1 4.36Å |
| 287 | R | 87.6 | Confident | 85.8 | Confident | 141 Ų | 141 | 77.9 Ų | 77.9 | 53% | 0.532 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.7 | -48.3 | 174.2 | -78.2 | -176.3 | -71.1 | 150.9 | -3.4 | 111.9 | S283 A284 K285 Q289 A290 E291 | S283-R287 WeakPolarHBondContact O-CG 3.34Å; S283-R287 PolarHBondContact O-N 2.97Å; S283-R287 VanDerWaalsContact O-N 3.13Å; S283-R287 PolarHBondContact O-NE 3.28Å; A284-R287 PolarHBondContact O-N 3.47Å; K285-R287 VanDerWaalsContact C-N 3.33Å; K285-R287 PolarHBondContact O-N 2.95Å; R287-Q289 VanDerWaalsContact C-N 3.31Å; R287-Q289 PolarHBondContact O-N 3.02Å; R287-A290 CarbonylContact O-C 3.54Å; R287-A290 WeakPolarHBondContact O-CB 3.3Å; R287-A290 PolarHBondContact O-N 3.32Å; R287-E291 WeakPolarHBondContact O-CG 3.32Å; R287-E291 PolarHBondContact O-N 3.28Å |
| 288 | Q | 88.5 | Confident | 86 | Confident | 93 Ų | 93 | 75.4 Ų | 75.4 | 44% | 0.435 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -56.7 | -43.2 | 176.2 | -174.1 | -176.5 | 8.4 | 0 | 0 | 112.2 | A284 K285 E291 H292 | A284-Q288 PolarHBondContact O-N 3.02Å; K285-Q288 PolarHBondContact O-N 3.29Å; Q288-E291 PolarHBondContact O-N 3.45Å; Q288-H292 WeakPolarHBondContact CG-NE2 3.41Å; Q288-H292 PolarHBondContact NE2-NE2 2.84Å; Q288-H292 WeakPolarHBondContact O-CB 3.49Å; Q288-H292 PolarHBondContact O-CD2 3.44Å; Q288-H292 VanDerWaalsContact O-CG 3.31Å; Q288-H292 PolarHBondContact O-N 3.01Å |
| 289 | Q | 85.5 | Confident | 86.1 | Confident | 30 Ų | 30 | 76.9 Ų | 76.9 | 14% | 0.14 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 176.4 | -64.8 | -62.4 | -58.3 | 0 | 0 | 111.9 | K285 I286 R287 H292 V293 A303 T306 I307 | K285-Q289 VanDerWaalsContact O-CG 3.31Å; K285-Q289 WeakPolarHBondContact O-CG 3.31Å; K285-Q289 PolarHBondContact O-N 2.94Å; I286-Q289 PolarHBondContact O-N 2.85Å; R287-Q289 VanDerWaalsContact C-N 3.31Å; R287-Q289 PolarHBondContact O-N 3.02Å; Q289-H292 PolarHBondContact O-N 2.8Å; Q289-V293 WeakPolarHBondContact O-CG2 3.4Å; Q289-V293 PolarHBondContact O-N 2.72Å; Q289-A303 HydrophobicContact CB-CB 4.25Å; Q289-T306 PolarHBondContact OE1-OG1 3.06Å; Q289-I307 HydrophobicContact CB-CD1 4.25Å; Q289-I307 HydrophobicContact CB-CG1 4.39Å; Q289-I307 HydrophobicContact CG-CG1 4.26Å |
| 290 | A | 83.5 | Confident | 86.3 | Confident | 58 Ų | 58 | 74.9 Ų | 74.9 | 48% | 0.479 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66 | -37.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I286 R287 V293 A294 | I286-A290 WeakPolarHBondContact O-CB 3.46Å; I286-A290 PolarHBondContact O-N 3.24Å; R287-A290 CarbonylContact O-C 3.54Å; R287-A290 WeakPolarHBondContact O-CB 3.3Å; R287-A290 PolarHBondContact O-N 3.32Å; A290-V293 PolarHBondContact O-N 3.35Å; A290-A294 WeakPolarHBondContact O-CB 3.43Å; A290-A294 PolarHBondContact O-N 3.26Å |
| 291 | E | 88.7 | Confident | 86.5 | Confident | 105 Ų | 105 | 78.8 Ų | 78.8 | 49% | 0.491 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 173.2 | -72.4 | 157.9 | -159.9 | 0 | 0 | 111 | R287 Q288 V293 A294 L295 | R287-E291 WeakPolarHBondContact O-CG 3.32Å; R287-E291 PolarHBondContact O-N 3.28Å; Q288-E291 PolarHBondContact O-N 3.45Å; E291-V293 VanDerWaalsContact C-N 3.33Å; E291-V293 PolarHBondContact O-N 2.9Å; E291-A294 PolarHBondContact O-N 3.3Å; E291-L295 WeakPolarHBondContact O-CB 3.42Å; E291-L295 WeakPolarHBondContact O-CG 3.49Å; E291-L295 PolarHBondContact O-N 3.27Å |
| 292 | H | 88.7 | Confident | 86.3 | Confident | 53 Ų | 53 | 80.5 Ų | 80.5 | 25% | 0.245 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.5 | -37 | 175.6 | -72 | -156 | 0 | 0 | 0 | 112.4 | Q288 Q289 G296 L297 I298 | Q288-H292 WeakPolarHBondContact CG-NE2 3.41Å; Q288-H292 PolarHBondContact NE2-NE2 2.84Å; Q288-H292 WeakPolarHBondContact O-CB 3.49Å; Q288-H292 PolarHBondContact O-CD2 3.44Å; Q288-H292 VanDerWaalsContact O-CG 3.31Å; Q288-H292 PolarHBondContact O-N 3.01Å; Q289-H292 PolarHBondContact O-N 2.8Å; H292-G296 PolarHBondContact O-N 2.94Å; H292-L297 HydrophobicContact CB-CB 4.4Å; H292-L297 PolarHBondContact O-N 3.45Å; H292-I298 HydrophobicContact CB-CD1 3.55Å; H292-I298 HydrophobicContact CB-CG1 3.72Å; H292-I298 HydrophobicContact CB-CG2 4.46Å |
| 293 | V | 86.3 | Confident | 86 | Confident | 51 Ų | 51 | 78.4 Ų | 78.4 | 31% | 0.309 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.6 | -42.9 | 172.5 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | Q289 A290 E291 L295 G296 I298 A303 | Q289-V293 WeakPolarHBondContact O-CG2 3.4Å; Q289-V293 PolarHBondContact O-N 2.72Å; A290-V293 PolarHBondContact O-N 3.35Å; E291-V293 VanDerWaalsContact C-N 3.33Å; E291-V293 PolarHBondContact O-N 2.9Å; V293-L295 VanDerWaalsContact C-N 3.3Å; V293-L295 PolarHBondContact O-N 2.93Å; V293-G296 PolarHBondContact O-N 3.17Å; V293-I298 HydrophobicContact CG2-CD1 4.14Å; V293-I298 HydrophobicContact CG2-CG1 3.75Å; V293-A303 HydrophobicContact CG2-CB 3.43Å; V293-A303 VanDerWaalsContact CG2-CB 3.43Å |
| 294 | A | 84.6 | Confident | 85.8 | Confident | 88 Ų | 88 | 82.9 Ų | 82.9 | 73% | 0.727 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.2 | -32.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A290 E291 G296 | A290-A294 WeakPolarHBondContact O-CB 3.43Å; A290-A294 PolarHBondContact O-N 3.26Å; E291-A294 PolarHBondContact O-N 3.3Å; A294-G296 VanDerWaalsContact C-N 3.28Å |
| 295 | L | 90.8 | Very high | 85.6 | Confident | 127 Ų | 127 | 85.4 Ų | 85.4 | 67% | 0.665 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -2.9 | 172.6 | -66.7 | 173.2 | 0 | 0 | 0 | 113.5 | E291 V293 L297 | E291-L295 WeakPolarHBondContact O-CB 3.42Å; E291-L295 WeakPolarHBondContact O-CG 3.49Å; E291-L295 PolarHBondContact O-N 3.27Å; V293-L295 VanDerWaalsContact C-N 3.3Å; V293-L295 PolarHBondContact O-N 2.93Å; L295-L297 HydrophobicContact CB-CD1 4.03Å; L295-L297 HydrophobicContact CB-CG 3.86Å; L295-L297 HydrophobicContact CD1-CD1 4.03Å; L295-L297 PolarHBondContact O-N 3.03Å |
| 296 | G | 85.3 | Confident | 85.2 | Confident | 64 Ų | 64 | 83.4 Ų | 83.4 | 66% | 0.66 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | 14.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | H292 V293 A294 | H292-G296 PolarHBondContact O-N 2.94Å; V293-G296 PolarHBondContact O-N 3.17Å; A294-G296 VanDerWaalsContact C-N 3.28Å |
| 297 | L | 87.6 | Confident | 84.9 | Confident | 116 Ų | 116 | 83 Ų | 83 | 61% | 0.607 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -75.4 | -27.2 | -177.8 | -62.9 | 175.1 | 0 | 0 | 0 | 113 | H292 L295 | H292-L297 HydrophobicContact CB-CB 4.4Å; H292-L297 PolarHBondContact O-N 3.45Å; L295-L297 HydrophobicContact CB-CD1 4.03Å; L295-L297 HydrophobicContact CB-CG 3.86Å; L295-L297 HydrophobicContact CD1-CD1 4.03Å; L295-L297 PolarHBondContact O-N 3.03Å |
| 298 | I | 86.3 | Confident | 84.3 | Confident | 28 Ų | 28 | 81.5 Ų | 81.5 | 14% | 0.144 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -137.2 | 154.5 | 178.2 | 66.1 | -177.8 | 0 | 0 | 0 | 110.4 | H292 V293 E302 A303 | H292-I298 HydrophobicContact CB-CD1 3.55Å; H292-I298 HydrophobicContact CB-CG1 3.72Å; H292-I298 HydrophobicContact CB-CG2 4.46Å; V293-I298 HydrophobicContact CG2-CD1 4.14Å; V293-I298 HydrophobicContact CG2-CG1 3.75Å; I298-E302 HydrophobicContact CB-CG 4.37Å; I298-A303 HydrophobicContact CD1-CB 3.74Å; I298-A303 HydrophobicContact CG1-CB 4.34Å |
| 299 | S | 84.8 | Confident | 83.9 | Confident | 65 Ų | 65 | 81.6 Ų | 81.6 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | trans | -73.6 | 152.7 | 172.6 | 70.5 | 0 | 0 | 0 | 0 | 111.7 | K301 E302 A303 | S299-K301 PolarHBondContact O-N 2.99Å; S299-E302 PolarHBondContact N-OE2 3.09Å; S299-E302 WeakPolarHBondContact O-CB 3.39Å; S299-E302 PolarHBondContact O-N 3.04Å; S299-E302 VanDerWaalsContact O-N 3.09Å; S299-E302 VanDerWaalsContact OG-CB 3.24Å; S299-E302 WeakPolarHBondContact OG-CB 3.46Å; S299-E302 PolarHBondContact OG-N 3.07Å; S299-E302 VanDerWaalsContact OG-N 3.15Å; S299-A303 PolarHBondContact O-N 3.25Å | ||
| 300 | E | 84.1 | Confident | 83.5 | Confident | 110 Ų | 110 | 81.3 Ų | 81.3 | 51% | 0.514 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.9 | -33.7 | 175.3 | -160.2 | -157.5 | 150.4 | 0 | 0 | 112 | E302 A303 R304 | E300-E302 VanDerWaalsContact C-N 3.35Å; E300-A303 PolarHBondContact O-N 3.42Å; E300-R304 WeakPolarHBondContact O-CB 3.38Å; E300-R304 VanDerWaalsContact O-CG 3.27Å; E300-R304 WeakPolarHBondContact O-CG 3.34Å; E300-R304 PolarHBondContact O-N 2.95Å; E300-R304 IonicContact OE1-CZ 3.12Å; E300-R304 IonicContact OE1-NE 2.8Å; E300-R304 PolarHBondContact OE1-NE 3.48Å; E300-R304 IonicContact OE1-NH2 2.66Å; E300-R304 PolarHBondContact OE1-NH2 3.2Å |
| 301 | K | 85.4 | Confident | 83 | Confident | 160 Ų | 160 | 82.2 Ų | 82.2 | 70% | 0.696 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.1 | -40 | 176 | -173 | 174.7 | -178.3 | 175.8 | 0 | 111.9 | S299 N305 | S299-K301 PolarHBondContact O-N 2.99Å; K301-N305 VanDerWaalsContact O-CG 3.25Å; K301-N305 PolarHBondContact O-N 2.86Å; K301-N305 PolarHBondContact O-ND2 2.71Å |
| 302 | E | 83.7 | Confident | 82 | Confident | 98 Ų | 98 | 85.2 Ų | 85.2 | 46% | 0.458 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.4 | -47.1 | 174.9 | -177 | 173.9 | -165.6 | 0 | 0 | 111.3 | I298 S299 E300 R304 N305 T306 | I298-E302 HydrophobicContact CB-CG 4.37Å; S299-E302 PolarHBondContact N-OE2 3.09Å; S299-E302 WeakPolarHBondContact O-CB 3.39Å; S299-E302 PolarHBondContact O-N 3.04Å; S299-E302 VanDerWaalsContact O-N 3.09Å; S299-E302 VanDerWaalsContact OG-CB 3.24Å; S299-E302 WeakPolarHBondContact OG-CB 3.46Å; S299-E302 PolarHBondContact OG-N 3.07Å; S299-E302 VanDerWaalsContact OG-N 3.15Å; E300-E302 VanDerWaalsContact C-N 3.35Å; E302-R304 VanDerWaalsContact C-N 3.29Å; E302-R304 PolarHBondContact O-N 3.24Å; E302-N305 WeakPolarHBondContact O-CB 3.44Å; E302-N305 PolarHBondContact O-N 2.86Å; E302-T306 WeakPolarHBondContact O-CG2 3.34Å; E302-T306 PolarHBondContact O-N 3.38Å; E302-T306 PolarHBondContact O-OG1 2.85Å |
| 303 | A | 79.8 | Confident | 80.7 | Confident | 6 Ų | 6 | 84 Ų | 84 | 5% | 0.05 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -57.6 | -39.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q289 V293 I298 S299 E300 T306 I307 | Q289-A303 HydrophobicContact CB-CB 4.25Å; V293-A303 HydrophobicContact CG2-CB 3.43Å; V293-A303 VanDerWaalsContact CG2-CB 3.43Å; I298-A303 HydrophobicContact CD1-CB 3.74Å; I298-A303 HydrophobicContact CG1-CB 4.34Å; S299-A303 PolarHBondContact O-N 3.25Å; E300-A303 PolarHBondContact O-N 3.42Å; A303-T306 WeakPolarHBondContact CA-OG1 3.47Å; A303-T306 PolarHBondContact O-OG1 2.86Å; A303-I307 WeakPolarHBondContact O-CB 3.41Å; A303-I307 WeakPolarHBondContact O-CD1 3.41Å; A303-I307 WeakPolarHBondContact O-CG1 3.43Å; A303-I307 PolarHBondContact O-N 2.67Å; A303-I307 VanDerWaalsContact O-N 3.08Å |
| 304 | R | 80 | Confident | 79.4 | Confident | 150 Ų | 150 | 86.1 Ų | 86.1 | 57% | 0.566 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.6 | -43.1 | 173.2 | -73.6 | 171.3 | 178.8 | -142.3 | 7.8 | 111.5 | E300 E302 I307 L308 | E300-R304 WeakPolarHBondContact O-CB 3.38Å; E300-R304 VanDerWaalsContact O-CG 3.27Å; E300-R304 WeakPolarHBondContact O-CG 3.34Å; E300-R304 PolarHBondContact O-N 2.95Å; E300-R304 IonicContact OE1-CZ 3.12Å; E300-R304 IonicContact OE1-NE 2.8Å; E300-R304 PolarHBondContact OE1-NE 3.48Å; E300-R304 IonicContact OE1-NH2 2.66Å; E300-R304 PolarHBondContact OE1-NH2 3.2Å; E302-R304 VanDerWaalsContact C-N 3.29Å; E302-R304 PolarHBondContact O-N 3.24Å; R304-I307 PolarHBondContact O-N 3.3Å; R304-L308 WeakPolarHBondContact O-CB 3.35Å; R304-L308 VanDerWaalsContact O-CG 3.26Å; R304-L308 WeakPolarHBondContact O-CG 3.32Å; R304-L308 PolarHBondContact O-N 2.97Å |
| 305 | N | 82.5 | Confident | 77.9 | Confident | 97 Ų | 97 | 87.1 Ų | 87.1 | 52% | 0.519 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 178.8 | -73 | -15.1 | 0 | 0 | 0 | 112.7 | K301 E302 L308 S309 | K301-N305 VanDerWaalsContact O-CG 3.25Å; K301-N305 PolarHBondContact O-N 2.86Å; K301-N305 PolarHBondContact O-ND2 2.71Å; E302-N305 WeakPolarHBondContact O-CB 3.44Å; E302-N305 PolarHBondContact O-N 2.86Å; N305-L308 PolarHBondContact O-N 3.02Å; N305-S309 PolarHBondContact O-N 3.17Å |
| 306 | T | 80.3 | Confident | 76 | Confident | 46 Ų | 46 | 83.7 Ų | 83.7 | 28% | 0.282 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68 | -35.1 | 175.8 | 58.3 | 0 | 0 | 0 | 0 | 112.2 | Q289 E302 A303 S309 | Q289-T306 PolarHBondContact OE1-OG1 3.06Å; E302-T306 WeakPolarHBondContact O-CG2 3.34Å; E302-T306 PolarHBondContact O-N 3.38Å; E302-T306 PolarHBondContact O-OG1 2.85Å; A303-T306 WeakPolarHBondContact CA-OG1 3.47Å; A303-T306 PolarHBondContact O-OG1 2.86Å; T306-S309 PolarHBondContact O-N 3.28Å; T306-S309 PolarHBondContact O-OG 3.36Å |
| 307 | I | 78.6 | Confident | 74.4 | Confident | 57 Ų | 57 | 82.6 Ų | 82.6 | 29% | 0.292 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.7 | -38.8 | 172.7 | -68.8 | 167.2 | 0 | 0 | 0 | 111 | I286 Q289 A303 R304 S309 L310 | I286-I307 HydrophobicContact CD1-CG2 4.4Å; I286-I307 HydrophobicContact CG1-CD1 4.09Å; I286-I307 HydrophobicContact CG1-CG1 4.06Å; I286-I307 HydrophobicContact CG1-CG2 4.17Å; I286-I307 HydrophobicContact CG2-CD1 4.36Å; Q289-I307 HydrophobicContact CB-CD1 4.25Å; Q289-I307 HydrophobicContact CB-CG1 4.39Å; Q289-I307 HydrophobicContact CG-CG1 4.26Å; A303-I307 WeakPolarHBondContact O-CB 3.41Å; A303-I307 WeakPolarHBondContact O-CD1 3.41Å; A303-I307 WeakPolarHBondContact O-CG1 3.43Å; A303-I307 PolarHBondContact O-N 2.67Å; A303-I307 VanDerWaalsContact O-N 3.08Å; R304-I307 PolarHBondContact O-N 3.3Å; I307-S309 VanDerWaalsContact C-N 3.32Å; I307-S309 PolarHBondContact O-N 3.24Å; I307-L310 WeakPolarHBondContact O-CB 3.39Å; I307-L310 VanDerWaalsContact O-CG 3.31Å; I307-L310 WeakPolarHBondContact O-CG 3.31Å; I307-L310 PolarHBondContact O-N 2.93Å |
| 308 | L | 75.2 | Confident | 72.5 | Confident | 109 Ų | 109 | 82.3 Ų | 82.3 | 57% | 0.571 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -71 | -23 | 177 | -72.2 | 171.1 | 0 | 0 | 0 | 113.8 | R304 N305 L310 | R304-L308 WeakPolarHBondContact O-CB 3.35Å; R304-L308 VanDerWaalsContact O-CG 3.26Å; R304-L308 WeakPolarHBondContact O-CG 3.32Å; R304-L308 PolarHBondContact O-N 2.97Å; N305-L308 PolarHBondContact O-N 3.02Å; L308-L310 VanDerWaalsContact C-N 3.3Å |
| 309 | S | 80.1 | Confident | 70.5 | Confident | 95 Ų | 95 | 84.6 Ų | 84.6 | 66% | 0.664 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -3.3 | 174.9 | 73.1 | 0 | 0 | 0 | 0 | 114 | N305 T306 I307 | N305-S309 PolarHBondContact O-N 3.17Å; T306-S309 PolarHBondContact O-N 3.28Å; T306-S309 PolarHBondContact O-OG 3.36Å; I307-S309 VanDerWaalsContact C-N 3.32Å; I307-S309 PolarHBondContact O-N 3.24Å |
| 310 | L | 77.9 | Confident | 68.7 | Low | 24 Ų | 24 | 82.7 Ų | 82.7 | 13% | 0.126 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -65 | 148.3 | 177 | -62.4 | -179.4 | 0 | 0 | 0 | 111.9 | L282 K285 I307 L308 R312 | L282-L310 HydrophobicContact CD1-CD1 4.04Å; L282-L310 HydrophobicContact CG-CD1 4.19Å; K285-L310 HydrophobicContact CB-CD1 4.32Å; K285-L310 HydrophobicContact CD-CD2 3.5Å; I307-L310 WeakPolarHBondContact O-CB 3.39Å; I307-L310 VanDerWaalsContact O-CG 3.31Å; I307-L310 WeakPolarHBondContact O-CG 3.31Å; I307-L310 PolarHBondContact O-N 2.93Å; L308-L310 VanDerWaalsContact C-N 3.3Å; L310-R312 PolarHBondContact O-N 3.26Å |
| 311 | P | 72.6 | Confident | 66.7 | Low | 78 Ų | 78 | 81 Ų | 81 | 51% | 0.506 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 128.9 | -175.8 | -18.7 | 29.4 | 0 | 0 | 0 | 110.8 | Y278 | Y278-P311 HydrophobicContact CE2-CB 4.4Å; Y278-P311 VanDerWaalsContact CE2-O 3.31Å; Y278-P311 WeakPolarHBondContact CE2-O 3.38Å; Y278-P311 VanDerWaalsContact CZ-O 3.24Å; Y278-P311 PolarHBondContact OH-O 3.16Å |
| 312 | R | 66.9 | Low | 64.5 | Low | 168 Ų | 168 | 77.4 Ų | 77.4 | 63% | 0.634 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 138.7 | -174.2 | -65.9 | -174 | -177.4 | 172.5 | 3 | 112.4 | L310 D314 | L310-R312 PolarHBondContact O-N 3.26Å; R312-D314 WeakPolarHBondContact CB-OD2 3.49Å; R312-D314 PolarHBondContact O-N 2.93Å; R312-D314 VanDerWaalsContact O-N 3.16Å |
| 313 | P | 62.9 | Low | 62.4 | Low | 28 Ų | 28 | 82.3 Ų | 82.3 | 18% | 0.182 | 42% | 0.422 | C | S | . | . | trans | -80.9 | 14.7 | -174.2 | 34 | -38.2 | 0 | 0 | 0 | 115 | Y278 V315 F316 L317 | Y278-P313 HydrophobicContact CD1-CB 4.24Å; Y278-P313 HydrophobicContact CE1-CB 3.73Å; Y278-P313 HydrophobicContact CE1-CG 4.45Å; P313-V315 PolarHBondContact O-N 3.1Å; P313-F316 PolarHBondContact O-N 3.25Å; P313-L317 HydrophobicContact CB-CD1 3.76Å; P313-L317 HydrophobicContact CB-CG 4.18Å; P313-L317 HydrophobicContact CG-CD1 3.63Å | ||
| 314 | D | 57.2 | Low | 60.5 | Low | 94 Ų | 94 | 88 Ų | 88 | 50% | 0.503 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.8 | -24.7 | -163.8 | -60.6 | -32.2 | 0 | 0 | 0 | 114.3 | R312 N318 | R312-D314 WeakPolarHBondContact CB-OD2 3.49Å; R312-D314 PolarHBondContact O-N 2.93Å; R312-D314 VanDerWaalsContact O-N 3.16Å; D314-N318 PolarHBondContact O-ND2 3.03Å; D314-N318 VanDerWaalsContact O-ND2 3.1Å |
| 315 | V | 54.2 | Low | 58.8 | Low | 109 Ų | 109 | 86.2 Ų | 86.2 | 66% | 0.661 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -76 | -24.4 | 177.3 | -174.3 | 0 | 0 | 0 | 0 | 113.1 | P313 | P313-V315 PolarHBondContact O-N 3.1Å |
| 316 | F | 50.5 | Low | 56.6 | Low | 55 Ų | 55 | 91.4 Ų | 91.4 | 24% | 0.241 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -107.1 | -23.1 | -166.5 | -65.8 | -69.8 | 0 | 0 | 0 | 115.5 | R271 K274 P313 | R271-F316 HydrophobicContact CG-CD1 4.06Å; R271-F316 HydrophobicContact CG-CE1 4.48Å; K274-F316 HydrophobicContact CB-CD1 4.3Å; K274-F316 HydrophobicContact CB-CE1 3.54Å; K274-F316 HydrophobicContact CB-CZ 3.98Å; K274-F316 HydrophobicContact CD-CE1 4.41Å; P313-F316 PolarHBondContact O-N 3.25Å |
| 317 | L | 52 | Low | 54.6 | Low | 41 Ų | 41 | 99.1 Ų | 99.1 | 22% | 0.215 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -95.7 | -29.6 | -170.7 | -66.5 | 174.5 | 0 | 0 | 0 | 114.4 | P313 V319 | P313-L317 HydrophobicContact CB-CD1 3.76Å; P313-L317 HydrophobicContact CB-CG 4.18Å; P313-L317 HydrophobicContact CG-CD1 3.63Å; L317-V319 PolarHBondContact O-N 3.14Å |
| 318 | N | 47.1 | Very low | 52.6 | Low | 111 Ų | 111 | 101.9 Ų | 101.9 | 59% | 0.594 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -14.3 | -164 | -71.1 | -38.4 | 0 | 0 | 0 | 116 | D314 | D314-N318 PolarHBondContact O-ND2 3.03Å; D314-N318 VanDerWaalsContact O-ND2 3.1Å |
| 319 | V | 44.8 | Very low | 50.9 | Low | 76 Ų | 76 | 102 Ų | 102 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -34.4 | -169.5 | -175.2 | 0 | 0 | 0 | 0 | 114.1 | L317 | L317-V319 PolarHBondContact O-N 3.14Š|
| 320 | D | 46.8 | Very low | 48.7 | Very low | 24 Ų | 24 | 108.1 Ų | 108.1 | 13% | 0.128 | 53% | 0.53 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -34.9 | -175.7 | -77.5 | -62.8 | 0 | 0 | 0 | 113.1 | R268 V322 R323 E324 | R268-D320 IonicContact CZ-OD1 3.91Å; R268-D320 IonicContact NE-OD1 2.67Å; R268-D320 PolarHBondContact NE-OD1 3.2Å; R268-D320 IonicContact NH2-OD1 2.94Å; R268-D320 PolarHBondContact NH2-OD1 3.26Å; D320-V322 VanDerWaalsContact C-N 3.31Å; D320-V322 PolarHBondContact O-N 2.95Å; D320-R323 PolarHBondContact O-N 2.98Å; D320-E324 PolarHBondContact O-N 3.23Å |
| 321 | L | 41.1 | Very low | 46.4 | Very low | 75 Ų | 75 | 115.4 Ų | 115.4 | 39% | 0.393 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.8 | -29.5 | -176.2 | -75.5 | 165.3 | 0 | 0 | 0 | 114.4 | T325 V340 | L321-T325 PolarHBondContact O-OG1 3.5Å; L321-V340 HydrophobicContact CD2-CG1 4.4Å |
| 322 | V | 40.3 | Very low | 44.5 | Very low | 85 Ų | 85 | 120.5 Ų | 120.5 | 52% | 0.515 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -78.7 | -20.5 | -177.6 | -175.3 | 0 | 0 | 0 | 0 | 112.5 | D320 | D320-V322 VanDerWaalsContact C-N 3.31Å; D320-V322 PolarHBondContact O-N 2.95Å |
| 323 | R | 39 | Very low | 42.6 | Very low | 200 Ų | 200 | 120.6 Ų | 120.6 | 76% | 0.755 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -97.8 | -27.4 | -178.2 | -88.9 | -178.6 | 165.7 | 167 | -3 | 114.4 | D320 | D320-R323 PolarHBondContact O-N 2.98Å |
| 324 | E | 41.3 | Very low | 41.1 | Very low | 126 Ų | 126 | 128 Ų | 128 | 59% | 0.589 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -75.4 | -33.8 | 177.4 | -71.1 | -175.8 | 161.3 | 0 | 0 | 112.6 | D320 R326 | D320-E324 PolarHBondContact O-N 3.23Å; E324-R326 PolarHBondContact O-N 3.38Å |
| 325 | T | 42.8 | Very low | 39.8 | Very low | 113 Ų | 113 | 133 Ų | 133 | 69% | 0.693 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -6.3 | -178.2 | 46.7 | 0 | 0 | 0 | 0 | 115.2 | L321 | L321-T325 PolarHBondContact O-OG1 3.5Š|
| 326 | R | 36.8 | Very low | 38.8 | Very low | 205 Ų | 205 | 132.3 Ų | 132.3 | 77% | 0.774 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 3.8 | -175.9 | -68.6 | -170.2 | 177.4 | -163.2 | 0.4 | 115.4 | E324 | E324-R326 PolarHBondContact O-N 3.38Š|
| 327 | R | 38.3 | Very low | 37.9 | Very low | 208 Ų | 208 | 137.6 Ų | 137.6 | 79% | 0.785 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -86.9 | 123.8 | 174.3 | -78.8 | -176.9 | 171.5 | 148.3 | -5.2 | 110.8 | S329 | R327-S329 PolarHBondContact O-N 3.31Š|
| 328 | P | 35.9 | Very low | 37 | Very low | 115 Ų | 115 | 140 Ų | 140 | 75% | 0.747 | 70% | 0.695 | S | S | * | * | trans | -70.4 | 104.6 | 172.6 | 28.4 | -32.5 | 0 | 0 | 0 | 109.8 | R330 | P328-R330 VanDerWaalsContact C-N 3.35Å; P328-R330 PolarHBondContact O-N 3.5Å | ||
| 329 | S | 40.4 | Very low | 36.5 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | trans | -71.2 | 82.9 | 179.4 | 55.6 | 0 | 0 | 0 | 0 | 111.5 | R327 F331 | R327-S329 PolarHBondContact O-N 3.31Å; S329-F331 VanDerWaalsContact C-N 3.25Å; S329-F331 PolarHBondContact O-N 3.15Å | ||
| 330 | R | 33.2 | Very low | 36.1 | Very low | 225 Ų | 225 | 137.9 Ų | 137.9 | 85% | 0.849 | 68% | 0.682 | S | S | * | * | trans | -76.7 | -2.5 | 175.8 | -87.2 | -171.1 | 173.3 | -178.8 | -1.3 | 114.8 | P328 | P328-R330 VanDerWaalsContact C-N 3.35Å; P328-R330 PolarHBondContact O-N 3.5Å | ||
| 331 | F | 30.7 | Very low | 35.6 | Very low | 177 Ų | 177 | 143.2 Ų | 143.2 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -138.5 | 150.5 | -179 | -67.4 | -83.8 | 0 | 0 | 0 | 111.9 | S329 | S329-F331 VanDerWaalsContact C-N 3.25Å; S329-F331 PolarHBondContact O-N 3.15Å |
| 332 | H | 31.7 | Very low | 35.5 | Very low | 185 Ų | 185 | 144.2 Ų | 144.2 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | trans | 69.8 | 75.9 | 179.4 | -63.5 | -74.2 | 0 | 0 | 0 | 117.9 | K334 | H332-K334 PolarHBondContact O-N 3.23Š| ||
| 333 | L | 28.5 | Very low | 35.3 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 89% | 0.885 | 70% | 0.702 | S | S | * | * | trans | -85 | 82.8 | 162 | -157.3 | 162.4 | 0 | 0 | 0 | 109.5 | ||||
| 334 | K | 30.3 | Very low | 35.2 | Very low | 185 Ų | 185 | 136 Ų | 136 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -178 | 130.8 | 161.7 | -100.8 | 155.8 | -171.4 | -177.8 | 0 | 110 | H332 | H332-K334 PolarHBondContact O-N 3.23Š|
| 335 | Q | 30.3 | Very low | 34.9 | Very low | 197 Ų | 197 | 134 Ų | 134 | 92% | 0.921 | 68% | 0.675 | S | S | * | * | trans | 57.7 | 86.6 | 164.4 | -62.7 | 174.2 | -20.1 | 0 | 0 | 118.3 | ||||
| 336 | A | 32.3 | Very low | 34.7 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 79% | 0.785 | 66% | 0.663 | S | S | * | * | trans | -158.2 | 99 | 150.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S338 | A336-S338 PolarHBondContact O-N 3.18Å; A336-S338 VanDerWaalsContact O-N 3.13Å | ||
| 337 | L | 31.9 | Very low | 34.9 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 87% | 0.869 | 67% | 0.667 | S | S | * | * | trans | -79.2 | 86.6 | 165.9 | -87.2 | 167 | 0 | 0 | 0 | 109 | L339 | L337-L339 PolarHBondContact O-N 2.9Å; L337-L339 VanDerWaalsContact O-N 3.14Å | ||
| 338 | S | 34.3 | Very low | 35.1 | Very low | 92 Ų | 92 | 123 Ų | 123 | 64% | 0.643 | 67% | 0.666 | S | S | * | * | trans | -75.6 | 96.8 | 172.7 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | A336 V340 | A336-S338 PolarHBondContact O-N 3.18Å; A336-S338 VanDerWaalsContact O-N 3.13Å; S338-V340 PolarHBondContact O-N 3.1Å; S338-V340 VanDerWaalsContact O-N 3.1Å | ||
| 339 | L | 34.9 | Very low | 35.2 | Very low | 98 Ų | 98 | 125.1 Ų | 125.1 | 51% | 0.513 | 66% | 0.659 | S | S | . | * | trans | -69 | 98.3 | 166.8 | -93.2 | 161 | 0 | 0 | 0 | 109.5 | L337 F341 L354 | L337-L339 PolarHBondContact O-N 2.9Å; L337-L339 VanDerWaalsContact O-N 3.14Å; L339-F341 HydrophobicContact CB-CE2 4.17Å; L339-F341 PolarHBondContact O-N 2.91Å; L339-L354 HydrophobicContact CD2-CD2 3.76Å | ||
| 340 | V | 37.9 | Very low | 35.3 | Very low | 45 Ų | 45 | 125.1 Ų | 125.1 | 27% | 0.273 | 65% | 0.646 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.1 | 104.5 | 173.5 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | L321 S338 F342 | L321-V340 HydrophobicContact CD2-CG1 4.4Å; S338-V340 PolarHBondContact O-N 3.1Å; S338-V340 VanDerWaalsContact O-N 3.1Å; V340-F342 HydrophobicContact CG1-CD2 4.2Å |
| 341 | F | 35.3 | Very low | 35.5 | Very low | 135 Ų | 135 | 116.8 Ų | 116.8 | 59% | 0.592 | 62% | 0.62 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.4 | 117.1 | 168.6 | -67.6 | -88.8 | 0 | 0 | 0 | 109.8 | L339 V352 L354 | L339-F341 HydrophobicContact CB-CE2 4.17Å; L339-F341 PolarHBondContact O-N 2.91Å; F341-V352 HydrophobicContact CD1-CG1 4.11Å; F341-L354 HydrophobicContact CD1-CD2 4.47Å; F341-L354 HydrophobicContact CE1-CD2 4.1Å |
| 342 | F | 40.2 | Very low | 35.8 | Very low | 97 Ų | 97 | 112.3 Ų | 112.3 | 43% | 0.425 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.7 | 117.7 | 167 | -116.1 | -92.5 | 0 | 0 | 0 | 108.2 | V340 V352 Y353 | V340-F342 HydrophobicContact CG1-CD2 4.2Å; F342-V352 CarbonylContact O-C 3.59Å; F342-V352 WeakPolarHBondContact O-CA 3.31Å; F342-Y353 HydrophobicContact CB-CD2 4.14Å; F342-Y353 HydrophobicContact CB-CG 4.37Å; F342-Y353 PolarHBondContact N-O 3.39Å; F342-Y353 PolarHBondContact O-N 3.28Å |
| 343 | S | 34.8 | Very low | 36.2 | Very low | 61 Ų | 61 | 109.2 Ų | 109.2 | 43% | 0.427 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.5 | 110.1 | 166.8 | 57.7 | 0 | 0 | 0 | 0 | 108.9 | ||
| 344 | C | 36.9 | Very low | 36.6 | Very low | 52 Ų | 52 | 106 Ų | 106 | 35% | 0.351 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.8 | 169.2 | -71.2 | 0 | 0 | 0 | 0 | 109.6 | V351 Y353 | C344-V351 PolarHBondContact N-O 2.78Å; C344-V351 VanDerWaalsContact N-O 3.13Å; C344-V351 PolarHBondContact O-N 3.35Å; C344-V351 VanDerWaalsContact O-N 3.08Å; C344-Y353 HydrophobicContact CB-CE2 4.22Å |
| 345 | L | 36 | Very low | 37 | Very low | 82 Ų | 82 | 100.3 Ų | 100.3 | 43% | 0.429 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80 | 117.4 | 163.4 | -89.8 | 147.4 | 0 | 0 | 0 | 108.2 | ||
| 346 | S | 39 | Very low | 37.1 | Very low | 63 Ų | 63 | 96.9 Ų | 96.9 | 44% | 0.441 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 126 | 168.5 | -175.7 | 0 | 0 | 0 | 0 | 107.9 | G348 R349 | S346-G348 VanDerWaalsContact C-N 3.28Å; S346-G348 PolarHBondContact O-N 3.45Å; S346-R349 PolarHBondContact N-O 3.42Å; S346-R349 PolarHBondContact O-N 3.15Å |
| 347 | N | 41 | Very low | 37.5 | Very low | 161 Ų | 161 | 99.8 Ų | 99.8 | 86% | 0.861 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 44.1 | -180 | -60 | -10.8 | 0 | 0 | 0 | 114.3 | R349 | N347-R349 PolarHBondContact O-N 3.26Å; N347-R349 VanDerWaalsContact O-N 3.11Å |
| 348 | G | 42 | Very low | 37.7 | Very low | 73 Ų | 73 | 96 Ų | 96 | 75% | 0.753 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | -2.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S346 | S346-G348 VanDerWaalsContact C-N 3.28Å; S346-G348 PolarHBondContact O-N 3.45Å |
| 349 | R | 37.1 | Very low | 37.7 | Very low | 159 Ų | 159 | 97.8 Ų | 97.8 | 60% | 0.6 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 136 | 176.7 | -65.3 | -177.9 | 177.5 | 179.8 | -1.8 | 110.5 | S346 N347 V351 | S346-R349 PolarHBondContact N-O 3.42Å; S346-R349 PolarHBondContact O-N 3.15Å; N347-R349 PolarHBondContact O-N 3.26Å; N347-R349 VanDerWaalsContact O-N 3.11Å; R349-V351 PolarHBondContact O-N 3.48Å |
| 350 | H | 42.4 | Very low | 37.6 | Very low | 111 Ų | 111 | 97.4 Ų | 97.4 | 51% | 0.514 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 101.4 | 179.2 | -145.8 | -83.7 | 0 | 0 | 0 | 109.2 | ||
| 351 | V | 37.3 | Very low | 37.5 | Very low | 50 Ų | 50 | 102.5 Ų | 102.5 | 30% | 0.303 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.6 | 114.9 | -178.1 | -171.3 | 0 | 0 | 0 | 0 | 109.9 | C344 R349 Y353 | C344-V351 PolarHBondContact N-O 2.78Å; C344-V351 VanDerWaalsContact N-O 3.13Å; C344-V351 PolarHBondContact O-N 3.35Å; C344-V351 VanDerWaalsContact O-N 3.08Å; R349-V351 PolarHBondContact O-N 3.48Å; V351-Y353 HydrophobicContact CB-CD2 4.44Å; V351-Y353 HydrophobicContact CB-CE2 3.84Å; V351-Y353 HydrophobicContact CG1-CD1 4.49Å; V351-Y353 HydrophobicContact CG1-CD2 3.91Å; V351-Y353 HydrophobicContact CG1-CE1 4.09Å; V351-Y353 HydrophobicContact CG1-CE2 3.43Å; V351-Y353 VanDerWaalsContact CG1-CE2 3.43Å; V351-Y353 HydrophobicContact CG1-CG 4.42Å |
| 352 | V | 38 | Very low | 37.4 | Very low | 83 Ų | 83 | 100.7 Ų | 100.7 | 50% | 0.503 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.9 | 106.4 | 173.2 | -177.7 | 0 | 0 | 0 | 0 | 109 | F341 F342 | F341-V352 HydrophobicContact CD1-CG1 4.11Å; F342-V352 CarbonylContact O-C 3.59Å; F342-V352 WeakPolarHBondContact O-CA 3.31Å |
| 353 | Y | 40.6 | Very low | 36.9 | Very low | 119 Ų | 119 | 104.6 Ų | 104.6 | 47% | 0.467 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.6 | 117.2 | 172.8 | -59.1 | -97 | 0 | 0 | 0 | 109.7 | F342 C344 V351 N355 | F342-Y353 HydrophobicContact CB-CD2 4.14Å; F342-Y353 HydrophobicContact CB-CG 4.37Å; F342-Y353 PolarHBondContact N-O 3.39Å; F342-Y353 PolarHBondContact O-N 3.28Å; C344-Y353 HydrophobicContact CB-CE2 4.22Å; V351-Y353 HydrophobicContact CB-CD2 4.44Å; V351-Y353 HydrophobicContact CB-CE2 3.84Å; V351-Y353 HydrophobicContact CG1-CD1 4.49Å; V351-Y353 HydrophobicContact CG1-CD2 3.91Å; V351-Y353 HydrophobicContact CG1-CE1 4.09Å; V351-Y353 HydrophobicContact CG1-CE2 3.43Å; V351-Y353 VanDerWaalsContact CG1-CE2 3.43Å; V351-Y353 HydrophobicContact CG1-CG 4.42Å; Y353-N355 PolarHBondContact O-N 2.87Å |
| 354 | L | 36 | Very low | 36.6 | Very low | 101 Ų | 101 | 109 Ų | 109 | 53% | 0.529 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.3 | 94.7 | 168.2 | -81.1 | 163.6 | 0 | 0 | 0 | 109.4 | L339 F341 F356 | L339-L354 HydrophobicContact CD2-CD2 3.76Å; F341-L354 HydrophobicContact CD1-CD2 4.47Å; F341-L354 HydrophobicContact CE1-CD2 4.1Å; L354-F356 PolarHBondContact O-N 2.85Å; L354-F356 VanDerWaalsContact O-N 3.11Å |
| 355 | N | 39.2 | Very low | 36.3 | Very low | 66 Ų | 66 | 115.9 Ų | 115.9 | 35% | 0.353 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.7 | 93.6 | 173.2 | -103.8 | -41.8 | 0 | 0 | 0 | 110.7 | Y353 M357 | Y353-N355 PolarHBondContact O-N 2.87Å; N355-M357 PolarHBondContact O-N 2.87Å |
| 356 | F | 32.9 | Very low | 36 | Very low | 126 Ų | 126 | 120.1 Ų | 120.1 | 55% | 0.553 | 65% | 0.652 | S | S | * | * | trans | -74.6 | 112.2 | 156 | -84.7 | -91.3 | 0 | 0 | 0 | 108.5 | L354 P358 | L354-F356 PolarHBondContact O-N 2.85Å; L354-F356 VanDerWaalsContact O-N 3.11Å; F356-P358 VanDerWaalsContact C-CD 3.47Å; F356-P358 WeakPolarHBondContact O-CD 3.44Å | ||
| 357 | M | 41 | Very low | 35.7 | Very low | 155 Ų | 155 | 122 Ų | 122 | 76% | 0.764 | 67% | 0.666 | S | S | * | * | trans | -99.1 | 91.5 | 170.6 | -76 | -84.5 | 96.3 | 0 | 0 | 110.2 | N355 | N355-M357 PolarHBondContact O-N 2.87Š| ||
| 358 | P | 34.7 | Very low | 35.2 | Very low | 88 Ų | 88 | 120.1 Ų | 120.1 | 57% | 0.571 | 66% | 0.662 | S | S | * | * | trans | -76.8 | 129.2 | 161.9 | 32.5 | -32 | 0 | 0 | 0 | 109.5 | F356 | F356-P358 VanDerWaalsContact C-CD 3.47Å; F356-P358 WeakPolarHBondContact O-CD 3.44Å | ||
| 359 | D | 34.2 | Very low | 34.7 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 69% | 0.69 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 48.2 | 73.7 | 158.4 | -53.4 | -22.2 | 0 | 0 | 0 | 117.8 | Q361 | D359-Q361 VanDerWaalsContact C-N 3.31Å; D359-Q361 PolarHBondContact O-N 2.92Å |
| 360 | G | 34.2 | Very low | 34.5 | Very low | 89 Ų | 89 | 122.4 Ų | 122.4 | 92% | 0.918 | 67% | 0.673 | S | S | * | * | trans | 54.1 | 28.4 | 133.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 361 | Q | 34.3 | Very low | 34 | Very low | 152 Ų | 152 | 123.1 Ų | 123.1 | 71% | 0.71 | 68% | 0.679 | S | S | * | * | trans | -115.6 | 115.8 | 175.6 | -70.7 | -168.8 | -23.7 | 0 | 0 | 111.7 | D359 | D359-Q361 VanDerWaalsContact C-N 3.31Å; D359-Q361 PolarHBondContact O-N 2.92Å | ||
| 362 | S | 34.8 | Very low | 33.8 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | trans | 25.7 | 112.9 | 154.4 | 54.4 | 0 | 0 | 0 | 0 | 118.2 | L364 | S362-L364 PolarHBondContact O-N 3.2Š| ||
| 363 | L | 28.5 | Very low | 33.5 | Very low | 180 Ų | 180 | 131.4 Ų | 131.4 | 94% | 0.942 | 71% | 0.713 | S | S | * | * | trans | -37.9 | 108.6 | 145.6 | -71.4 | 160.7 | 0 | 0 | 0 | 110.5 | ||||
| 364 | L | 28.3 | Very low | 33.1 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 80% | 0.796 | 73% | 0.729 | S | S | * | * | trans | -171.8 | 129.8 | 159.8 | -103.9 | 165.7 | 0 | 0 | 0 | 110.1 | S362 | S362-L364 PolarHBondContact O-N 3.2Š| ||
| 365 | K | 30.4 | Very low | 32.8 | Very low | 197 Ų | 197 | 136.6 Ų | 136.6 | 86% | 0.857 | 74% | 0.742 | S | S | * | * | trans | 59.4 | 94.6 | 174.4 | -70.8 | -178.8 | 174 | 177.7 | 0 | 117.6 | S367 | K365-S367 PolarHBondContact O-N 2.82Š| ||
| 366 | L | 29.4 | Very low | 32.6 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | -62.9 | 118.9 | 153.2 | -71.7 | 160.7 | 0 | 0 | 0 | 109.6 | ||||
| 367 | S | 33.4 | Very low | 32.6 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -97.8 | 127.8 | 167.4 | 52.4 | 0 | 0 | 0 | 0 | 110.1 | K365 L369 | K365-S367 PolarHBondContact O-N 2.82Å; S367-L369 PolarHBondContact O-N 3.5Å | ||
| 368 | P | 30 | Very low | 32.1 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -82.4 | 112.1 | 178.5 | 32.2 | -31.4 | 0 | 0 | 0 | 110.8 | ||||
| 369 | L | 32.4 | Very low | 32 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | -176.9 | 137.7 | 165.6 | -91.9 | 135.9 | 0 | 0 | 0 | 105.2 | S367 | S367-L369 PolarHBondContact O-N 3.5Š| ||
| 370 | T | 32.8 | Very low | 31.9 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 72% | 0.724 | 82% | 0.82 | S | S | * | * | cis | -132.7 | 132.6 | 24.3 | -35.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 371 | I | 32.1 | Very low | 31.7 | Very low | 126 Ų | 126 | 153.4 Ų | 153.4 | 65% | 0.646 | 81% | 0.814 | S | S | * | * | trans | -80.2 | 116.5 | 163.6 | -61.2 | 172.3 | 0 | 0 | 0 | 106.4 | E373 | I371-E373 HydrophobicContact CG2-CG 3.83Å; I371-E373 PolarHBondContact O-N 3.49Å | ||
| 372 | L | 33.2 | Very low | 31.6 | Very low | 167 Ų | 167 | 153.5 Ų | 153.5 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -80.1 | 96 | 161 | -82.7 | 167.4 | 0 | 0 | 0 | 107.1 | S374 | L372-S374 PolarHBondContact O-N 2.78Š| ||
| 373 | E | 30.8 | Very low | 31.3 | Very low | 140 Ų | 140 | 157.6 Ų | 157.6 | 65% | 0.654 | 83% | 0.831 | S | S | * | * | trans | -70.6 | 101.2 | 164 | -67.9 | -167 | 138.5 | 0 | 0 | 108.4 | I371 R375 | I371-E373 HydrophobicContact CG2-CG 3.83Å; I371-E373 PolarHBondContact O-N 3.49Å; E373-R375 PolarHBondContact O-N 2.89Å | ||
| 374 | S | 32.8 | Very low | 31.5 | Very low | 113 Ų | 113 | 155.8 Ų | 155.8 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | -73.6 | 101.6 | 149.7 | 55.4 | 0 | 0 | 0 | 0 | 106.9 | L372 | L372-S374 PolarHBondContact O-N 2.78Š| ||
| 375 | R | 30.2 | Very low | 31.8 | Very low | 215 Ų | 215 | 156.2 Ų | 156.2 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | trans | -74 | 117.2 | 159.8 | -79.8 | -179.5 | 171.8 | 178.7 | -5.4 | 107.6 | E373 | E373-R375 PolarHBondContact O-N 2.89Š| ||
| 376 | D | 34.4 | Very low | 31.9 | Very low | 240 Ų | 240 | 152.5 Ų | 152.5 | 100% | 1.283 | 82% | 0.822 | S | S | * | * | trans | -165.9 | 0 | 139.2 | -84.3 | -28.3 | 0 | 0 | 0 | 107.6 |
Retrieved 376 of 376 residues in 106.3 ms
(Link to these results)