| 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 | 43.6 | Very low | 39.2 | Very low | 236 Ų | 236 | 165.9 Ų | 165.9 | 100% | 1.163 | 81% | 0.808 | S | S | * | * | 0 | 104.7 | 0 | -70.7 | -66.8 | -176.5 | 0 | 0 | 105.5 | |||||
| 2 | D | 36.6 | Very low | 39.1 | Very low | 146 Ų | 146 | 171.8 Ų | 171.8 | 78% | 0.781 | 82% | 0.815 | S | S | * | * | trans | -76.7 | 126.9 | -152.3 | -59 | -82.6 | 0 | 0 | 0 | 115.5 | ||||
| 3 | D | 40.7 | Very low | 39.2 | Very low | 159 Ų | 159 | 167 Ų | 167 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -113.8 | 93.8 | 161.3 | -85.1 | -30.4 | 0 | 0 | 0 | 109.7 | I5 | D3-I5 PolarHBondContact O-N 3.2Š| ||
| 4 | R | 39.8 | Very low | 39.1 | Very low | 222 Ų | 222 | 167.4 Ų | 167.4 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -77.8 | 94.1 | 171.8 | -80.5 | -175.5 | -179.2 | -167.1 | 0.2 | 110.1 | H6 | R4-H6 PolarHBondContact O-N 3.44Å; R4-H6 VanDerWaalsContact O-N 3.11Å | ||
| 5 | I | 43 | Very low | 39 | Very low | 145 Ų | 145 | 163.3 Ų | 163.3 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | -67.2 | 103.4 | 164.7 | -60.4 | 174.3 | 0 | 0 | 0 | 108.2 | D3 T7 | D3-I5 PolarHBondContact O-N 3.2Å; I5-T7 HydrophobicContact CG2-CG2 4.35Å; I5-T7 PolarHBondContact O-N 3.37Å; I5-T7 VanDerWaalsContact O-N 3.1Å | ||
| 6 | H | 43.1 | Very low | 38.7 | Very low | 163 Ų | 163 | 159.9 Ų | 159.9 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -71.7 | 95.8 | 165.4 | -87.9 | 0.5 | 0 | 0 | 0 | 109.6 | R4 K8 | R4-H6 PolarHBondContact O-N 3.44Å; R4-H6 VanDerWaalsContact O-N 3.11Å; H6-K8 PolarHBondContact O-N 3.03Å | ||
| 7 | T | 37.7 | Very low | 39 | Very low | 118 Ų | 118 | 159.1 Ų | 159.1 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | trans | -65.6 | 97.9 | 161.9 | 44.6 | 0 | 0 | 0 | 0 | 108.6 | I5 T9 | I5-T7 HydrophobicContact CG2-CG2 4.35Å; I5-T7 PolarHBondContact O-N 3.37Å; I5-T7 VanDerWaalsContact O-N 3.1Å; T7-T9 PolarHBondContact O-N 3.15Å; T7-T9 VanDerWaalsContact O-N 3.09Å | ||
| 8 | K | 37.5 | Very low | 38.8 | Very low | 170 Ų | 170 | 161.7 Ų | 161.7 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | trans | -70.2 | 100.6 | 164.2 | -77.4 | -178.3 | 177.4 | 178 | 0 | 107.8 | H6 Y10 | H6-K8 PolarHBondContact O-N 3.03Å; K8-Y10 WeakPolarHBondContact O-CD2 3.45Å; K8-Y10 PolarHBondContact O-N 3.06Å; K8-Y10 VanDerWaalsContact O-N 3.1Å | ||
| 9 | T | 37.6 | Very low | 38.7 | Very low | 122 Ų | 122 | 163.3 Ų | 163.3 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -61.8 | 106.4 | 168.4 | -27 | 0 | 0 | 0 | 0 | 107.6 | T7 D11 | T7-T9 PolarHBondContact O-N 3.15Å; T7-T9 VanDerWaalsContact O-N 3.09Å; T9-D11 PolarHBondContact O-N 3.31Å; T9-D11 VanDerWaalsContact O-N 3.15Å | ||
| 10 | Y | 35.4 | Very low | 38.4 | Very low | 204 Ų | 204 | 161.3 Ų | 161.3 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -71.9 | 104.2 | 167.5 | -69.7 | -85.6 | 0 | 0 | 0 | 107.1 | K8 R12 | K8-Y10 WeakPolarHBondContact O-CD2 3.45Å; K8-Y10 PolarHBondContact O-N 3.06Å; K8-Y10 VanDerWaalsContact O-N 3.1Å; Y10-R12 PolarHBondContact O-N 3.02Å | ||
| 11 | D | 36.5 | Very low | 38.5 | Very low | 140 Ų | 140 | 156 Ų | 156 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | -54.7 | 110.9 | 167.3 | -86.8 | -23.6 | 0 | 0 | 0 | 108.2 | T9 V13 | T9-D11 PolarHBondContact O-N 3.31Å; T9-D11 VanDerWaalsContact O-N 3.15Å; D11-V13 PolarHBondContact O-N 3.43Å | ||
| 12 | R | 37.8 | Very low | 38.3 | Very low | 236 Ų | 236 | 152.2 Ų | 152.2 | 89% | 0.891 | 75% | 0.752 | S | S | * | * | trans | -62.7 | 107.6 | 173.5 | -77.3 | 179.6 | 172.3 | 174.5 | -2.4 | 107.7 | Y10 M14 | Y10-R12 PolarHBondContact O-N 3.02Å; R12-M14 PolarHBondContact O-N 3.45Å | ||
| 13 | V | 40.3 | Very low | 39.2 | Very low | 110 Ų | 110 | 156.1 Ų | 156.1 | 67% | 0.667 | 76% | 0.756 | S | S | * | * | trans | -60.9 | 106.8 | 168.2 | 179.9 | 0 | 0 | 0 | 0 | 107.6 | D11 I15 | D11-V13 PolarHBondContact O-N 3.43Å; V13-I15 HydrophobicContact CG1-CG1 4.44Å; V13-I15 PolarHBondContact O-N 3.16Å | ||
| 14 | M | 37.5 | Very low | 39.7 | Very low | 173 Ų | 173 | 156.4 Ų | 156.4 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | trans | -67.5 | 110.7 | 167.8 | -72.2 | -130.5 | 83.9 | 0 | 0 | 108 | R12 P16 | R12-M14 PolarHBondContact O-N 3.45Å; M14-P16 WeakPolarHBondContact O-CD 3.29Å | ||
| 15 | I | 38.3 | Very low | 40 | Very low | 105 Ų | 105 | 149.3 Ų | 149.3 | 54% | 0.538 | 73% | 0.729 | S | S | . | * | trans | -86.5 | 119.1 | 169.5 | -58.5 | 174.1 | 0 | 0 | 0 | 106.6 | V13 T17 Y45 | V13-I15 HydrophobicContact CG1-CG1 4.44Å; V13-I15 PolarHBondContact O-N 3.16Å; I15-T17 PolarHBondContact O-N 2.71Å; I15-Y45 HydrophobicContact CD1-CE1 4.44Å | ||
| 16 | P | 33.5 | Very low | 40.6 | Very low | 109 Ų | 109 | 146.5 Ų | 146.5 | 71% | 0.708 | 72% | 0.716 | S | S | * | * | trans | -62.9 | 110.4 | 176.5 | -19.1 | 31.4 | 0 | 0 | 0 | 109.8 | M14 R18 | M14-P16 WeakPolarHBondContact O-CD 3.29Å; P16-R18 PolarHBondContact O-N 2.86Å | ||
| 17 | T | 44.2 | Very low | 41.1 | Very low | 147 Ų | 147 | 143.7 Ų | 143.7 | 90% | 0.902 | 71% | 0.712 | S | S | * | * | trans | -80.5 | 3.5 | -179.4 | 43.2 | 0 | 0 | 0 | 0 | 113.4 | I15 | I15-T17 PolarHBondContact O-N 2.71Š| ||
| 18 | R | 35.8 | Very low | 41.9 | Very low | 205 Ų | 205 | 141.7 Ų | 141.7 | 77% | 0.774 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -123.6 | 124.1 | -176.4 | -146.6 | 172.2 | -177.7 | 146.2 | 0.2 | 110.1 | P16 N20 | P16-R18 PolarHBondContact O-N 2.86Å; R18-N20 PolarHBondContact O-N 2.9Å |
| 19 | M | 35.9 | Very low | 42.5 | Very low | 193 Ų | 193 | 137.3 Ų | 137.3 | 95% | 0.951 | 69% | 0.687 | S | S | * | * | trans | -65.4 | 60.4 | 177.4 | -77.9 | -82.5 | -164.3 | 0 | 0 | 112.4 | ||||
| 20 | N | 34.4 | Very low | 43 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 65% | 0.652 | 67% | 0.669 | S | S | * | * | trans | -112.1 | 100.8 | 170.5 | -75.1 | 10.7 | 0 | 0 | 0 | 108.7 | R18 | R18-N20 PolarHBondContact O-N 2.9Š| ||
| 21 | S | 38.7 | Very low | 43.7 | Very low | 51 Ų | 51 | 131 Ų | 131 | 36% | 0.357 | 66% | 0.658 | S | S | . | * | trans | 46.2 | 100.9 | 152.5 | -156.1 | 0 | 0 | 0 | 0 | 117.7 | R23 E24 | S21-R23 PolarHBondContact O-N 3.35Å; S21-R23 WeakPolarHBondContact OG-CB 3.48Å; S21-R23 PolarHBondContact OG-NE 2.95Å; S21-E24 PolarHBondContact O-N 2.96Å | ||
| 22 | M | 40.7 | Very low | 44.2 | Very low | 156 Ų | 156 | 132.3 Ų | 132.3 | 77% | 0.768 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.3 | -3.2 | 160.3 | -89.8 | -169.7 | 51.3 | 0 | 0 | 115.3 | ||
| 23 | R | 54.4 | Low | 44.6 | Very low | 228 Ų | 228 | 125.5 Ų | 125.5 | 86% | 0.86 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -9.4 | 178.7 | -66.1 | -178.6 | -94.6 | -144.4 | -2.6 | 114.1 | S21 | S21-R23 PolarHBondContact O-N 3.35Å; S21-R23 WeakPolarHBondContact OG-CB 3.48Å; S21-R23 PolarHBondContact OG-NE 2.95Å |
| 24 | E | 52.2 | Low | 44.6 | Very low | 165 Ų | 165 | 124.5 Ų | 124.5 | 77% | 0.771 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -105.8 | 4.8 | -176.2 | -70.5 | 177.1 | -176 | 0 | 0 | 114.1 | S21 | S21-E24 PolarHBondContact O-N 2.96Š|
| 25 | M | 46.7 | Very low | 44.9 | Very low | 74 Ų | 74 | 122.2 Ų | 122.2 | 37% | 0.365 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -88.1 | 130.4 | -177.1 | -128.5 | 171.9 | 76.2 | 0 | 0 | 111.8 | D29 L30 I33 | M25-D29 HydrophobicContact CE-CB 4.03Å; M25-D29 HydrophobicContact CG-CB 4.38Å; M25-L30 HydrophobicContact CE-CB 4.32Å; M25-L30 HydrophobicContact CE-CD1 4.23Å; M25-L30 HydrophobicContact CE-CG 3.8Å; M25-I33 HydrophobicContact CE-CD1 3.46Å; M25-I33 VanDerWaalsContact CE-CD1 3.46Å; M25-I33 HydrophobicContact SD-CD1 4.31Å |
| 26 | D | 54.5 | Low | 45 | Very low | 86 Ų | 86 | 125 Ų | 125 | 46% | 0.46 | 62% | 0.62 | S | S | . | * | trans | -58.4 | 133.7 | 174.5 | -172.1 | -40.3 | 0 | 0 | 0 | 109.9 | S28 D29 | D26-S28 PolarHBondContact O-N 3.39Å; D26-S28 VanDerWaalsContact OD1-CB 3.28Å; D26-S28 WeakPolarHBondContact OD1-CB 3.31Å; D26-S28 PolarHBondContact OD1-N 3.27Å; D26-S28 PolarHBondContact OD1-OG 3.38Å; D26-D29 PolarHBondContact O-N 3.38Å | ||
| 27 | P | 53.4 | Low | 45.2 | Very low | 103 Ų | 103 | 127.6 Ų | 127.6 | 67% | 0.669 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -48.7 | -28.3 | 174.8 | -27.7 | 33.1 | 0 | 0 | 0 | 114.6 | H31 | P27-H31 PolarHBondContact O-N 2.93Å |
| 28 | S | 54.7 | Low | 44.9 | Very low | 76 Ų | 76 | 127.4 Ų | 127.4 | 53% | 0.531 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.8 | -34.7 | 178.2 | -47.9 | 0 | 0 | 0 | 0 | 112.9 | D26 H31 R32 | D26-S28 PolarHBondContact O-N 3.39Å; D26-S28 VanDerWaalsContact OD1-CB 3.28Å; D26-S28 WeakPolarHBondContact OD1-CB 3.31Å; D26-S28 PolarHBondContact OD1-N 3.27Å; D26-S28 PolarHBondContact OD1-OG 3.38Å; S28-H31 PolarHBondContact O-N 3.26Å; S28-R32 PolarHBondContact O-N 3.19Å |
| 29 | D | 50.3 | Low | 44.7 | Very low | 79 Ų | 79 | 123.4 Ų | 123.4 | 42% | 0.422 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -78.6 | -33.1 | -179.7 | -69 | -34.1 | 0 | 0 | 0 | 112.1 | M25 D26 H31 R32 I33 | M25-D29 HydrophobicContact CE-CB 4.03Å; M25-D29 HydrophobicContact CG-CB 4.38Å; D26-D29 PolarHBondContact O-N 3.38Å; D29-H31 VanDerWaalsContact C-N 3.26Å; D29-H31 PolarHBondContact O-N 2.96Å; D29-R32 PolarHBondContact O-N 2.74Å; D29-I33 WeakPolarHBondContact O-CG1 3.28Å; D29-I33 PolarHBondContact O-N 3.19Å; D29-I33 VanDerWaalsContact O-N 3.07Å |
| 30 | L | 48.7 | Very low | 44.4 | Very low | 71 Ų | 71 | 121.2 Ų | 121.2 | 37% | 0.372 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.9 | -35.2 | 171.7 | -109 | 142.7 | 0 | 0 | 0 | 111.8 | M25 N34 | M25-L30 HydrophobicContact CE-CB 4.32Å; M25-L30 HydrophobicContact CE-CD1 4.23Å; M25-L30 HydrophobicContact CE-CG 3.8Å; L30-N34 PolarHBondContact O-N 3.11Å; L30-N34 PolarHBondContact O-ND2 2.82Å |
| 31 | H | 50.1 | Low | 44.2 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 57% | 0.569 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.4 | -37 | 177.5 | -151 | 74.7 | 0 | 0 | 0 | 111.9 | P27 S28 D29 Q35 | P27-H31 PolarHBondContact O-N 2.93Å; S28-H31 PolarHBondContact O-N 3.26Å; D29-H31 VanDerWaalsContact C-N 3.26Å; D29-H31 PolarHBondContact O-N 2.96Å; H31-Q35 PolarHBondContact CD2-NE2 3.38Å; H31-Q35 PolarHBondContact NE2-NE2 3.09Å; H31-Q35 VanDerWaalsContact NE2-NE2 3.16Å; H31-Q35 WeakPolarHBondContact O-CG 3.46Å; H31-Q35 PolarHBondContact O-N 3.01Å; H31-Q35 VanDerWaalsContact O-N 3.13Å |
| 32 | R | 46.6 | Very low | 43.8 | Very low | 167 Ų | 167 | 125.6 Ų | 125.6 | 63% | 0.63 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.3 | -48.3 | 172.7 | -85.1 | -175.1 | 170.8 | -139.5 | -0.3 | 112 | S28 D29 N34 Q35 F36 | S28-R32 PolarHBondContact O-N 3.19Å; D29-R32 PolarHBondContact O-N 2.74Å; R32-N34 VanDerWaalsContact C-N 3.3Å; R32-N34 PolarHBondContact O-N 3.29Å; R32-Q35 PolarHBondContact O-N 3.18Å; R32-F36 WeakPolarHBondContact O-CD2 3.42Å; R32-F36 PolarHBondContact O-N 2.82Å |
| 33 | I | 45.7 | Very low | 43.4 | Very low | 92 Ų | 92 | 126.6 Ų | 126.6 | 47% | 0.472 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -61.4 | -39 | -178.1 | -66.5 | 165.7 | 0 | 0 | 0 | 111.6 | M25 D29 Q37 | M25-I33 HydrophobicContact CE-CD1 3.46Å; M25-I33 VanDerWaalsContact CE-CD1 3.46Å; M25-I33 HydrophobicContact SD-CD1 4.31Å; D29-I33 WeakPolarHBondContact O-CG1 3.28Å; D29-I33 PolarHBondContact O-N 3.19Å; D29-I33 VanDerWaalsContact O-N 3.07Å; I33-Q37 WeakPolarHBondContact O-CG 3.38Å; I33-Q37 PolarHBondContact O-N 2.66Å |
| 34 | N | 39.8 | Very low | 42.2 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 48% | 0.481 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -74.8 | -30.2 | 179.6 | -74.4 | -45.2 | 0 | 0 | 0 | 113.5 | L30 R32 | L30-N34 PolarHBondContact O-N 3.11Å; L30-N34 PolarHBondContact O-ND2 2.82Å; R32-N34 VanDerWaalsContact C-N 3.3Å; R32-N34 PolarHBondContact O-N 3.29Å |
| 35 | Q | 45.8 | Very low | 41.2 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 58% | 0.584 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.9 | -30.9 | 174 | -75.9 | -166.9 | 29.8 | 0 | 0 | 112.9 | H31 R32 | H31-Q35 PolarHBondContact CD2-NE2 3.38Å; H31-Q35 PolarHBondContact NE2-NE2 3.09Å; H31-Q35 VanDerWaalsContact NE2-NE2 3.16Å; H31-Q35 WeakPolarHBondContact O-CG 3.46Å; H31-Q35 PolarHBondContact O-N 3.01Å; H31-Q35 VanDerWaalsContact O-N 3.13Å; R32-Q35 PolarHBondContact O-N 3.18Å |
| 36 | F | 38.6 | Very low | 40.4 | Very low | 163 Ų | 163 | 128 Ų | 128 | 72% | 0.715 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -78.9 | -16.1 | 176.8 | -78 | -71.2 | 0 | 0 | 0 | 114.3 | R32 | R32-F36 WeakPolarHBondContact O-CD2 3.42Å; R32-F36 PolarHBondContact O-N 2.82Å |
| 37 | Q | 39 | Very low | 39 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 76% | 0.762 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -18.5 | 176.5 | -71.6 | -103.3 | -51.3 | 0 | 0 | 113.3 | I33 | I33-Q37 WeakPolarHBondContact O-CG 3.38Å; I33-Q37 PolarHBondContact O-N 2.66Å |
| 38 | L | 37 | Very low | 37.8 | Very low | 144 Ų | 144 | 133.6 Ų | 133.6 | 75% | 0.754 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -91.8 | -11.2 | -171.8 | -85.8 | 159.7 | 0 | 0 | 0 | 114.7 | ||
| 39 | N | 31.3 | Very low | 36.5 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 65% | 0.647 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -137.8 | 125.3 | 175.5 | -77.1 | -33.9 | 0 | 0 | 0 | 109.7 | ||
| 40 | N | 29.6 | Very low | 35.5 | Very low | 146 Ų | 146 | 142 Ų | 142 | 78% | 0.781 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 97.8 | 110.1 | 160.8 | -47.1 | -41.6 | 0 | 0 | 0 | 117.8 | ||
| 41 | N | 30.8 | Very low | 34.5 | Very low | 134 Ų | 134 | 143.4 Ų | 143.4 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | trans | 47.7 | 114.1 | 144.2 | -68.4 | -36.8 | 0 | 0 | 0 | 119.4 | F43 | N41-F43 PolarHBondContact O-N 2.77Š| ||
| 42 | P | 31.1 | Very low | 33.5 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 86% | 0.857 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -77.9 | 26.8 | 169.5 | 35.3 | -33.9 | 0 | 0 | 0 | 113.1 | ||
| 43 | F | 31.2 | Very low | 32.8 | Very low | 176 Ų | 176 | 144 Ų | 144 | 77% | 0.772 | 74% | 0.737 | S | S | * | * | trans | -119 | 79.5 | 178 | -86.5 | -82 | 0 | 0 | 0 | 109.3 | N41 | N41-F43 PolarHBondContact O-N 2.77Š| ||
| 44 | L | 30.2 | Very low | 32.1 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | 178.3 | 110.5 | 153.2 | -99.2 | 175.1 | 0 | 0 | 0 | 107.3 | ||||
| 45 | Y | 30 | Very low | 31.6 | Very low | 187 Ų | 187 | 146.4 Ų | 146.4 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | 156.3 | 84 | 156.7 | -95.8 | -74.3 | 0 | 0 | 0 | 106.4 | I15 | I15-Y45 HydrophobicContact CD1-CE1 4.44Š| ||
| 46 | H | 29.9 | Very low | 30.8 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | 73.7 | 118.4 | 78.2 | -142 | -63.2 | 0 | 0 | 0 | 112.3 | |||||
| 47 | E | 25.8 | Very low | 30.5 | Very low | 157 Ų | 157 | 143.9 Ų | 143.9 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -31.6 | 131.4 | 165.3 | -60.7 | 155.9 | 145.8 | 0 | 0 | 112.1 | ||||
| 48 | I | 27 | Very low | 30 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | 179.6 | 77 | 143.3 | -77.5 | 138.2 | 0 | 0 | 0 | 105.3 | ||||
| 49 | L | 29 | Very low | 29.8 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -156.9 | 71.2 | 162.1 | -80.6 | -176 | 0 | 0 | 0 | 106.5 | ||
| 50 | N | 29.2 | Very low | 29.7 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | -177.9 | 73.2 | 159.8 | -91.4 | -13.5 | 0 | 0 | 0 | 108.8 | ||||
| 51 | S | 27.3 | Very low | 29.8 | Very low | 100 Ų | 100 | 142.3 Ų | 142.3 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | -141.6 | 58.4 | 168.4 | 29.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 52 | N | 29.6 | Very low | 29.8 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -129.9 | 52.7 | 164 | -81.4 | -13.7 | 0 | 0 | 0 | 109.6 | ||||
| 53 | T | 31.6 | Very low | 29.6 | Very low | 138 Ų | 138 | 147 Ų | 147 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -148.2 | 75.9 | 162 | 54.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 54 | S | 30.2 | Very low | 29.6 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -79.1 | 132.3 | 156.1 | -73.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 55 | S | 29.4 | Very low | 29.6 | Very low | 116 Ų | 116 | 143 Ų | 143 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | 85.3 | 111.3 | 155.3 | -55.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 56 | A | 30 | Very low | 29.7 | Very low | 86 Ų | 86 | 141.8 Ų | 141.8 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | 117.7 | 112.9 | 123.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 57 | L | 31.6 | Very low | 29.6 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | 76.9 | 99.7 | 143.9 | -55.6 | 167.2 | 0 | 0 | 0 | 115.9 | ||||
| 58 | I | 29 | Very low | 29.9 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | 46.1 | 100.5 | 84.9 | -53.3 | 175.9 | 0 | 0 | 0 | 110.5 | |||||
| 59 | T | 32.9 | Very low | 30.2 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | 166.5 | 124 | 114.8 | -47.2 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 60 | G | 27.3 | Very low | 30.2 | Very low | 69 Ų | 69 | 142.5 Ų | 142.5 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | 86.4 | 130.6 | 134.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 61 | M | 31.9 | Very low | 30.3 | Very low | 186 Ų | 186 | 141 Ų | 141 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | 107.3 | 83.9 | 146.8 | -47.7 | -154.6 | 79.1 | 0 | 0 | 118.8 | ||||
| 62 | S | 31.8 | Very low | 30.4 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | 24.7 | 131.1 | 128.7 | -43.5 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 63 | R | 25.7 | Very low | 30.6 | Very low | 242 Ų | 242 | 141.7 Ų | 141.7 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | trans | -73.6 | 155 | 164.5 | -118.7 | 179 | -178.9 | -163.6 | -0.3 | 112.5 | ||||
| 64 | P | 32.6 | Very low | 30.8 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | trans | -123.4 | 143 | 144.8 | 32.9 | -19.5 | 0 | 0 | 0 | 113.1 | ||||
| 65 | T | 28.8 | Very low | 31 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -73.3 | 144.4 | 169.3 | 44.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 66 | L | 33.7 | Very low | 31.2 | Very low | 161 Ų | 161 | 144 Ų | 144 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -149.2 | 101.9 | 158.3 | -154.3 | 78.8 | 0 | 0 | 0 | 110.5 | ||||
| 67 | E | 26.9 | Very low | 31.3 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -59.7 | 131.6 | 151.1 | -62.7 | 173.7 | 147.5 | 0 | 0 | 108.1 | ||||
| 68 | N | 31.9 | Very low | 31.3 | Very low | 134 Ų | 134 | 148.1 Ų | 148.1 | 72% | 0.717 | 82% | 0.818 | S | S | * | * | trans | 168 | 110.4 | 152.8 | -85.1 | -25.9 | 0 | 0 | 0 | 106.7 | ||||
| 69 | N | 33.9 | Very low | 31.4 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 90% | 0.904 | 82% | 0.815 | S | S | * | * | trans | 168.3 | 64.2 | 149.7 | -80.2 | -16.4 | 0 | 0 | 0 | 108.1 | ||||
| 70 | I | 29.8 | Very low | 31.3 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -113.5 | 100.7 | 161.1 | -63.9 | 174.9 | 0 | 0 | 0 | 105.3 | ||||
| 71 | L | 30.4 | Very low | 31.4 | Very low | 136 Ų | 136 | 155.6 Ų | 155.6 | 71% | 0.712 | 83% | 0.825 | S | S | * | * | trans | 155.4 | 111.3 | 157.2 | -112.1 | 59.2 | 0 | 0 | 0 | 104.5 | ||||
| 72 | D | 30.2 | Very low | 31.4 | Very low | 168 Ų | 168 | 154.1 Ų | 154.1 | 90% | 0.898 | 82% | 0.821 | S | S | * | * | S | Bend | trans | 166.5 | 5.2 | 149 | -83.2 | -10.2 | 0 | 0 | 0 | 115.3 | ||
| 73 | S | 32.9 | Very low | 31.4 | Very low | 109 Ų | 109 | 156 Ų | 156 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | trans | -115.4 | 16.2 | 179.5 | -118.2 | 0 | 0 | 0 | 0 | 116.9 | N75 | S73-N75 PolarHBondContact O-N 3.49Š| ||
| 74 | I | 35.6 | Very low | 31.6 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 77% | 0.774 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -1.6 | -175.2 | -65.8 | 175.4 | 0 | 0 | 0 | 114.1 | ||
| 75 | N | 34.4 | Very low | 31.7 | Very low | 160 Ų | 160 | 150.4 Ų | 150.4 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 11.4 | -169.4 | -74.1 | -24.1 | 0 | 0 | 0 | 117.9 | S73 | S73-N75 PolarHBondContact O-N 3.49Š|
| 76 | S | 33.5 | Very low | 31.9 | Very low | 108 Ų | 108 | 151.8 Ų | 151.8 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -112 | -0.2 | -178.3 | -86.3 | 0 | 0 | 0 | 0 | 117.3 | K78 | S76-K78 PolarHBondContact O-N 3.4Š|
| 77 | S | 32.6 | Very low | 31.9 | Very low | 120 Ų | 120 | 151.3 Ų | 151.3 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -98.3 | 26.5 | -170.6 | -52.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 78 | K | 31.3 | Very low | 32.2 | Very low | 204 Ų | 204 | 152.9 Ų | 152.9 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -111.5 | 11.3 | -171 | -116.5 | 175.7 | -175 | 176.2 | 0 | 116.9 | S76 | S76-K78 PolarHBondContact O-N 3.4Š|
| 79 | T | 32.1 | Very low | 32.2 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 72% | 0.718 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -137.6 | 114.1 | 176.8 | 56.6 | 0 | 0 | 0 | 0 | 109.1 | ||
| 80 | L | 29.7 | Very low | 32.2 | Very low | 163 Ų | 163 | 147.8 Ų | 147.8 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | 146.2 | 27.9 | 162.9 | -78.5 | 162.9 | 0 | 0 | 0 | 113.7 | ||||
| 81 | Y | 29.1 | Very low | 32.3 | Very low | 231 Ų | 231 | 147.1 Ų | 147.1 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -90.7 | 100 | 149.5 | -105.2 | -95.6 | 0 | 0 | 0 | 106 | ||||
| 82 | D | 32.2 | Very low | 32.4 | Very low | 156 Ų | 156 | 146.3 Ų | 146.3 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -178.1 | -1 | 158 | -98.4 | -18.3 | 0 | 0 | 0 | 116.6 | ||||
| 83 | N | 32.4 | Very low | 32.6 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | trans | -108.9 | 64.1 | 177.1 | -64.9 | -29.8 | 0 | 0 | 0 | 111.7 | ||||
| 84 | S | 29.9 | Very low | 32.4 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -87.1 | 148.5 | 158.5 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 85 | L | 34.1 | Very low | 32.3 | Very low | 147 Ų | 147 | 141.7 Ų | 141.7 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 70.7 | 93.9 | -178.1 | -76.7 | 70.8 | 0 | 0 | 0 | 115.1 | ||
| 86 | N | 34.2 | Very low | 32.3 | Very low | 157 Ų | 157 | 142 Ų | 142 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | -179.7 | -2.5 | 128.8 | -89.4 | -21.6 | 0 | 0 | 0 | 117.9 | K88 | N86-K88 PolarHBondContact O-N 2.92Š| |||
| 87 | D | 32.2 | Very low | 32.5 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | trans | -103 | 80 | -173 | -67.5 | -35.4 | 0 | 0 | 0 | 115 | ||||
| 88 | K | 33 | Very low | 32.6 | Very low | 207 Ų | 207 | 141.1 Ų | 141.1 | 90% | 0.9 | 73% | 0.73 | S | S | * | * | trans | -105.5 | 88.2 | 156 | -78 | 179.2 | 177.4 | 173.9 | 0 | 108.1 | N86 | N86-K88 PolarHBondContact O-N 2.92Š| ||
| 89 | P | 33 | Very low | 32.8 | Very low | 92 Ų | 92 | 135.6 Ų | 135.6 | 60% | 0.597 | 72% | 0.723 | S | S | * | * | -149.4 | 29.3 | 118.6 | 37.6 | -19.3 | 0 | 0 | 0 | 115.4 | L91 | P89-L91 VanDerWaalsContact C-N 3.34Å; P89-L91 PolarHBondContact O-N 3.43Å | |||
| 90 | M | 34 | Very low | 32.9 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 51% | 0.507 | 72% | 0.724 | S | S | . | * | H | α-helix | trans | -73.1 | -18.4 | -178 | -82.1 | -149.6 | 73 | 0 | 0 | 115.6 | N92 I190 | M90-N92 PolarHBondContact O-N 3.24Å; M90-I190 HydrophobicContact CE-CD1 4Å |
| 91 | L | 32.3 | Very low | 33.2 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 78% | 0.775 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -77.3 | -19.5 | -176.7 | -126 | 156.1 | 0 | 0 | 0 | 113.3 | P89 | P89-L91 VanDerWaalsContact C-N 3.34Å; P89-L91 PolarHBondContact O-N 3.43Å |
| 92 | N | 32.5 | Very low | 33.6 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 63% | 0.631 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -90.7 | -20.2 | 175.7 | -75.8 | -15.2 | 0 | 0 | 0 | 113.4 | M90 C94 L95 | M90-N92 PolarHBondContact O-N 3.24Å; N92-C94 VanDerWaalsContact C-N 3.33Å; N92-C94 PolarHBondContact O-N 2.88Å; N92-L95 PolarHBondContact O-N 3.47Å |
| 93 | Q | 33 | Very low | 33.7 | Very low | 118 Ų | 118 | 126 Ų | 126 | 55% | 0.551 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -70.5 | -28.3 | 175.5 | -90.4 | 176.6 | -2.2 | 0 | 0 | 112.6 | L95 H97 | Q93-L95 VanDerWaalsContact C-N 3.3Å; Q93-L95 PolarHBondContact O-N 3.08Å; Q93-H97 PolarHBondContact O-CE1 3.48Å; Q93-H97 PolarHBondContact O-ND1 3.09Å |
| 94 | C | 29.7 | Very low | 33.6 | Very low | 97 Ų | 97 | 125.7 Ų | 125.7 | 66% | 0.655 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -75.6 | -15.6 | 176.5 | -69.8 | 0 | 0 | 0 | 0 | 114.2 | N92 | N92-C94 VanDerWaalsContact C-N 3.33Å; N92-C94 PolarHBondContact O-N 2.88Å |
| 95 | L | 33.6 | Very low | 33.7 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 61% | 0.613 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -89.1 | -30.3 | 179.7 | -84.5 | 150.5 | 0 | 0 | 0 | 112.9 | N92 Q93 H97 S98 | N92-L95 PolarHBondContact O-N 3.47Å; Q93-L95 VanDerWaalsContact C-N 3.3Å; Q93-L95 PolarHBondContact O-N 3.08Å; L95-H97 PolarHBondContact O-N 3.04Å; L95-S98 PolarHBondContact O-OG 3.44Å |
| 96 | E | 34.4 | Very low | 33.5 | Very low | 165 Ų | 165 | 126.9 Ų | 126.9 | 77% | 0.771 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -77.4 | -17 | 178.6 | -65.1 | -150.9 | 156.8 | 0 | 0 | 114.7 | S98 | E96-S98 PolarHBondContact O-N 3.34Å |
| 97 | H | 37.6 | Very low | 33.3 | Very low | 133 Ų | 133 | 124.4 Ų | 124.4 | 62% | 0.616 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -80.9 | 1.4 | 178.2 | -68.7 | 77.8 | 0 | 0 | 0 | 113.9 | Q93 L95 A99 | Q93-H97 PolarHBondContact O-CE1 3.48Å; Q93-H97 PolarHBondContact O-ND1 3.09Å; L95-H97 PolarHBondContact O-N 3.04Å; H97-A99 PolarHBondContact O-N 3.4Å |
| 98 | S | 34.7 | Very low | 33 | Very low | 77 Ų | 77 | 123.6 Ų | 123.6 | 54% | 0.538 | 65% | 0.648 | S | S | . | * | G | 310 helix | trans | -74.9 | -7.9 | 176.3 | 62.5 | 0 | 0 | 0 | 0 | 113.8 | L95 E96 N100 L101 | L95-S98 PolarHBondContact O-OG 3.44Å; E96-S98 PolarHBondContact O-N 3.34Å; S98-N100 PolarHBondContact O-N 3.36Å; S98-N100 VanDerWaalsContact O-N 3.11Å; S98-L101 WeakPolarHBondContact O-CD1 3.38Å; S98-L101 WeakPolarHBondContact O-CG 3.32Å |
| 99 | A | 34.6 | Very low | 33.1 | Very low | 89 Ų | 89 | 120.4 Ų | 120.4 | 74% | 0.736 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -69.5 | -1.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | H97 L101 | H97-A99 PolarHBondContact O-N 3.4Å; A99-L101 VanDerWaalsContact C-N 3.34Å; A99-L101 PolarHBondContact O-N 2.94Å |
| 100 | N | 34.3 | Very low | 33.2 | Very low | 139 Ų | 139 | 120.1 Ų | 120.1 | 74% | 0.743 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -93.2 | 18.9 | 178.8 | -70.1 | -50.2 | 0 | 0 | 0 | 114.2 | S98 L102 | S98-N100 PolarHBondContact O-N 3.36Å; S98-N100 VanDerWaalsContact O-N 3.11Å; N100-L102 PolarHBondContact O-N 2.9Å; N100-L102 VanDerWaalsContact O-N 3.16Å |
| 101 | L | 36.8 | Very low | 33.2 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 62% | 0.618 | 66% | 0.657 | S | S | * | * | trans | -78.9 | 96.6 | 177.3 | -71.6 | 168 | 0 | 0 | 0 | 110.8 | S98 A99 N119 | S98-L101 WeakPolarHBondContact O-CD1 3.38Å; S98-L101 WeakPolarHBondContact O-CG 3.32Å; A99-L101 VanDerWaalsContact C-N 3.34Å; A99-L101 PolarHBondContact O-N 2.94Å; L101-N119 PolarHBondContact O-ND2 2.91Å | ||
| 102 | L | 36.7 | Very low | 33.4 | Very low | 117 Ų | 117 | 121.1 Ų | 121.1 | 61% | 0.613 | 66% | 0.655 | S | S | * | * | trans | -47.3 | 150.5 | 161.8 | -83.8 | 162.8 | 0 | 0 | 0 | 111 | N100 Y104 | N100-L102 PolarHBondContact O-N 2.9Å; N100-L102 VanDerWaalsContact O-N 3.16Å; L102-Y104 PolarHBondContact O-N 3.37Å; L102-Y104 VanDerWaalsContact O-N 3.15Å | ||
| 103 | P | 35.1 | Very low | 33.4 | Very low | 90 Ų | 90 | 122 Ų | 122 | 58% | 0.584 | 66% | 0.659 | S | S | * | * | trans | -53.4 | 121.1 | -171.6 | -21.6 | 30.2 | 0 | 0 | 0 | 111.6 | I105 | P103-I105 PolarHBondContact O-N 2.9Š| ||
| 104 | Y | 31 | Very low | 33.5 | Very low | 154 Ų | 154 | 120.8 Ų | 120.8 | 60% | 0.604 | 66% | 0.655 | S | S | * | * | trans | -82.4 | 109.8 | 172.9 | -158.6 | -75.3 | 0 | 0 | 0 | 108.1 | L102 Y106 | L102-Y104 PolarHBondContact O-N 3.37Å; L102-Y104 VanDerWaalsContact O-N 3.15Å; Y104-Y106 AromaticContact CD1-CD2 3.16Å; Y104-Y106 HydrophobicContact CD1-CD2 3.16Å; Y104-Y106 AromaticContact CD1-CE2 3.26Å; Y104-Y106 HydrophobicContact CD1-CE2 3.26Å; Y104-Y106 AromaticContact CD1-CG 3.85Å; Y104-Y106 HydrophobicContact CD1-CG 3.85Å; Y104-Y106 AromaticContact CE1-CD1 3.91Å; Y104-Y106 HydrophobicContact CE1-CD1 3.91Å; Y104-Y106 AromaticContact CE1-CD2 3.23Å; Y104-Y106 HydrophobicContact CE1-CD2 3.23Å; Y104-Y106 AromaticContact CE1-CE1 3.72Å; Y104-Y106 HydrophobicContact CE1-CE1 3.72Å; Y104-Y106 AromaticContact CE1-CE2 2.99Å; Y104-Y106 HydrophobicContact CE1-CE2 2.99Å; Y104-Y106 AromaticContact CE1-CG 3.67Å; Y104-Y106 HydrophobicContact CE1-CG 3.67Å; Y104-Y106 AromaticContact CE1-CZ 3.25Å; Y104-Y106 HydrophobicContact CG-CD2 4.29Å; Y104-Y106 HydrophobicContact CG-CE2 4.21Å; Y104-Y106 AromaticContact CZ-CE2 3.76Å; Y104-Y106 AromaticContact CZ-CZ 3.73Å; Y104-Y106 PolarHBondContact O-N 3.37Å; Y104-Y106 PolarHBondContact OH-OH 3.36Å | ||
| 105 | I | 30.9 | Very low | 33.6 | Very low | 97 Ų | 97 | 122.6 Ų | 122.6 | 50% | 0.497 | 66% | 0.656 | S | S | . | * | trans | -85.4 | 102.2 | 171.7 | -57.4 | -179.9 | 0 | 0 | 0 | 107.5 | P103 M114 | P103-I105 PolarHBondContact O-N 2.9Å; I105-M114 HydrophobicContact CG2-CE 3.46Å; I105-M114 VanDerWaalsContact CG2-CE 3.46Å | ||
| 106 | Y | 30.4 | Very low | 33.4 | Very low | 177 Ų | 177 | 125.2 Ų | 125.2 | 69% | 0.694 | 66% | 0.659 | S | S | * | * | trans | -85.3 | 120.4 | 160.4 | -90.8 | -76.1 | 0 | 0 | 0 | 108.3 | Y104 N108 | Y104-Y106 AromaticContact CD1-CD2 3.16Å; Y104-Y106 HydrophobicContact CD1-CD2 3.16Å; Y104-Y106 AromaticContact CD1-CE2 3.26Å; Y104-Y106 HydrophobicContact CD1-CE2 3.26Å; Y104-Y106 AromaticContact CD1-CG 3.85Å; Y104-Y106 HydrophobicContact CD1-CG 3.85Å; Y104-Y106 AromaticContact CE1-CD1 3.91Å; Y104-Y106 HydrophobicContact CE1-CD1 3.91Å; Y104-Y106 AromaticContact CE1-CD2 3.23Å; Y104-Y106 HydrophobicContact CE1-CD2 3.23Å; Y104-Y106 AromaticContact CE1-CE1 3.72Å; Y104-Y106 HydrophobicContact CE1-CE1 3.72Å; Y104-Y106 AromaticContact CE1-CE2 2.99Å; Y104-Y106 HydrophobicContact CE1-CE2 2.99Å; Y104-Y106 AromaticContact CE1-CG 3.67Å; Y104-Y106 HydrophobicContact CE1-CG 3.67Å; Y104-Y106 AromaticContact CE1-CZ 3.25Å; Y104-Y106 HydrophobicContact CG-CD2 4.29Å; Y104-Y106 HydrophobicContact CG-CE2 4.21Å; Y104-Y106 AromaticContact CZ-CE2 3.76Å; Y104-Y106 AromaticContact CZ-CZ 3.73Å; Y104-Y106 PolarHBondContact O-N 3.37Å; Y104-Y106 PolarHBondContact OH-OH 3.36Å; Y106-N108 PolarHBondContact O-N 3.22Å | ||
| 107 | T | 28.7 | Very low | 33.3 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 64% | 0.644 | 66% | 0.656 | S | S | * | * | trans | -81.6 | 105.2 | 166.9 | 52.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 108 | N | 27.3 | Very low | 32.9 | Very low | 134 Ų | 134 | 122.4 Ų | 122.4 | 72% | 0.717 | 66% | 0.656 | S | S | * | * | trans | -87.1 | 109.8 | 167.9 | -155.9 | -1.2 | 0 | 0 | 0 | 107.8 | Y106 S110 | Y106-N108 PolarHBondContact O-N 3.22Å; N108-S110 PolarHBondContact O-N 3.35Å | ||
| 109 | T | 33.8 | Very low | 32.6 | Very low | 141 Ų | 141 | 124.3 Ų | 124.3 | 87% | 0.865 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 26.8 | -170.5 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 110 | S | 35.3 | Very low | 32.6 | Very low | 85 Ų | 85 | 124.5 Ų | 124.5 | 59% | 0.594 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129 | -6.1 | -168 | -172.8 | 0 | 0 | 0 | 0 | 115.9 | N108 | N108-S110 PolarHBondContact O-N 3.35Š|
| 111 | N | 35.4 | Very low | 32.4 | Very low | 138 Ų | 138 | 127.9 Ų | 127.9 | 74% | 0.738 | 66% | 0.663 | S | S | * | * | trans | -157.4 | 135.4 | 171.1 | -85.9 | -37.2 | 0 | 0 | 0 | 108.3 | N113 | N111-N113 PolarHBondContact O-N 2.95Š| ||
| 112 | D | 35.3 | Very low | 32.1 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 72% | 0.722 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -64.1 | 23.1 | -179.1 | -80.7 | -41.3 | 0 | 0 | 0 | 114.9 | R162 | D112-R162 IonicContact OD1-NH2 2.79Å; D112-R162 IonicContact OD2-CZ 3.89Å; D112-R162 IonicContact OD2-NH1 3.3Å; D112-R162 IonicContact OD2-NH2 2.91Å; D112-R162 PolarHBondContact OD2-NH2 2.72Å |
| 113 | N | 33.3 | Very low | 31.6 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | trans | -114.1 | 101.5 | 177.5 | -74.8 | -9.6 | 0 | 0 | 0 | 110.1 | N111 I115 | N111-N113 PolarHBondContact O-N 2.95Å; N113-I115 PolarHBondContact O-N 3.15Å | ||
| 114 | M | 33.7 | Very low | 31.3 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 46% | 0.458 | 68% | 0.683 | S | S | . | * | trans | -76.3 | 104.6 | 168.9 | -70 | -70.9 | -72.3 | 0 | 0 | 109 | I105 Y116 | I105-M114 HydrophobicContact CG2-CE 3.46Å; I105-M114 VanDerWaalsContact CG2-CE 3.46Å; M114-Y116 PolarHBondContact O-N 3.23Å | ||
| 115 | I | 33.6 | Very low | 31.2 | Very low | 134 Ų | 134 | 135 Ų | 135 | 69% | 0.687 | 70% | 0.698 | S | S | * | * | trans | -79.7 | 112.5 | 172.1 | -58.6 | 174.9 | 0 | 0 | 0 | 107.8 | N113 | N113-I115 PolarHBondContact O-N 3.15Š| ||
| 116 | Y | 29.2 | Very low | 31.2 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | trans | -77.7 | 118.3 | 166.9 | -78.9 | -91.8 | 0 | 0 | 0 | 108.7 | M114 | M114-Y116 PolarHBondContact O-N 3.23Š| ||
| 117 | H | 31.3 | Very low | 31.2 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 69% | 0.694 | 72% | 0.716 | S | S | * | * | trans | -101.7 | 108.6 | 159.7 | -82.6 | -75.1 | 0 | 0 | 0 | 108.2 | ||||
| 118 | S | 29.2 | Very low | 31.5 | Very low | 89 Ų | 89 | 135.3 Ų | 135.3 | 62% | 0.622 | 72% | 0.724 | S | S | * | * | trans | -71.9 | 128.5 | 162.7 | 44.6 | 0 | 0 | 0 | 0 | 108.3 | T120 | S118-T120 PolarHBondContact O-N 3.21Š| ||
| 119 | N | 27.9 | Very low | 31.7 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -72.7 | 69.9 | 169.3 | -73 | -26.4 | 0 | 0 | 0 | 109.2 | L101 | L101-N119 PolarHBondContact O-ND2 2.91Š|
| 120 | T | 36.1 | Very low | 31.7 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 57% | 0.571 | 72% | 0.718 | S | S | * | * | trans | -137.7 | 106.3 | 165.6 | 50.2 | 0 | 0 | 0 | 0 | 106 | S118 Q122 | S118-T120 PolarHBondContact O-N 3.21Å; T120-Q122 PolarHBondContact O-N 3.25Å | ||
| 121 | H | 30.3 | Very low | 31.5 | Very low | 209 Ų | 209 | 138.2 Ų | 138.2 | 97% | 0.968 | 73% | 0.729 | S | S | * | * | trans | -63.5 | 82.1 | 164.5 | -82 | -87.6 | 0 | 0 | 0 | 108.4 | ||||
| 122 | Q | 28.9 | Very low | 31.5 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 73% | 0.729 | 73% | 0.726 | S | S | * | * | trans | -148.8 | 101.1 | 164.8 | -122.8 | 172.6 | -0.2 | 0 | 0 | 106.2 | T120 V124 | T120-Q122 PolarHBondContact O-N 3.25Å; Q122-V124 VanDerWaalsContact C-N 3.34Å; Q122-V124 HydrophobicContact CB-CG2 4.34Å; Q122-V124 PolarHBondContact O-N 3.38Å | ||
| 123 | E | 26.7 | Very low | 31.5 | Very low | 202 Ų | 202 | 138.6 Ų | 138.6 | 94% | 0.944 | 73% | 0.731 | S | S | * | * | trans | -57.8 | 101.3 | 163.6 | -75.8 | -174.9 | 144.4 | 0 | 0 | 107.6 | ||||
| 124 | V | 30 | Very low | 31.5 | Very low | 94 Ų | 94 | 139 Ų | 139 | 57% | 0.57 | 73% | 0.733 | S | S | * | * | trans | -122.6 | 98.8 | 166.6 | -179.1 | 0 | 0 | 0 | 0 | 106.5 | Q122 L126 | Q122-V124 VanDerWaalsContact C-N 3.34Å; Q122-V124 HydrophobicContact CB-CG2 4.34Å; Q122-V124 PolarHBondContact O-N 3.38Å; V124-L126 HydrophobicContact CG1-CD1 3.45Å; V124-L126 VanDerWaalsContact CG1-CD1 3.45Å; V124-L126 HydrophobicContact CG1-CG 3.72Å; V124-L126 PolarHBondContact O-N 3.41Å; V124-L126 VanDerWaalsContact O-N 3.09Å | ||
| 125 | L | 28 | Very low | 31.7 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 92% | 0.921 | 75% | 0.752 | S | S | * | * | trans | -64.6 | 99.6 | 167.8 | -75.1 | 165 | 0 | 0 | 0 | 108.5 | ||||
| 126 | L | 30.9 | Very low | 31.8 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | -127.1 | 105.6 | 168.4 | -77.6 | 164.3 | 0 | 0 | 0 | 109.2 | V124 | V124-L126 HydrophobicContact CG1-CD1 3.45Å; V124-L126 VanDerWaalsContact CG1-CD1 3.45Å; V124-L126 HydrophobicContact CG1-CG 3.72Å; V124-L126 PolarHBondContact O-N 3.41Å; V124-L126 VanDerWaalsContact O-N 3.09Å | ||
| 127 | S | 30.1 | Very low | 32.2 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | -59.5 | 147.6 | 172.9 | -54.2 | 0 | 0 | 0 | 0 | 111.4 | S129 | S127-S129 PolarHBondContact O-N 3.35Å; S127-S129 VanDerWaalsContact O-N 3.17Å | ||
| 128 | P | 34.6 | Very low | 32.8 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -70.1 | 112.1 | 174.8 | -10.5 | 25.6 | 0 | 0 | 0 | 110.5 | I130 | P128-I130 PolarHBondContact O-N 3.46Š| ||
| 129 | S | 31.5 | Very low | 33.2 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -68.8 | 113.6 | 163.6 | -87.7 | 0 | 0 | 0 | 0 | 109.4 | S127 H131 | S127-S129 PolarHBondContact O-N 3.35Å; S127-S129 VanDerWaalsContact O-N 3.17Å; S129-H131 PolarHBondContact O-N 3.41Å | ||
| 130 | I | 34.4 | Very low | 33.6 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | trans | -74.5 | 107.3 | 168 | -59.9 | 172.6 | 0 | 0 | 0 | 107.2 | P128 H132 | P128-I130 PolarHBondContact O-N 3.46Å; I130-H132 PolarHBondContact O-N 3.48Å; I130-H132 VanDerWaalsContact O-N 3.16Å | ||
| 131 | H | 32.2 | Very low | 33.7 | Very low | 176 Ų | 176 | 145.7 Ų | 145.7 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | trans | -71.8 | 102.2 | 166.2 | -94.9 | -80.9 | 0 | 0 | 0 | 109.1 | S129 | S129-H131 PolarHBondContact O-N 3.41Š| ||
| 132 | H | 33.4 | Very low | 33.9 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | -81.4 | 110.9 | 160.8 | -74 | -74.2 | 0 | 0 | 0 | 108.7 | I130 N134 | I130-H132 PolarHBondContact O-N 3.48Å; I130-H132 VanDerWaalsContact O-N 3.16Å; H132-N134 PolarHBondContact O-N 2.67Å | ||
| 133 | T | 36.2 | Very low | 34.3 | Very low | 133 Ų | 133 | 142.4 Ų | 142.4 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | -82 | 99.9 | 165.9 | 50.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 134 | N | 32.9 | Very low | 34.8 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | -83.3 | 114.4 | 164.4 | -71.2 | -26.3 | 0 | 0 | 0 | 107.8 | H132 | H132-N134 PolarHBondContact O-N 2.67Š| ||
| 135 | H | 38.3 | Very low | 35.1 | Very low | 184 Ų | 184 | 137.4 Ų | 137.4 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | trans | -98.6 | 107.1 | 164.8 | -138 | -66.7 | 0 | 0 | 0 | 107 | ||||
| 136 | S | 36.1 | Very low | 35.5 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | -109.3 | 118.9 | 173.5 | 46.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 137 | D | 38.2 | Very low | 35.9 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -161.1 | 102.6 | 158.1 | -85.8 | -35.4 | 0 | 0 | 0 | 106.2 | ||||
| 138 | L | 43.3 | Very low | 36.4 | Very low | 172 Ų | 172 | 133.9 Ų | 133.9 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | 72.1 | 117.9 | 99.1 | -75.9 | 169.3 | 0 | 0 | 0 | 114.4 | |||||
| 139 | G | 37.5 | Very low | 36.6 | Very low | 78 Ų | 78 | 134 Ų | 134 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 150.5 | 96.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 140 | D | 35.5 | Very low | 37 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -55.5 | 147.5 | 177.1 | -62.9 | -61.5 | 0 | 0 | 0 | 115.2 | ||||
| 141 | L | 39.7 | Very low | 37.2 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 88% | 0.88 | 78% | 0.776 | S | S | * | * | 173.2 | 128.4 | 111.9 | -87.9 | 165.2 | 0 | 0 | 0 | 111.7 | |||||
| 142 | S | 33.2 | Very low | 37.5 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | trans | -54.5 | 145.1 | 173.8 | 51.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 143 | F | 37.2 | Very low | 37.5 | Very low | 202 Ų | 202 | 129.1 Ų | 129.1 | 89% | 0.886 | 78% | 0.777 | S | S | * | * | -166.4 | 152.1 | 115.9 | -120.8 | -93.8 | 0 | 0 | 0 | 111.3 | |||||
| 144 | S | 36.9 | Very low | 37.7 | Very low | 85 Ų | 85 | 132.8 Ų | 132.8 | 59% | 0.594 | 78% | 0.782 | S | S | * | * | trans | -91.5 | 168.5 | -152.2 | 37.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 145 | S | 36.7 | Very low | 37.8 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 73.2 | 134.5 | 144.2 | 58.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 146 | S | 37.8 | Very low | 37.4 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | cis | -176.6 | 162.3 | 23.4 | 43.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 147 | L | 37.6 | Very low | 37.3 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | trans | 79.7 | 85.8 | 148.9 | -68.9 | 148 | 0 | 0 | 0 | 120.8 | ||||
| 148 | S | 40.4 | Very low | 37.1 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | 48 | 144 | 119.2 | -44.9 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 149 | P | 40.3 | Very low | 36.7 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | -113.7 | 162.9 | -163.2 | 40.1 | -26.3 | 0 | 0 | 0 | 115.2 | ||||
| 150 | S | 38.9 | Very low | 36.5 | Very low | 102 Ų | 102 | 144.3 Ų | 144.3 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | -161.8 | 143.6 | 154.3 | 91.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 151 | L | 39 | Very low | 36.7 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | 89.3 | 101.8 | 150.2 | -65.1 | 157.6 | 0 | 0 | 0 | 121 | ||||
| 152 | A | 38 | Very low | 36.5 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | 96.1 | 110.4 | 121.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 153 | S | 34.4 | Very low | 36.6 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | 66.6 | 99.7 | 138.5 | -77.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 154 | K | 39.5 | Very low | 36.5 | Very low | 211 Ų | 211 | 140.5 Ų | 140.5 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | -169.1 | 135.2 | 106.5 | -99.8 | 162.7 | -174.9 | 175.7 | 0 | 111.3 | |||||
| 155 | R | 34.9 | Very low | 36.8 | Very low | 240 Ų | 240 | 141.7 Ų | 141.7 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | -63.1 | 136.8 | -171.8 | -70.2 | 171.9 | 173.3 | 170.7 | -3.7 | 113.7 | ||||
| 156 | F | 29.9 | Very low | 36.8 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | 30 | 110.6 | 138.1 | -83.5 | -94.1 | 0 | 0 | 0 | 118.8 | ||||
| 157 | R | 35.6 | Very low | 36.9 | Very low | 245 Ų | 245 | 146.7 Ų | 146.7 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | -146.4 | 109.1 | 124.6 | -73.7 | -161.3 | -170.1 | -160 | 1.6 | 109.4 | S159 | R157-S159 PolarHBondContact O-N 3.42Å; R157-S159 VanDerWaalsContact O-N 3.11Å | |||
| 158 | N | 33.5 | Very low | 37.3 | Very low | 134 Ų | 134 | 144.8 Ų | 144.8 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | trans | -62.9 | 106.6 | 161.1 | -85.6 | -0.6 | 0 | 0 | 0 | 107.8 | L160 | N158-L160 HydrophobicContact CB-CD1 4.04Å; N158-L160 PolarHBondContact O-N 3.48Å | ||
| 159 | S | 34.3 | Very low | 37.4 | Very low | 99 Ų | 99 | 141 Ų | 141 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | trans | -78.8 | 78 | 166.7 | 55.7 | 0 | 0 | 0 | 0 | 108.8 | R157 T161 | R157-S159 PolarHBondContact O-N 3.42Å; R157-S159 VanDerWaalsContact O-N 3.11Å; S159-T161 PolarHBondContact O-N 3.15Å | ||
| 160 | L | 33.1 | Very low | 37.8 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -66.8 | 84.1 | 153.3 | -90 | 79.7 | 0 | 0 | 0 | 106.9 | N158 R162 | N158-L160 HydrophobicContact CB-CD1 4.04Å; N158-L160 PolarHBondContact O-N 3.48Å; L160-R162 PolarHBondContact O-N 3.32Å | ||
| 161 | T | 40.5 | Very low | 37.9 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | trans | -76.2 | 80.3 | 167 | 51.3 | 0 | 0 | 0 | 0 | 108.5 | S159 S163 | S159-T161 PolarHBondContact O-N 3.15Å; T161-S163 PolarHBondContact O-N 3.12Å | ||
| 162 | R | 34.8 | Very low | 37.9 | Very low | 180 Ų | 180 | 137 Ų | 137 | 68% | 0.679 | 72% | 0.721 | S | S | * | * | trans | 16.9 | 98.9 | 141.6 | -150.5 | 174 | -148.8 | -143.4 | 4.1 | 114.1 | D112 L160 T164 | D112-R162 IonicContact OD1-NH2 2.79Å; D112-R162 IonicContact OD2-CZ 3.89Å; D112-R162 IonicContact OD2-NH1 3.3Å; D112-R162 IonicContact OD2-NH2 2.91Å; D112-R162 PolarHBondContact OD2-NH2 2.72Å; L160-R162 PolarHBondContact O-N 3.32Å; R162-T164 PolarHBondContact O-N 2.89Å | ||
| 163 | S | 34.7 | Very low | 38 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | trans | -59.1 | 120.6 | 163 | 63.7 | 0 | 0 | 0 | 0 | 108.1 | T161 | T161-S163 PolarHBondContact O-N 3.12Š| ||
| 164 | T | 36.2 | Very low | 38.1 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 76% | 0.761 | 70% | 0.704 | S | S | * | * | trans | -60.7 | 133.9 | 172.6 | 40.5 | 0 | 0 | 0 | 0 | 109.4 | R162 N166 | R162-T164 PolarHBondContact O-N 2.89Å; T164-N166 PolarHBondContact O-N 3.29Å | ||
| 165 | P | 42.6 | Very low | 38.2 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 71% | 0.708 | 68% | 0.68 | S | S | * | * | trans | -64.9 | 112.2 | 173.9 | 25.1 | -30.3 | 0 | 0 | 0 | 108.3 | W167 | P165-W167 PolarHBondContact O-N 2.91Š| ||
| 166 | N | 37.5 | Very low | 38.5 | Very low | 140 Ų | 140 | 124.8 Ų | 124.8 | 75% | 0.749 | 66% | 0.657 | S | S | * | * | trans | -74 | 111.7 | 177.1 | -162.2 | 9.5 | 0 | 0 | 0 | 108.4 | T164 T168 | T164-N166 PolarHBondContact O-N 3.29Å; N166-T168 VanDerWaalsContact C-N 3.34Å; N166-T168 PolarHBondContact O-N 3.48Å | ||
| 167 | W | 40.1 | Very low | 38.9 | Very low | 169 Ų | 169 | 121.9 Ų | 121.9 | 64% | 0.64 | 65% | 0.65 | S | S | * | * | trans | -71.4 | 86.6 | 175.2 | -68.3 | 96.8 | 0 | 0 | 0 | 109.7 | P165 C169 S248 | P165-W167 PolarHBondContact O-N 2.91Å; W167-C169 PolarHBondContact O-N 3.12Å; W167-S248 VanDerWaalsContact O-CB 3.23Å; W167-S248 WeakPolarHBondContact O-CB 3.21Å; W167-S248 PolarHBondContact O-OG 3.4Å | ||
| 168 | T | 45.5 | Very low | 39.2 | Very low | 113 Ų | 113 | 114.3 Ų | 114.3 | 69% | 0.693 | 63% | 0.627 | S | S | * | * | trans | -84.2 | 114 | 170.9 | 46.3 | 0 | 0 | 0 | 0 | 109.9 | N166 L170 | N166-T168 VanDerWaalsContact C-N 3.34Å; N166-T168 PolarHBondContact O-N 3.48Å; T168-L170 PolarHBondContact O-N 3.09Å | ||
| 169 | C | 42.3 | Very low | 39.3 | Very low | 32 Ų | 32 | 111.1 Ų | 111.1 | 22% | 0.216 | 61% | 0.61 | C | S | . | * | trans | -65.6 | 128 | 172 | -153.3 | 0 | 0 | 0 | 0 | 110.4 | W167 C171 C251 | W167-C169 PolarHBondContact O-N 3.12Å; C169-C171 HydrophobicContact CB-CB 3.87Å; C169-C171 WeakPolarHBondContact CB-SG 3.48Å; C169-C171 PolarHBondContact O-N 3.38Å; C169-C171 WeakPolarHBondContact SG-CB 3.33Å; C169-C171 CovalentContact SG-SG 2.03Å; C169-C171 PolarHBondContact SG-SG 3.01Å; C169-C251 HydrophobicContact CB-CB 4.3Å; C169-C251 WeakPolarHBondContact SG-CB 3.44Å | ||
| 170 | L | 49.7 | Very low | 39.5 | Very low | 156 Ų | 156 | 113.6 Ų | 113.6 | 82% | 0.817 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -68.6 | 23.6 | 171.6 | -85 | 122 | 0 | 0 | 0 | 113.8 | T168 S172 | T168-L170 PolarHBondContact O-N 3.09Å; L170-S172 PolarHBondContact O-N 3.12Å |
| 171 | C | 39.4 | Very low | 39.5 | Very low | 38 Ų | 38 | 116.4 Ų | 116.4 | 26% | 0.257 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89 | 7.2 | -164.4 | -49 | 0 | 0 | 0 | 0 | 111.4 | C169 C251 | C169-C171 HydrophobicContact CB-CB 3.87Å; C169-C171 WeakPolarHBondContact CB-SG 3.48Å; C169-C171 PolarHBondContact O-N 3.38Å; C169-C171 WeakPolarHBondContact SG-CB 3.33Å; C169-C171 CovalentContact SG-SG 2.03Å; C169-C171 PolarHBondContact SG-SG 3.01Å; C171-C251 HydrophobicContact CB-CB 3.87Å; C171-C251 WeakPolarHBondContact CB-SG 3.37Å; C171-C251 VanDerWaalsContact SG-CB 3.5Å |
| 172 | S | 40 | Very low | 39.6 | Very low | 114 Ų | 114 | 116.5 Ų | 116.5 | 80% | 0.797 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -8.8 | 173 | -55.7 | 0 | 0 | 0 | 0 | 113.4 | L170 Q174 | L170-S172 PolarHBondContact O-N 3.12Å; S172-Q174 PolarHBondContact O-N 3.1Å |
| 173 | N | 40.6 | Very low | 39.9 | Very low | 122 Ų | 122 | 116.3 Ų | 116.3 | 65% | 0.652 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -77.3 | 110.2 | 164.7 | -73.2 | 0.7 | 0 | 0 | 0 | 107.3 | M175 | N173-M175 PolarHBondContact O-N 3.06Š|
| 174 | Q | 35.3 | Very low | 39.8 | Very low | 112 Ų | 112 | 115.8 Ų | 115.8 | 52% | 0.523 | 60% | 0.595 | S | S | . | * | trans | -42.3 | 108.4 | 173.9 | -147 | 179.3 | 67.7 | 0 | 0 | 107.8 | S172 N176 L233 | S172-Q174 PolarHBondContact O-N 3.1Å; Q174-N176 HydrophobicContact CG-CB 4.35Å; Q174-N176 WeakPolarHBondContact CG-ND2 3.19Å; Q174-N176 PolarHBondContact O-N 3.43Å; Q174-N176 PolarHBondContact OE1-ND2 3.38Å; Q174-L233 VanDerWaalsContact NE2-CD2 3.28Å | ||
| 175 | M | 41.7 | Very low | 40 | Very low | 81 Ų | 81 | 114.7 Ų | 114.7 | 40% | 0.399 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67 | 20.6 | -177.5 | -89.9 | -85.4 | 174 | 0 | 0 | 112.7 | N173 I178 N179 F255 | N173-M175 PolarHBondContact O-N 3.06Å; M175-I178 HydrophobicContact CE-CD1 3.8Å; M175-I178 HydrophobicContact SD-CB 4.23Å; M175-I178 HydrophobicContact SD-CD1 3.71Å; M175-I178 HydrophobicContact SD-CG1 4.48Å; M175-N179 PolarHBondContact O-ND2 3.44Å; M175-F255 HydrophobicContact CE-CE1 4.37Å; M175-F255 HydrophobicContact CE-CZ 4.4Å |
| 176 | N | 41.6 | Very low | 39.9 | Very low | 82 Ų | 82 | 116.1 Ų | 116.1 | 44% | 0.439 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.8 | -32.3 | 176.2 | -67.4 | -12.5 | 0 | 0 | 0 | 110.8 | Q174 N179 | Q174-N176 HydrophobicContact CG-CB 4.35Å; Q174-N176 WeakPolarHBondContact CG-ND2 3.19Å; Q174-N176 PolarHBondContact O-N 3.43Å; Q174-N176 PolarHBondContact OE1-ND2 3.38Å; N176-N179 PolarHBondContact O-N 3.46Å |
| 177 | D | 39 | Very low | 39.9 | Very low | 121 Ų | 121 | 117.2 Ų | 117.2 | 65% | 0.647 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -16.4 | -176.1 | -61.2 | -20.3 | 0 | 0 | 0 | 113.8 | N179 | D177-N179 VanDerWaalsContact C-N 3.29Š|
| 178 | I | 41.4 | Very low | 39.8 | Very low | 86 Ų | 86 | 116.1 Ų | 116.1 | 44% | 0.441 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.7 | -10.3 | 173.9 | -61.4 | 167.9 | 0 | 0 | 0 | 111.2 | M175 | M175-I178 HydrophobicContact CE-CD1 3.8Å; M175-I178 HydrophobicContact SD-CB 4.23Å; M175-I178 HydrophobicContact SD-CD1 3.71Å; M175-I178 HydrophobicContact SD-CG1 4.48Å |
| 179 | N | 36.1 | Very low | 39.3 | Very low | 68 Ų | 68 | 115.9 Ų | 115.9 | 36% | 0.364 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -93.4 | -8.2 | -179.7 | -72.1 | -29.5 | 0 | 0 | 0 | 114 | M175 N176 D177 R182 | M175-N179 PolarHBondContact O-ND2 3.44Å; N176-N179 PolarHBondContact O-N 3.46Å; D177-N179 VanDerWaalsContact C-N 3.29Å; N179-R182 PolarHBondContact O-N 2.83Å; N179-R182 PolarHBondContact OD1-NH1 2.99Å |
| 180 | E | 37.3 | Very low | 39.2 | Very low | 150 Ų | 150 | 119.7 Ų | 119.7 | 70% | 0.701 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -75.7 | -35.6 | 176.8 | -161 | 159.6 | -163.9 | 0 | 0 | 111.8 | ||
| 181 | Y | 34.2 | Very low | 38.7 | Very low | 209 Ų | 209 | 117.2 Ų | 117.2 | 82% | 0.82 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -6.3 | 172.1 | -86.9 | -89.8 | 0 | 0 | 0 | 114.7 | ||
| 182 | R | 42.5 | Very low | 38.9 | Very low | 130 Ų | 130 | 121.8 Ų | 121.8 | 49% | 0.491 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.9 | -5.9 | 174 | -78.4 | -172 | -169.9 | 143.6 | 3.3 | 114.2 | N179 | N179-R182 PolarHBondContact O-N 2.83Å; N179-R182 PolarHBondContact OD1-NH1 2.99Å |
| 183 | K | 39.8 | Very low | 38.8 | Very low | 176 Ų | 176 | 123.7 Ų | 123.7 | 77% | 0.765 | 60% | 0.602 | S | S | * | * | trans | -84.5 | -6.1 | 178.6 | -78.7 | -178.8 | -178.8 | 176.1 | 0 | 114.1 | P185 | K183-P185 WeakPolarHBondContact O-CD 3.45Š| ||
| 184 | T | 33.9 | Very low | 39 | Very low | 100 Ų | 100 | 126.1 Ų | 126.1 | 61% | 0.613 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -75 | 114.5 | 165.8 | 56.8 | 0 | 0 | 0 | 0 | 107.6 | I186 | T184-I186 PolarHBondContact O-N 3.38Å; T184-I186 VanDerWaalsContact O-N 3.15Å |
| 185 | P | 39.2 | Very low | 39.2 | Very low | 100 Ų | 100 | 124 Ų | 124 | 65% | 0.649 | 60% | 0.599 | S | S | * | * | trans | -51.9 | 131.4 | 162.5 | 22.8 | -30.4 | 0 | 0 | 0 | 105.8 | K183 K187 | K183-P185 WeakPolarHBondContact O-CD 3.45Å; P185-K187 PolarHBondContact O-N 3.35Å | ||
| 186 | I | 40.4 | Very low | 39 | Very low | 139 Ų | 139 | 127.6 Ų | 127.6 | 71% | 0.713 | 62% | 0.62 | S | S | * | * | trans | -58.4 | 96.5 | 168.2 | -55.8 | 172 | 0 | 0 | 0 | 104.4 | T184 F188 | T184-I186 PolarHBondContact O-N 3.38Å; T184-I186 VanDerWaalsContact O-N 3.15Å; I186-F188 HydrophobicContact CB-CD2 4.18Å; I186-F188 HydrophobicContact CG2-CD2 3.23Å; I186-F188 HydrophobicContact CG2-CE2 3.44Å; I186-F188 VanDerWaalsContact CG2-CE2 3.44Å; I186-F188 HydrophobicContact CG2-CG 4.06Å; I186-F188 HydrophobicContact CG2-CZ 4.39Å; I186-F188 PolarHBondContact O-N 2.97Å | ||
| 187 | K | 38.4 | Very low | 39.1 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 71% | 0.713 | 64% | 0.641 | S | S | * | * | trans | -70 | 77.8 | 168.3 | -83.3 | -176 | 177.3 | 175.7 | 0 | 104.5 | P185 N189 | P185-K187 PolarHBondContact O-N 3.35Å; K187-N189 PolarHBondContact O-N 3.1Å | ||
| 188 | F | 37.3 | Very low | 39.2 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 64% | 0.64 | 64% | 0.636 | S | S | * | * | trans | -65 | 87.2 | 156.7 | -93.8 | -72.9 | 0 | 0 | 0 | 105.7 | I186 I190 | I186-F188 HydrophobicContact CB-CD2 4.18Å; I186-F188 HydrophobicContact CG2-CD2 3.23Å; I186-F188 HydrophobicContact CG2-CE2 3.44Å; I186-F188 VanDerWaalsContact CG2-CE2 3.44Å; I186-F188 HydrophobicContact CG2-CG 4.06Å; I186-F188 HydrophobicContact CG2-CZ 4.39Å; I186-F188 PolarHBondContact O-N 2.97Å; F188-I190 HydrophobicContact CD1-CD1 4.49Å; F188-I190 PolarHBondContact O-N 3.17Å | ||
| 189 | N | 34.9 | Very low | 39.2 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 57% | 0.572 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 25.4 | 171 | -112.8 | 7.3 | 0 | 0 | 0 | 111.5 | K187 K192 | K187-N189 PolarHBondContact O-N 3.1Å; N189-K192 WeakPolarHBondContact OD1-CD 3.32Å; N189-K192 VanDerWaalsContact OD1-CE 3.28Å; N189-K192 WeakPolarHBondContact OD1-CE 3.47Å; N189-K192 PolarHBondContact OD1-NZ 3.31Å |
| 190 | I | 41.3 | Very low | 39.3 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 57% | 0.574 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | 2.7 | -176.8 | -61.2 | 178.1 | 0 | 0 | 0 | 112 | M90 F188 | M90-I190 HydrophobicContact CE-CD1 4Å; F188-I190 HydrophobicContact CD1-CD1 4.49Å; F188-I190 PolarHBondContact O-N 3.17Å |
| 191 | M | 39.3 | Very low | 39.3 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 52% | 0.517 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -134.3 | 16.4 | 179.1 | -106.3 | 157 | 61.5 | 0 | 0 | 115.3 | N193 F194 | M191-N193 PolarHBondContact O-N 3.38Å; M191-N193 VanDerWaalsContact O-N 3.16Å; M191-F194 PolarHBondContact O-N 3.42Å |
| 192 | K | 42.1 | Very low | 39.6 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 58% | 0.578 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -8.7 | 179.1 | -83.2 | -177.9 | 174.2 | 168.3 | 0 | 115.1 | N189 | N189-K192 WeakPolarHBondContact OD1-CD 3.32Å; N189-K192 VanDerWaalsContact OD1-CE 3.28Å; N189-K192 WeakPolarHBondContact OD1-CE 3.47Å; N189-K192 PolarHBondContact OD1-NZ 3.31Å |
| 193 | N | 39.4 | Very low | 39.4 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 82% | 0.824 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 6.3 | 178.8 | -71 | -3.3 | 0 | 0 | 0 | 114.6 | M191 | M191-N193 PolarHBondContact O-N 3.38Å; M191-N193 VanDerWaalsContact O-N 3.16Å |
| 194 | F | 44.6 | Very low | 39 | Very low | 174 Ų | 174 | 134 Ų | 134 | 76% | 0.763 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.4 | -0.8 | -177.3 | -73.3 | -73.3 | 0 | 0 | 0 | 115.9 | M191 | M191-F194 PolarHBondContact O-N 3.42Š|
| 195 | N | 39 | Very low | 39.2 | Very low | 66 Ų | 66 | 137.6 Ų | 137.6 | 35% | 0.353 | 69% | 0.692 | S | S | . | * | trans | -128.8 | 18.8 | -166.5 | -74.2 | -19.3 | 0 | 0 | 0 | 116.7 | E197 | N195-E197 PolarHBondContact O-N 3.29Å; N195-E197 VanDerWaalsContact O-N 3.09Å | ||
| 196 | N | 38.2 | Very low | 39.1 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 84% | 0.84 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 3.8 | 178.5 | -80.4 | -12.2 | 0 | 0 | 0 | 115.2 | ||
| 197 | E | 42.3 | Very low | 38.9 | Very low | 188 Ų | 188 | 139.1 Ų | 139.1 | 88% | 0.879 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | -0.5 | -174 | -141.5 | 174 | -179.1 | 0 | 0 | 114.4 | N195 | N195-E197 PolarHBondContact O-N 3.29Å; N195-E197 VanDerWaalsContact O-N 3.09Å |
| 198 | C | 42.3 | Very low | 38.8 | Very low | 81 Ų | 81 | 136 Ų | 136 | 55% | 0.547 | 70% | 0.699 | S | S | . | * | S | Bend | trans | -112.9 | -11.4 | -171.6 | -50.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 199 | D | 41.1 | Very low | 39 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 68% | 0.679 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 9.3 | -170.9 | -72.6 | -25.8 | 0 | 0 | 0 | 114.6 | ||
| 200 | N | 37.5 | Very low | 39.1 | Very low | 140 Ų | 140 | 144.5 Ų | 144.5 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | 5 | -179.5 | -76.6 | -44.8 | 0 | 0 | 0 | 115.7 | ||
| 201 | L | 38.3 | Very low | 38.8 | Very low | 165 Ų | 165 | 146 Ų | 146 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -116.9 | 9.1 | -173.8 | -146.5 | 70 | 0 | 0 | 0 | 116.2 | ||
| 202 | I | 39 | Very low | 38.9 | Very low | 157 Ų | 157 | 149.3 Ų | 149.3 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -115.8 | -1.8 | 177.4 | -58.4 | -176.2 | 0 | 0 | 0 | 112.8 | ||
| 203 | Q | 38.2 | Very low | 38.7 | Very low | 152 Ų | 152 | 153.5 Ų | 153.5 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -85.2 | -6 | 179.1 | -110.6 | 84.7 | -1.2 | 0 | 0 | 116.2 | ||
| 204 | N | 32.8 | Very low | 39.2 | Very low | 148 Ų | 148 | 152.6 Ų | 152.6 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | -131.1 | 76 | -172.1 | -69.1 | -35.8 | 0 | 0 | 0 | 112.6 | ||||
| 205 | K | 38.2 | Very low | 39.1 | Very low | 175 Ų | 175 | 152.1 Ų | 152.1 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | trans | -157.6 | 53.4 | 153 | -142.5 | 169.5 | -174.3 | 176 | 0 | 112.8 | D207 | K205-D207 PolarHBondContact O-N 2.81Š| ||
| 206 | V | 35.9 | Very low | 39 | Very low | 141 Ų | 141 | 154.8 Ų | 154.8 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | -89.3 | 70.3 | 154 | -177.6 | 0 | 0 | 0 | 0 | 106.1 | S208 | V206-S208 PolarHBondContact O-N 3.49Š| ||
| 207 | D | 36.7 | Very low | 39.5 | Very low | 130 Ų | 130 | 156.1 Ų | 156.1 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | -85.9 | 108.1 | 171.3 | -79.9 | -37.9 | 0 | 0 | 0 | 108.7 | K205 | K205-D207 PolarHBondContact O-N 2.81Š| ||
| 208 | S | 36 | Very low | 39.3 | Very low | 98 Ų | 98 | 155.4 Ų | 155.4 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | -48.3 | 153 | 164.1 | -50.5 | 0 | 0 | 0 | 0 | 111.9 | V206 | V206-S208 PolarHBondContact O-N 3.49Š| ||
| 209 | K | 43 | Very low | 39.3 | Very low | 199 Ų | 199 | 159.5 Ų | 159.5 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | 98.9 | 93.1 | 164.8 | -53.1 | 162.9 | -176.6 | 176.1 | 0 | 115.9 | ||||
| 210 | R | 35.9 | Very low | 38.9 | Very low | 232 Ų | 232 | 156.9 Ų | 156.9 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | -156.9 | 88.1 | 122.7 | -164.5 | 167.4 | -80.2 | -148.5 | -2.4 | 110.6 | H212 | R210-H212 PolarHBondContact O-N 3.48Š| |||
| 211 | I | 36.2 | Very low | 38.8 | Very low | 144 Ų | 144 | 155.7 Ų | 155.7 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | -66.6 | 117.7 | 165.1 | -63.8 | 165.7 | 0 | 0 | 0 | 107 | R213 | I211-R213 HydrophobicContact CG2-CG 4.31Š| ||
| 212 | H | 40.5 | Very low | 38.9 | Very low | 175 Ų | 175 | 154.9 Ų | 154.9 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -133.3 | 117.1 | 155.8 | -103.6 | -83.1 | 0 | 0 | 0 | 108.9 | R210 | R210-H212 PolarHBondContact O-N 3.48Š| ||
| 213 | R | 37.4 | Very low | 38.8 | Very low | 220 Ų | 220 | 154.8 Ų | 154.8 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | -77.5 | 131.7 | -177.5 | -64.2 | 168.4 | 171.1 | 150.3 | -4.3 | 109.8 | I211 | I211-R213 HydrophobicContact CG2-CG 4.31Š| ||
| 214 | T | 49.8 | Very low | 39.2 | Very low | 135 Ų | 135 | 154 Ų | 154 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | trans | -150.8 | 104 | 144.1 | 49.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 215 | H | 43.4 | Very low | 39.6 | Very low | 165 Ų | 165 | 153 Ų | 153 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | 36.2 | 125.1 | 143.3 | -86.6 | -80.9 | 0 | 0 | 0 | 122.9 | ||||
| 216 | D | 37.4 | Very low | 39.5 | Very low | 121 Ų | 121 | 153.3 Ų | 153.3 | 65% | 0.647 | 79% | 0.792 | S | S | * | * | trans | 78.7 | 96.2 | 136.3 | -53.1 | -23.4 | 0 | 0 | 0 | 120.6 | ||||
| 217 | H | 47.6 | Very low | 39.9 | Very low | 185 Ų | 185 | 151.5 Ų | 151.5 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | -171.1 | 130.8 | 101.1 | -101.3 | -68.3 | 0 | 0 | 0 | 111.7 | |||||
| 218 | H | 39.1 | Very low | 39.9 | Very low | 173 Ų | 173 | 150.1 Ų | 150.1 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | trans | -32.4 | 135.8 | 170.5 | -71 | -104.5 | 0 | 0 | 0 | 116.8 | ||||
| 219 | I | 40.8 | Very low | 40.2 | Very low | 168 Ų | 168 | 154.2 Ų | 154.2 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | 163.9 | 121.4 | 109.9 | -79.3 | 160.8 | 0 | 0 | 0 | 108.9 | |||||
| 220 | G | 32.8 | Very low | 40.4 | Very low | 71 Ų | 71 | 149.2 Ų | 149.2 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | 86.2 | 103.8 | 134.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 221 | S | 36.1 | Very low | 40.9 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | -41.1 | 136.7 | 158.9 | -63 | 0 | 0 | 0 | 0 | 114 | ||||
| 222 | N | 39.6 | Very low | 41.3 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | -172.5 | 104.8 | 119.3 | -99.3 | -15.6 | 0 | 0 | 0 | 109.7 | N224 | N222-N224 PolarHBondContact O-N 3.34Š| |||
| 223 | D | 38.2 | Very low | 41.3 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | trans | -61.3 | 120.4 | 153.5 | -63.5 | -46.6 | 0 | 0 | 0 | 107.2 | ||||
| 224 | N | 45.2 | Very low | 41.4 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -179.6 | 146.9 | 154.4 | -87.2 | -34.4 | 0 | 0 | 0 | 109.5 | N222 | N222-N224 PolarHBondContact O-N 3.34Š| ||
| 225 | N | 42 | Very low | 40.8 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | trans | 102.3 | 64.7 | 155.7 | -54.5 | -26.9 | 0 | 0 | 0 | 118.3 | V227 | N225-V227 HydrophobicContact CB-CG2 3.51Å; N225-V227 PolarHBondContact O-N 3.05Å; N225-V227 VanDerWaalsContact O-N 3.1Å; N225-V227 WeakPolarHBondContact OD1-CG2 3.47Å | ||
| 226 | L | 36.7 | Very low | 40.8 | Very low | 182 Ų | 182 | 133.1 Ų | 133.1 | 95% | 0.953 | 75% | 0.754 | S | S | * | * | -46.8 | 87.7 | 113.7 | -105.5 | 155.1 | 0 | 0 | 0 | 109.8 | |||||
| 227 | V | 43.9 | Very low | 41 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 62% | 0.618 | 77% | 0.767 | S | S | * | * | trans | -169.5 | 135.6 | 157.1 | -100.3 | 0 | 0 | 0 | 0 | 111.3 | N225 | N225-V227 HydrophobicContact CB-CG2 3.51Å; N225-V227 PolarHBondContact O-N 3.05Å; N225-V227 VanDerWaalsContact O-N 3.1Å; N225-V227 WeakPolarHBondContact OD1-CG2 3.47Å | ||
| 228 | N | 36.7 | Very low | 41 | Very low | 101 Ų | 101 | 130 Ų | 130 | 54% | 0.54 | 76% | 0.762 | S | S | . | * | trans | 64.4 | 83.4 | 152.7 | -88.5 | -30.3 | 0 | 0 | 0 | 119.4 | S230 | N228-S230 PolarHBondContact O-N 3.36Å; N228-S230 VanDerWaalsContact O-N 3.17Å; N228-S230 WeakPolarHBondContact OD1-CB 3.49Å; N228-S230 PolarHBondContact OD1-OG 2.95Å | ||
| 229 | L | 43.1 | Very low | 41.3 | Very low | 184 Ų | 184 | 127.8 Ų | 127.8 | 96% | 0.963 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 1 | 148.3 | -91.6 | 151.2 | 0 | 0 | 0 | 113.2 | ||
| 230 | S | 46.1 | Very low | 41.6 | Very low | 94 Ų | 94 | 124.5 Ų | 124.5 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -4.9 | -171.6 | -16.4 | 0 | 0 | 0 | 0 | 114.8 | N228 | N228-S230 PolarHBondContact O-N 3.36Å; N228-S230 VanDerWaalsContact O-N 3.17Å; N228-S230 WeakPolarHBondContact OD1-CB 3.49Å; N228-S230 PolarHBondContact OD1-OG 2.95Å |
| 231 | S | 46.7 | Very low | 42.5 | Very low | 78 Ų | 78 | 127.7 Ų | 127.7 | 55% | 0.545 | 76% | 0.764 | S | S | . | * | trans | -123.7 | 13.8 | -167.5 | 60.2 | 0 | 0 | 0 | 0 | 116.6 | L233 | S231-L233 PolarHBondContact O-N 2.68Š| ||
| 232 | L | 44.4 | Very low | 42.9 | Very low | 166 Ų | 166 | 127.5 Ų | 127.5 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | trans | -88.7 | 21.4 | 175.6 | -69.2 | 176.6 | 0 | 0 | 0 | 114.1 | ||||
| 233 | L | 41.3 | Very low | 43.6 | Very low | 99 Ų | 99 | 125.1 Ų | 125.1 | 52% | 0.518 | 76% | 0.758 | S | S | . | * | S | Bend | trans | -98.9 | 127 | 165.5 | -77 | 168.4 | 0 | 0 | 0 | 109.1 | Q174 S231 | Q174-L233 VanDerWaalsContact NE2-CD2 3.28Å; S231-L233 PolarHBondContact O-N 2.68Å |
| 234 | L | 39.4 | Very low | 44.5 | Very low | 166 Ų | 166 | 123.3 Ų | 123.3 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 90.6 | 132.2 | 172.2 | -119.4 | 70.3 | 0 | 0 | 0 | 117.2 | ||
| 235 | S | 35.4 | Very low | 45.1 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | 85.3 | 116.1 | -174.5 | -31.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 236 | S | 44.5 | Very low | 45.9 | Very low | 111 Ų | 111 | 119 Ų | 119 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | cis | -158.1 | 138.3 | 37.3 | -60.6 | 0 | 0 | 0 | 0 | 112.2 | S238 | S236-S238 PolarHBondContact O-N 3.17Š| ||
| 237 | S | 41.7 | Very low | 47.2 | Very low | 132 Ų | 132 | 114.8 Ų | 114.8 | 92% | 0.923 | 73% | 0.726 | S | S | * | * | trans | -59.5 | 120.7 | 169.5 | -28.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 238 | S | 47.9 | Very low | 48.2 | Very low | 108 Ų | 108 | 111.1 Ų | 111.1 | 76% | 0.755 | 71% | 0.706 | S | S | * | * | trans | -141.4 | 105.5 | 157.7 | 59.8 | 0 | 0 | 0 | 0 | 108.9 | S236 S240 | S236-S238 PolarHBondContact O-N 3.17Å; S238-S240 PolarHBondContact O-N 2.96Å | ||
| 239 | S | 44.2 | Very low | 49.7 | Very low | 128 Ų | 128 | 114.2 Ų | 114.2 | 90% | 0.895 | 71% | 0.714 | S | S | * | * | trans | -58.1 | 113.8 | 172.2 | 46.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 240 | S | 48.6 | Very low | 51 | Low | 98 Ų | 98 | 110 Ų | 110 | 69% | 0.685 | 69% | 0.69 | S | S | * | * | trans | -151.9 | 101.7 | 155.3 | 58.3 | 0 | 0 | 0 | 0 | 109.5 | S238 | S238-S240 PolarHBondContact O-N 2.96Š| ||
| 241 | T | 49.9 | Very low | 52.3 | Low | 138 Ų | 138 | 107.1 Ų | 107.1 | 85% | 0.847 | 67% | 0.669 | S | S | * | * | trans | 34.9 | 102.8 | 150.3 | 57.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 242 | S | 45.3 | Very low | 53.7 | Low | 113 Ų | 113 | 105.6 Ų | 105.6 | 79% | 0.79 | 66% | 0.661 | S | S | * | * | trans | -50.4 | 126 | 174.8 | 49 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 243 | S | 53.9 | Low | 55.4 | Low | 98 Ų | 98 | 103.9 Ų | 103.9 | 69% | 0.685 | 64% | 0.643 | S | S | * | * | trans | -128.5 | 102.9 | 153.8 | -74.5 | 0 | 0 | 0 | 0 | 108.5 | S245 | S243-S245 VanDerWaalsContact C-N 3.3Å; S243-S245 PolarHBondContact O-N 3.21Å | ||
| 244 | P | 57.8 | Low | 57.4 | Low | 117 Ų | 117 | 101.9 Ų | 101.9 | 76% | 0.76 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 8.4 | -166.7 | -14.2 | 29.5 | 0 | 0 | 0 | 116.8 | ||
| 245 | S | 57.6 | Low | 59.6 | Low | 90 Ų | 90 | 98 Ų | 98 | 63% | 0.629 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -10.1 | -165.5 | 56 | 0 | 0 | 0 | 0 | 115.9 | S243 | S243-S245 VanDerWaalsContact C-N 3.3Å; S243-S245 PolarHBondContact O-N 3.21Å |
| 246 | S | 59.6 | Low | 61.9 | Low | 82 Ų | 82 | 97.4 Ų | 97.4 | 57% | 0.573 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -90 | -19.7 | -172.4 | 58.8 | 0 | 0 | 0 | 0 | 115.1 | S248 | S246-S248 PolarHBondContact O-N 3.44Š|
| 247 | T | 62.3 | Low | 64.1 | Low | 92 Ų | 92 | 99.2 Ų | 99.2 | 56% | 0.564 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73.3 | -28.8 | -172.9 | 59.4 | 0 | 0 | 0 | 0 | 113.4 | C251 | T247-C251 PolarHBondContact O-N 2.86Å |
| 248 | S | 65.2 | Low | 66.5 | Low | 26 Ų | 26 | 96 Ų | 96 | 18% | 0.182 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -70.8 | -42.8 | -178.5 | -167.4 | 0 | 0 | 0 | 0 | 112.6 | W167 S246 A252 | W167-S248 VanDerWaalsContact O-CB 3.23Å; W167-S248 WeakPolarHBondContact O-CB 3.21Å; W167-S248 PolarHBondContact O-OG 3.4Å; S246-S248 PolarHBondContact O-N 3.44Å; S248-A252 WeakPolarHBondContact O-CB 3.38Å; S248-A252 PolarHBondContact O-N 2.89Å; S248-A252 VanDerWaalsContact O-N 3.07Å |
| 249 | F | 69 | Low | 68.4 | Low | 165 Ų | 165 | 98.9 Ų | 98.9 | 72% | 0.724 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.2 | -40.6 | 178.1 | -72.2 | -76.8 | 0 | 0 | 0 | 112.6 | A252 R253 | F249-A252 PolarHBondContact O-N 2.88Å; F249-R253 WeakPolarHBondContact O-CB 3.46Å; F249-R253 PolarHBondContact O-N 3.15Å |
| 250 | E | 70.2 | Confident | 70.9 | Confident | 97 Ų | 97 | 96.7 Ų | 96.7 | 45% | 0.453 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.3 | -37.5 | -176.7 | -164.3 | 57.9 | -154.2 | 0 | 0 | 111.9 | R253 S254 | E250-R253 WeakPolarHBondContact O-CB 3.49Å; E250-R253 PolarHBondContact O-N 2.95Å; E250-S254 PolarHBondContact O-N 2.84Å |
| 251 | C | 73.3 | Confident | 73.1 | Confident | 32 Ų | 32 | 94.6 Ų | 94.6 | 22% | 0.216 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -70.8 | -40.5 | 174.7 | -73.7 | 0 | 0 | 0 | 0 | 112.6 | C169 C171 T247 R253 S254 F255 | C169-C251 HydrophobicContact CB-CB 4.3Å; C169-C251 WeakPolarHBondContact SG-CB 3.44Å; C171-C251 HydrophobicContact CB-CB 3.87Å; C171-C251 WeakPolarHBondContact CB-SG 3.37Å; C171-C251 VanDerWaalsContact SG-CB 3.5Å; T247-C251 PolarHBondContact O-N 2.86Å; C251-R253 PolarHBondContact O-N 3.38Å; C251-S254 WeakPolarHBondContact O-CA 3.47Å; C251-S254 WeakPolarHBondContact O-CB 3.33Å; C251-S254 PolarHBondContact O-N 2.92Å; C251-S254 PolarHBondContact O-OG 2.91Å; C251-F255 HydrophobicContact CB-CE2 4.46Å; C251-F255 WeakPolarHBondContact O-CD2 3.42Å; C251-F255 PolarHBondContact O-N 3.11Å |
| 252 | A | 76.7 | Confident | 75.3 | Confident | 46 Ų | 46 | 93.5 Ų | 93.5 | 38% | 0.38 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -55.9 | -42.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S248 F249 S254 F255 I256 | S248-A252 WeakPolarHBondContact O-CB 3.38Å; S248-A252 PolarHBondContact O-N 2.89Å; S248-A252 VanDerWaalsContact O-N 3.07Å; F249-A252 PolarHBondContact O-N 2.88Å; A252-S254 VanDerWaalsContact C-N 3.34Å; A252-S254 PolarHBondContact O-N 3.3Å; A252-F255 PolarHBondContact O-N 3.49Å; A252-I256 WeakPolarHBondContact O-CG1 3.33Å; A252-I256 PolarHBondContact O-N 3.16Å |
| 253 | R | 79.7 | Confident | 77.7 | Confident | 131 Ų | 131 | 92 Ų | 92 | 49% | 0.494 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.2 | -41 | 173.8 | -165.6 | 177.8 | -145.9 | 165.4 | 7.8 | 112.2 | F249 E250 C251 I256 R257 | F249-R253 WeakPolarHBondContact O-CB 3.46Å; F249-R253 PolarHBondContact O-N 3.15Å; E250-R253 WeakPolarHBondContact O-CB 3.49Å; E250-R253 PolarHBondContact O-N 2.95Å; C251-R253 PolarHBondContact O-N 3.38Å; R253-I256 PolarHBondContact O-N 3.41Å; R253-R257 VanDerWaalsContact O-CG 3.32Å; R253-R257 WeakPolarHBondContact O-CG 3.39Å; R253-R257 PolarHBondContact O-N 3.32Å |
| 254 | S | 82.5 | Confident | 79.8 | Confident | 57 Ų | 57 | 96.6 Ų | 96.6 | 40% | 0.399 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 176.1 | 84 | 0 | 0 | 0 | 0 | 112.4 | E250 C251 A252 R257 L258 | E250-S254 PolarHBondContact O-N 2.84Å; C251-S254 WeakPolarHBondContact O-CA 3.47Å; C251-S254 WeakPolarHBondContact O-CB 3.33Å; C251-S254 PolarHBondContact O-N 2.92Å; C251-S254 PolarHBondContact O-OG 2.91Å; A252-S254 VanDerWaalsContact C-N 3.34Å; A252-S254 PolarHBondContact O-N 3.3Å; S254-R257 PolarHBondContact O-N 3.04Å; S254-L258 PolarHBondContact O-N 3.37Å |
| 255 | F | 85.6 | Confident | 81.7 | Confident | 85 Ų | 85 | 95.5 Ų | 95.5 | 37% | 0.373 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 176.8 | -73.6 | -67.6 | 0 | 0 | 0 | 112.3 | M175 C251 A252 L258 R259 | M175-F255 HydrophobicContact CE-CE1 4.37Å; M175-F255 HydrophobicContact CE-CZ 4.4Å; C251-F255 HydrophobicContact CB-CE2 4.46Å; C251-F255 WeakPolarHBondContact O-CD2 3.42Å; C251-F255 PolarHBondContact O-N 3.11Å; A252-F255 PolarHBondContact O-N 3.49Å; F255-L258 PolarHBondContact O-N 3.39Å; F255-R259 WeakPolarHBondContact O-CB 3.44Å; F255-R259 PolarHBondContact O-N 2.79Å |
| 256 | I | 84.1 | Confident | 83.6 | Confident | 100 Ų | 100 | 97.6 Ų | 97.6 | 51% | 0.513 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 175.8 | -66.1 | 164.8 | 0 | 0 | 0 | 110.2 | A252 R253 L258 R259 N260 | A252-I256 WeakPolarHBondContact O-CG1 3.33Å; A252-I256 PolarHBondContact O-N 3.16Å; R253-I256 PolarHBondContact O-N 3.41Å; I256-L258 VanDerWaalsContact C-N 3.33Å; I256-L258 PolarHBondContact O-N 3.5Å; I256-R259 PolarHBondContact O-N 3.3Å; I256-N260 WeakPolarHBondContact O-CB 3.42Å; I256-N260 VanDerWaalsContact O-CG 3.22Å; I256-N260 PolarHBondContact O-N 3.15Å; I256-N260 PolarHBondContact O-OD1 3.45Å |
| 257 | R | 91.6 | Very high | 85.4 | Confident | 148 Ų | 148 | 96 Ų | 96 | 56% | 0.558 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -58.5 | -44.8 | 175.5 | -72.9 | 175.1 | -177.1 | 178.2 | 5.5 | 111.6 | R253 S254 N260 A261 | R253-R257 VanDerWaalsContact O-CG 3.32Å; R253-R257 WeakPolarHBondContact O-CG 3.39Å; R253-R257 PolarHBondContact O-N 3.32Å; S254-R257 PolarHBondContact O-N 3.04Å; R257-N260 PolarHBondContact O-N 2.95Å; R257-A261 WeakPolarHBondContact O-CB 3.39Å; R257-A261 PolarHBondContact O-N 2.95Å |
| 258 | L | 90.3 | Very high | 87.1 | Confident | 66 Ų | 66 | 99 Ų | 99 | 35% | 0.346 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.2 | -40.4 | 178.5 | -174.3 | 62.6 | 0 | 0 | 0 | 112.2 | S254 F255 I256 A261 R262 | S254-L258 PolarHBondContact O-N 3.37Å; F255-L258 PolarHBondContact O-N 3.39Å; I256-L258 VanDerWaalsContact C-N 3.33Å; I256-L258 PolarHBondContact O-N 3.5Å; L258-A261 PolarHBondContact O-N 3.22Å; L258-R262 WeakPolarHBondContact O-CG 3.44Å; L258-R262 PolarHBondContact O-N 3.48Å |
| 259 | R | 89.6 | Confident | 88.5 | Confident | 168 Ų | 168 | 101.5 Ų | 101.5 | 63% | 0.634 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.6 | -46.9 | 173.3 | -178.4 | -175.5 | 175.7 | 174.3 | 0.1 | 111.3 | F255 I256 A261 R262 E263 | F255-R259 WeakPolarHBondContact O-CB 3.44Å; F255-R259 PolarHBondContact O-N 2.79Å; I256-R259 PolarHBondContact O-N 3.3Å; R259-A261 VanDerWaalsContact C-N 3.34Å; R259-A261 PolarHBondContact O-N 2.67Å; R259-R262 PolarHBondContact O-N 3.37Å; R259-E263 PolarHBondContact O-N 2.79Å |
| 260 | N | 96.9 | Very high | 89.9 | Confident | 82 Ų | 82 | 96.4 Ų | 96.4 | 44% | 0.439 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.8 | -37.7 | -180 | -69.3 | -7.4 | 0 | 0 | 0 | 111.8 | I256 R257 E263 R264 | I256-N260 WeakPolarHBondContact O-CB 3.42Å; I256-N260 VanDerWaalsContact O-CG 3.22Å; I256-N260 PolarHBondContact O-N 3.15Å; I256-N260 PolarHBondContact O-OD1 3.45Å; R257-N260 PolarHBondContact O-N 2.95Å; N260-E263 PolarHBondContact O-N 2.81Å; N260-R264 WeakPolarHBondContact O-CG 3.41Å; N260-R264 PolarHBondContact O-N 2.73Å |
| 261 | A | 93.3 | Very high | 91.2 | Very high | 53 Ų | 53 | 94.8 Ų | 94.8 | 44% | 0.438 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R257 L258 R259 E263 R264 E265 | R257-A261 WeakPolarHBondContact O-CB 3.39Å; R257-A261 PolarHBondContact O-N 2.95Å; L258-A261 PolarHBondContact O-N 3.22Å; R259-A261 VanDerWaalsContact C-N 3.34Å; R259-A261 PolarHBondContact O-N 2.67Å; A261-E263 PolarHBondContact O-N 3.44Å; A261-R264 PolarHBondContact O-N 3.26Å; A261-E265 PolarHBondContact O-N 2.88Å; A261-E265 VanDerWaalsContact O-N 3.15Å |
| 262 | R | 96.1 | Very high | 92.3 | Very high | 115 Ų | 115 | 96 Ų | 96 | 43% | 0.434 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 174.4 | -72.9 | -174.3 | -69.6 | -121.4 | 1.5 | 112.4 | L258 R259 R264 E265 R266 | L258-R262 WeakPolarHBondContact O-CG 3.44Å; L258-R262 PolarHBondContact O-N 3.48Å; R259-R262 PolarHBondContact O-N 3.37Å; R262-R264 VanDerWaalsContact C-N 3.35Å; R262-R264 PolarHBondContact O-N 3.37Å; R262-E265 PolarHBondContact O-N 2.96Å; R262-R266 PolarHBondContact O-N 3.29Å |
| 263 | E | 96.8 | Very high | 93.3 | Very high | 83 Ų | 83 | 95.9 Ų | 95.9 | 39% | 0.388 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 179.4 | 179.3 | 56.1 | -165.6 | 0 | 0 | 112.2 | R259 N260 A261 E265 R266 V267 | R259-E263 PolarHBondContact O-N 2.79Å; N260-E263 PolarHBondContact O-N 2.81Å; A261-E263 PolarHBondContact O-N 3.44Å; E263-E265 VanDerWaalsContact C-N 3.32Å; E263-E265 PolarHBondContact O-N 2.87Å; E263-R266 PolarHBondContact O-N 3.43Å; E263-R266 IonicContact OE1-CZ 3.87Å; E263-R266 IonicContact OE1-NE 3.97Å; E263-R266 PolarHBondContact OE1-NE 3.48Å; E263-R266 IonicContact OE1-NH2 3.87Å; E263-R266 PolarHBondContact OE1-NH2 3.15Å; E263-R266 IonicContact OE2-CZ 3.7Å; E263-R266 IonicContact OE2-NE 3.35Å; E263-R266 PolarHBondContact OE2-NE 3.27Å; E263-R266 IonicContact OE2-NH2 2.67Å; E263-V267 WeakPolarHBondContact O-CB 3.5Å; E263-V267 VanDerWaalsContact O-CG2 3.31Å; E263-V267 WeakPolarHBondContact O-CG2 3.41Å; E263-V267 PolarHBondContact O-N 2.96Å; E263-V267 WeakPolarHBondContact OE1-CG2 3.3Å |
| 264 | R | 98 | Very high | 94.1 | Very high | 193 Ų | 193 | 92.2 Ų | 92.2 | 73% | 0.728 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -59.5 | -43.4 | 172.3 | -74.4 | 174.8 | -175.1 | 172.1 | 0.8 | 111.8 | N260 A261 R262 V267 R268 | N260-R264 WeakPolarHBondContact O-CG 3.41Å; N260-R264 PolarHBondContact O-N 2.73Å; A261-R264 PolarHBondContact O-N 3.26Å; R262-R264 VanDerWaalsContact C-N 3.35Å; R262-R264 PolarHBondContact O-N 3.37Å; R264-V267 PolarHBondContact O-N 3.43Å; R264-R268 WeakPolarHBondContact O-CB 3.49Å; R264-R268 PolarHBondContact O-N 3.37Å |
| 265 | E | 97.2 | Very high | 94.6 | Very high | 95 Ų | 95 | 94.1 Ų | 94.1 | 44% | 0.444 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.4 | -41.4 | 178.8 | -174.4 | 55 | -156.9 | 0 | 0 | 112.1 | A261 R262 E263 V267 R268 C269 | A261-E265 PolarHBondContact O-N 2.88Å; A261-E265 VanDerWaalsContact O-N 3.15Å; R262-E265 PolarHBondContact O-N 2.96Å; E263-E265 VanDerWaalsContact C-N 3.32Å; E263-E265 PolarHBondContact O-N 2.87Å; E265-V267 VanDerWaalsContact C-N 3.35Å; E265-V267 PolarHBondContact O-N 2.91Å; E265-R268 WeakPolarHBondContact O-CB 3.43Å; E265-R268 PolarHBondContact O-N 3.49Å; E265-R268 IonicContact OE1-CZ 3.34Å; E265-R268 IonicContact OE1-NE 3.12Å; E265-R268 PolarHBondContact OE1-NE 3.41Å; E265-R268 VanDerWaalsContact OE1-NE 3.12Å; E265-R268 IonicContact OE1-NH2 2.72Å; E265-R268 PolarHBondContact OE1-NH2 3.49Å; E265-R268 IonicContact OE2-CZ 3.8Å; E265-R268 IonicContact OE2-NE 2.89Å; E265-R268 PolarHBondContact OE2-NE 3.37Å; E265-R268 IonicContact OE2-NH2 3.84Å; E265-C269 PolarHBondContact O-N 3.25Å |
| 266 | R | 98.1 | Very high | 95 | Very high | 133 Ų | 133 | 92 Ų | 92 | 50% | 0.502 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -57.9 | -47.5 | 173.2 | -168.6 | -162.1 | 68.4 | 75.2 | -0 | 111.3 | R262 E263 R268 C269 V270 | R262-R266 PolarHBondContact O-N 3.29Å; E263-R266 PolarHBondContact O-N 3.43Å; E263-R266 IonicContact OE1-CZ 3.87Å; E263-R266 IonicContact OE1-NE 3.97Å; E263-R266 PolarHBondContact OE1-NE 3.48Å; E263-R266 IonicContact OE1-NH2 3.87Å; E263-R266 PolarHBondContact OE1-NH2 3.15Å; E263-R266 IonicContact OE2-CZ 3.7Å; E263-R266 IonicContact OE2-NE 3.35Å; E263-R266 PolarHBondContact OE2-NE 3.27Å; E263-R266 IonicContact OE2-NH2 2.67Å; R266-R268 VanDerWaalsContact C-N 3.34Å; R266-C269 WeakPolarHBondContact O-CB 3.49Å; R266-C269 PolarHBondContact O-N 3.05Å; R266-V270 WeakPolarHBondContact O-CG2 3.44Å; R266-V270 PolarHBondContact O-N 3.29Å |
| 267 | V | 97.2 | Very high | 95.5 | Very high | 49 Ų | 49 | 90 Ų | 90 | 30% | 0.297 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 177.6 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | E263 R264 E265 V270 N271 | E263-V267 WeakPolarHBondContact O-CB 3.5Å; E263-V267 VanDerWaalsContact O-CG2 3.31Å; E263-V267 WeakPolarHBondContact O-CG2 3.41Å; E263-V267 PolarHBondContact O-N 2.96Å; E263-V267 WeakPolarHBondContact OE1-CG2 3.3Å; R264-V267 PolarHBondContact O-N 3.43Å; E265-V267 VanDerWaalsContact C-N 3.35Å; E265-V267 PolarHBondContact O-N 2.91Å; V267-V270 PolarHBondContact O-N 2.03Å; V267-N271 WeakPolarHBondContact O-CB 3.49Å; V267-N271 VanDerWaalsContact O-CG 3.28Å; V267-N271 PolarHBondContact O-N 2.95Å |
| 268 | R | 97.6 | Very high | 95.6 | Very high | 154 Ų | 154 | 85.1 Ų | 85.1 | 58% | 0.581 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.4 | -47.3 | 174.6 | -168 | -174.3 | 76.2 | 88.2 | 2.1 | 111.1 | R264 E265 R266 V270 N271 A272 | R264-R268 WeakPolarHBondContact O-CB 3.49Å; R264-R268 PolarHBondContact O-N 3.37Å; E265-R268 WeakPolarHBondContact O-CB 3.43Å; E265-R268 PolarHBondContact O-N 3.49Å; E265-R268 IonicContact OE1-CZ 3.34Å; E265-R268 IonicContact OE1-NE 3.12Å; E265-R268 PolarHBondContact OE1-NE 3.41Å; E265-R268 VanDerWaalsContact OE1-NE 3.12Å; E265-R268 IonicContact OE1-NH2 2.72Å; E265-R268 PolarHBondContact OE1-NH2 3.49Å; E265-R268 IonicContact OE2-CZ 3.8Å; E265-R268 IonicContact OE2-NE 2.89Å; E265-R268 PolarHBondContact OE2-NE 3.37Å; E265-R268 IonicContact OE2-NH2 3.84Å; R266-R268 VanDerWaalsContact C-N 3.34Å; R268-V270 PolarHBondContact O-N 2.9Å; R268-N271 PolarHBondContact O-N 2.95Å; R268-A272 PolarHBondContact O-N 2.95Å |
| 269 | C | 95.8 | Very high | 95.7 | Very high | 80 Ų | 80 | 90.1 Ų | 90.1 | 54% | 0.541 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 175.9 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | E265 R266 A272 G273 | E265-C269 PolarHBondContact O-N 3.25Å; R266-C269 WeakPolarHBondContact O-CB 3.49Å; R266-C269 PolarHBondContact O-N 3.05Å; C269-A272 PolarHBondContact O-N 3.03Å; C269-G273 PolarHBondContact O-N 3.45Å; C269-G273 VanDerWaalsContact O-N 3.09Å |
| 270 | V | 97.2 | Very high | 95.8 | Very high | 58 Ų | 58 | 87.4 Ų | 87.4 | 35% | 0.352 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 177.3 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | R266 V267 R268 G273 Y274 | R266-V270 WeakPolarHBondContact O-CG2 3.44Å; R266-V270 PolarHBondContact O-N 3.29Å; V267-V270 PolarHBondContact O-N 2.03Å; R268-V270 PolarHBondContact O-N 2.9Å; V270-G273 WeakPolarHBondContact O-CA 3.48Å; V270-G273 PolarHBondContact O-N 2.9Å; V270-G273 VanDerWaalsContact O-N 3.12Å; V270-Y274 HydrophobicContact CG1-CD2 3.93Å; V270-Y274 HydrophobicContact CG1-CE2 3.68Å; V270-Y274 WeakPolarHBondContact O-CD2 3.43Å; V270-Y274 PolarHBondContact O-N 2.82Å |
| 271 | N | 97.8 | Very high | 95.6 | Very high | 63 Ų | 63 | 84.2 Ų | 84.2 | 34% | 0.337 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 179.3 | -70.9 | -15 | 0 | 0 | 0 | 112 | V267 R268 G273 Y274 E275 K293 | V267-N271 WeakPolarHBondContact O-CB 3.49Å; V267-N271 VanDerWaalsContact O-CG 3.28Å; V267-N271 PolarHBondContact O-N 2.95Å; R268-N271 PolarHBondContact O-N 2.95Å; N271-G273 PolarHBondContact O-N 3.32Å; N271-Y274 WeakPolarHBondContact O-CB 3.31Å; N271-Y274 PolarHBondContact O-N 3.29Å; N271-Y274 VanDerWaalsContact O-N 3.12Å; N271-E275 PolarHBondContact O-N 2.64Å; N271-K293 WeakPolarHBondContact OD1-CE 3.48Å; N271-K293 PolarHBondContact OD1-NZ 3.33Å |
| 272 | A | 96.5 | Very high | 95.4 | Very high | 58 Ų | 58 | 85 Ų | 85 | 48% | 0.479 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.8 | -37.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R268 C269 E275 S276 | R268-A272 PolarHBondContact O-N 2.95Å; C269-A272 PolarHBondContact O-N 3.03Å; A272-E275 PolarHBondContact O-N 3.06Å; A272-S276 PolarHBondContact O-N 3.44Å |
| 273 | G | 96.9 | Very high | 94.5 | Very high | 42 Ų | 42 | 82.1 Ų | 82.1 | 43% | 0.433 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | C269 V270 N271 S276 L277 | C269-G273 PolarHBondContact O-N 3.45Å; C269-G273 VanDerWaalsContact O-N 3.09Å; V270-G273 WeakPolarHBondContact O-CA 3.48Å; V270-G273 PolarHBondContact O-N 2.9Å; V270-G273 VanDerWaalsContact O-N 3.12Å; N271-G273 PolarHBondContact O-N 3.32Å; G273-S276 PolarHBondContact O-N 3.09Å; G273-L277 WeakPolarHBondContact O-CB 3.43Å; G273-L277 PolarHBondContact O-N 3.39Å |
| 274 | Y | 96.4 | Very high | 93 | Very high | 54 Ų | 54 | 84.2 Ų | 84.2 | 21% | 0.212 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 175.1 | -83.5 | -78.1 | 0 | 0 | 0 | 112.9 | V270 N271 S276 L277 R278 K293 I296 L297 | V270-Y274 HydrophobicContact CG1-CD2 3.93Å; V270-Y274 HydrophobicContact CG1-CE2 3.68Å; V270-Y274 WeakPolarHBondContact O-CD2 3.43Å; V270-Y274 PolarHBondContact O-N 2.82Å; N271-Y274 WeakPolarHBondContact O-CB 3.31Å; N271-Y274 PolarHBondContact O-N 3.29Å; N271-Y274 VanDerWaalsContact O-N 3.12Å; Y274-S276 VanDerWaalsContact C-N 3.34Å; Y274-L277 PolarHBondContact O-N 3.49Å; Y274-R278 WeakPolarHBondContact O-CB 3.33Å; Y274-R278 PolarHBondContact O-N 3.31Å; Y274-K293 HydrophobicContact CD1-CB 4.36Å; Y274-K293 HydrophobicContact CD1-CG 4.21Å; Y274-K293 HydrophobicContact CD2-CD 4.34Å; Y274-K293 HydrophobicContact CD2-CG 4.49Å; Y274-K293 HydrophobicContact CE1-CB 3.87Å; Y274-K293 HydrophobicContact CE1-CD 4.45Å; Y274-K293 HydrophobicContact CE1-CG 4.06Å; Y274-K293 HydrophobicContact CE2-CD 3.95Å; Y274-K293 HydrophobicContact CE2-CG 4.35Å; Y274-K293 HydrophobicContact CG-CG 4.43Å; Y274-I296 HydrophobicContact CD1-CB 4.36Å; Y274-I296 HydrophobicContact CD1-CD1 4.19Å; Y274-I296 HydrophobicContact CD1-CG2 4.19Å; Y274-L297 HydrophobicContact CE1-CD1 4.38Å; Y274-L297 HydrophobicContact CE1-CD2 4.01Å; Y274-L297 HydrophobicContact CE1-CG 4Å |
| 275 | E | 93.4 | Very high | 91.2 | Very high | 97 Ų | 97 | 81.8 Ų | 81.8 | 45% | 0.453 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.2 | -38.1 | 176 | -68.7 | -57.1 | 150.9 | 0 | 0 | 111.6 | N271 A272 R278 R279 | N271-E275 PolarHBondContact O-N 2.64Å; A272-E275 PolarHBondContact O-N 3.06Å; E275-R278 PolarHBondContact O-N 3.07Å; E275-R278 IonicContact OE2-NH1 3.68Å; E275-R278 PolarHBondContact OE2-NH1 3.01Å; E275-R279 WeakPolarHBondContact O-CG 3.21Å; E275-R279 PolarHBondContact O-N 2.97Å; E275-R279 VanDerWaalsContact O-N 3.15Å |
| 276 | S | 94.3 | Very high | 89.8 | Confident | 41 Ų | 41 | 81.4 Ų | 81.4 | 29% | 0.287 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.1 | -49.1 | 172.7 | -168.5 | 0 | 0 | 0 | 0 | 111.5 | A272 G273 Y274 R278 R279 H280 | A272-S276 PolarHBondContact O-N 3.44Å; G273-S276 PolarHBondContact O-N 3.09Å; Y274-S276 VanDerWaalsContact C-N 3.34Å; S276-R278 VanDerWaalsContact C-N 3.3Å; S276-R278 PolarHBondContact O-N 3.44Å; S276-R279 PolarHBondContact O-N 3.42Å; S276-R279 PolarHBondContact OG-NH2 3.44Å; S276-H280 PolarHBondContact O-ND1 3.17Å |
| 277 | L | 95.3 | Very high | 88.4 | Confident | 58 Ų | 58 | 79.2 Ų | 79.2 | 30% | 0.304 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 177 | -178.7 | 56.6 | 0 | 0 | 0 | 111.5 | G273 Y274 R279 H280 I296 L297 A300 | G273-L277 WeakPolarHBondContact O-CB 3.43Å; G273-L277 PolarHBondContact O-N 3.39Å; Y274-L277 PolarHBondContact O-N 3.49Å; L277-R279 VanDerWaalsContact C-N 3.32Å; L277-R279 PolarHBondContact O-N 3.48Å; L277-H280 PolarHBondContact O-N 3.5Å; L277-H280 VanDerWaalsContact O-N 3.11Å; L277-I296 HydrophobicContact CB-CG2 4.11Å; L277-I296 HydrophobicContact CD2-CG2 3.72Å; L277-I296 HydrophobicContact CG-CG2 3.76Å; L277-L297 HydrophobicContact CD2-CD2 4.45Å; L277-A300 HydrophobicContact CD1-CB 3.83Å; L277-A300 HydrophobicContact CD2-CB 3.97Å; L277-A300 HydrophobicContact CG-CB 4.17Å |
| 278 | R | 93.1 | Very high | 87.5 | Confident | 46 Ų | 46 | 84.4 Ų | 84.4 | 17% | 0.174 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -56.8 | -41.7 | 178.2 | 176.3 | 175.2 | 174.2 | -141.1 | -5.3 | 112.7 | Y274 E275 S276 H280 L281 L283 P287 R289 L291 I296 | Y274-R278 WeakPolarHBondContact O-CB 3.33Å; Y274-R278 PolarHBondContact O-N 3.31Å; E275-R278 PolarHBondContact O-N 3.07Å; E275-R278 IonicContact OE2-NH1 3.68Å; E275-R278 PolarHBondContact OE2-NH1 3.01Å; S276-R278 VanDerWaalsContact C-N 3.3Å; S276-R278 PolarHBondContact O-N 3.44Å; R278-H280 PolarHBondContact O-N 3.35Å; R278-L281 PolarHBondContact O-N 3.28Å; R278-L283 HydrophobicContact CG-CD1 4.05Å; R278-P287 PolarHBondContact NH2-O 3.23Å; R278-R289 PolarHBondContact NH2-O 3.33Å; R278-L291 HydrophobicContact CG-CD1 4.13Å; R278-I296 HydrophobicContact CB-CD1 4.22Å; R278-I296 HydrophobicContact CB-CG1 4.41Å |
| 279 | R | 91.7 | Very high | 86.8 | Confident | 171 Ų | 171 | 82.8 Ų | 82.8 | 65% | 0.645 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.8 | -26.1 | 178.6 | -73.5 | -175.9 | -74.1 | 100.7 | -10 | 113.7 | E275 S276 L277 | E275-R279 WeakPolarHBondContact O-CG 3.21Å; E275-R279 PolarHBondContact O-N 2.97Å; E275-R279 VanDerWaalsContact O-N 3.15Å; S276-R279 PolarHBondContact O-N 3.42Å; S276-R279 PolarHBondContact OG-NH2 3.44Å; L277-R279 VanDerWaalsContact C-N 3.32Å; L277-R279 PolarHBondContact O-N 3.48Å |
| 280 | H | 92.2 | Very high | 86.4 | Confident | 110 Ų | 110 | 89.6 Ų | 89.6 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -6.8 | 179.5 | -63 | 88.7 | 0 | 0 | 0 | 113.2 | S276 L277 R278 Y303 | S276-H280 PolarHBondContact O-ND1 3.17Å; L277-H280 PolarHBondContact O-N 3.5Å; L277-H280 VanDerWaalsContact O-N 3.11Å; R278-H280 PolarHBondContact O-N 3.35Å; H280-Y303 WeakPolarHBondContact O-CE1 3.26Å |
| 281 | L | 93 | Very high | 86 | Confident | 16 Ų | 16 | 88.3 Ų | 88.3 | 8% | 0.084 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -80.5 | 138.4 | 179.4 | -61.1 | -177.4 | 0 | 0 | 0 | 110.7 | R278 L283 I296 A300 | R278-L281 PolarHBondContact O-N 3.28Å; L281-L283 HydrophobicContact CB-CD2 3.86Å; L281-L283 HydrophobicContact CB-CG 3.92Å; L281-L283 HydrophobicContact CD1-CD2 4.4Å; L281-L283 PolarHBondContact O-N 2.95Å; L281-I296 HydrophobicContact CD1-CG2 4.16Å; L281-A300 VanDerWaalsContact CD2-CA 3.44Å; L281-A300 HydrophobicContact CD2-CB 3.94Å |
| 282 | P | 89 | Confident | 85.8 | Confident | 70 Ų | 70 | 87.8 Ų | 87.8 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | trans | -74.1 | 77.3 | 172.5 | 32 | -36.1 | 0 | 0 | 0 | 109.8 | T284 Y303 | P282-T284 PolarHBondContact O-N 2.69Å; P282-Y303 HydrophobicContact CB-CE2 4.49Å; P282-Y303 HydrophobicContact CG-CD2 3.53Å; P282-Y303 HydrophobicContact CG-CE2 3.76Å; P282-Y303 HydrophobicContact CG-CG 3.98Å | ||
| 283 | L | 77.7 | Confident | 85.8 | Confident | 54 Ų | 54 | 89.4 Ų | 89.4 | 28% | 0.283 | 45% | 0.452 | S | S | . | . | trans | -81.9 | 68 | 179.4 | -58.2 | 177.1 | 0 | 0 | 0 | 110.2 | R278 L281 I285 L291 | R278-L283 HydrophobicContact CG-CD1 4.05Å; L281-L283 HydrophobicContact CB-CD2 3.86Å; L281-L283 HydrophobicContact CB-CG 3.92Å; L281-L283 HydrophobicContact CD1-CD2 4.4Å; L281-L283 PolarHBondContact O-N 2.95Å; L283-I285 PolarHBondContact O-N 3.3Å; L283-L291 HydrophobicContact CD1-CD1 3.61Å; L283-L291 HydrophobicContact CD1-CG 4.49Å; L283-L291 HydrophobicContact CD2-CD1 3.61Å; L283-L291 HydrophobicContact CG-CD1 4.26Å | ||
| 284 | T | 64.2 | Low | 85.7 | Confident | 126 Ų | 126 | 91.3 Ų | 91.3 | 77% | 0.773 | 46% | 0.455 | S | S | * | . | trans | -65.4 | -19.1 | -175.1 | 52.9 | 0 | 0 | 0 | 0 | 114.2 | P282 | P282-T284 PolarHBondContact O-N 2.69Š| ||
| 285 | I | 61.4 | Low | 85.6 | Confident | 143 Ų | 143 | 92.1 Ų | 92.1 | 73% | 0.733 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -102 | -30.4 | -169.8 | -55.1 | 170.9 | 0 | 0 | 0 | 111.8 | L283 | L283-I285 PolarHBondContact O-N 3.3Š|
| 286 | L | 66.7 | Low | 85.6 | Confident | 86 Ų | 86 | 87.8 Ų | 87.8 | 45% | 0.45 | 44% | 0.441 | S | S | . | . | trans | -156.8 | 79.4 | -175.7 | -63.1 | 170.9 | 0 | 0 | 0 | 112.4 | D288 R289 | L286-D288 PolarHBondContact O-N 3.47Å; L286-R289 HydrophobicContact CB-CB 3.51Å; L286-R289 HydrophobicContact CD1-CB 3.94Å; L286-R289 HydrophobicContact CD1-CG 4.28Å; L286-R289 HydrophobicContact CG-CB 4.29Å; L286-R289 PolarHBondContact O-N 2.94Å | ||
| 287 | P | 69.7 | Low | 85.8 | Confident | 88 Ų | 88 | 89.6 Ų | 89.6 | 57% | 0.571 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -35.2 | 178.1 | 23 | -33 | 0 | 0 | 0 | 112.3 | R278 | R278-P287 PolarHBondContact NH2-O 3.23Š|
| 288 | D | 76.9 | Confident | 85.8 | Confident | 157 Ų | 157 | 95.7 Ų | 95.7 | 84% | 0.84 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -9 | -176.6 | -63.2 | -28.3 | 0 | 0 | 0 | 113.9 | L286 R290 | L286-D288 PolarHBondContact O-N 3.47Å; D288-R290 PolarHBondContact O-N 3.34Å |
| 289 | R | 83.4 | Confident | 85.8 | Confident | 121 Ų | 121 | 94.7 Ų | 94.7 | 46% | 0.457 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -72.1 | 125.2 | 178.3 | 175.7 | 173.5 | 166.6 | -175 | -6.7 | 109.7 | R278 L286 L291 E295 | R278-R289 PolarHBondContact NH2-O 3.33Å; L286-R289 HydrophobicContact CB-CB 3.51Å; L286-R289 HydrophobicContact CD1-CB 3.94Å; L286-R289 HydrophobicContact CD1-CG 4.28Å; L286-R289 HydrophobicContact CG-CB 4.29Å; L286-R289 PolarHBondContact O-N 2.94Å; R289-L291 PolarHBondContact O-N 3.22Å; R289-L291 VanDerWaalsContact O-N 3.17Å; R289-E295 IonicContact CZ-OE1 3.39Å; R289-E295 IonicContact NH2-OE1 2.67Å; R289-E295 PolarHBondContact NH2-OE1 3.07Å; R289-E295 IonicContact NH2-OE2 3.71Å |
| 290 | R | 87.2 | Confident | 86 | Confident | 223 Ų | 223 | 87 Ų | 87 | 84% | 0.842 | 44% | 0.443 | S | S | * | . | trans | -61.8 | 115.5 | 167.3 | -177.9 | 175.2 | 140.4 | -177 | -6.6 | 109.1 | D288 | D288-R290 PolarHBondContact O-N 3.34Š| ||
| 291 | L | 89.7 | Confident | 86.2 | Confident | 31 Ų | 31 | 86.7 Ų | 86.7 | 16% | 0.162 | 44% | 0.444 | C | S | . | . | trans | -87.5 | 140.9 | 178 | -62.8 | -179.8 | 0 | 0 | 0 | 111 | R278 L283 R289 E295 I296 | R278-L291 HydrophobicContact CG-CD1 4.13Å; L283-L291 HydrophobicContact CD1-CD1 3.61Å; L283-L291 HydrophobicContact CD1-CG 4.49Å; L283-L291 HydrophobicContact CD2-CD1 3.61Å; L283-L291 HydrophobicContact CG-CD1 4.26Å; R289-L291 PolarHBondContact O-N 3.22Å; R289-L291 VanDerWaalsContact O-N 3.17Å; L291-E295 HydrophobicContact CB-CB 4.44Å; L291-I296 HydrophobicContact CB-CD1 4.21Å; L291-I296 HydrophobicContact CB-CG1 3.65Å; L291-I296 HydrophobicContact CD1-CG1 4.09Å | ||
| 292 | A | 93.6 | Very high | 86.3 | Confident | 52 Ų | 52 | 90 Ų | 90 | 43% | 0.43 | 46% | 0.462 | S | S | . | . | trans | -69.7 | 152.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V294 E295 I296 | A292-V294 PolarHBondContact O-N 3.13Å; A292-V294 VanDerWaalsContact O-N 3.15Å; A292-E295 HydrophobicContact CB-CB 4.47Å; A292-E295 HydrophobicContact CB-CG 4.11Å; A292-E295 PolarHBondContact N-OE2 3.25Å; A292-E295 WeakPolarHBondContact O-CA 3.22Å; A292-E295 WeakPolarHBondContact O-CB 3.03Å; A292-E295 PolarHBondContact O-N 3.38Å; A292-I296 WeakPolarHBondContact O-CG1 3.4Å; A292-I296 PolarHBondContact O-N 3.02Å | ||
| 293 | K | 95.2 | Very high | 86.7 | Confident | 91 Ų | 91 | 90.6 Ų | 90.6 | 40% | 0.396 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -52 | -41 | 177.1 | -70.3 | -173.7 | 174 | -171.7 | 0 | 112.3 | N271 Y274 I296 L297 | N271-K293 WeakPolarHBondContact OD1-CE 3.48Å; N271-K293 PolarHBondContact OD1-NZ 3.33Å; Y274-K293 HydrophobicContact CD1-CB 4.36Å; Y274-K293 HydrophobicContact CD1-CG 4.21Å; Y274-K293 HydrophobicContact CD2-CD 4.34Å; Y274-K293 HydrophobicContact CD2-CG 4.49Å; Y274-K293 HydrophobicContact CE1-CB 3.87Å; Y274-K293 HydrophobicContact CE1-CD 4.45Å; Y274-K293 HydrophobicContact CE1-CG 4.06Å; Y274-K293 HydrophobicContact CE2-CD 3.95Å; Y274-K293 HydrophobicContact CE2-CG 4.35Å; Y274-K293 HydrophobicContact CG-CG 4.43Å; K293-I296 PolarHBondContact O-N 3.1Å; K293-L297 WeakPolarHBondContact O-CG 3.47Å; K293-L297 PolarHBondContact O-N 3.02Å; K293-L297 VanDerWaalsContact O-N 3.1Å |
| 294 | V | 96.1 | Very high | 87.6 | Confident | 82 Ų | 82 | 92.2 Ų | 92.2 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 178.4 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | A292 L297 R298 | A292-V294 PolarHBondContact O-N 3.13Å; A292-V294 VanDerWaalsContact O-N 3.15Å; V294-L297 PolarHBondContact O-N 3.2Å; V294-R298 HydrophobicContact CG1-CG 4.43Å; V294-R298 WeakPolarHBondContact O-CB 3.35Å; V294-R298 VanDerWaalsContact O-CG 3.3Å; V294-R298 WeakPolarHBondContact O-CG 3.32Å; V294-R298 PolarHBondContact O-N 3.16Å |
| 295 | E | 93.4 | Very high | 89.2 | Confident | 72 Ų | 72 | 90.4 Ų | 90.4 | 34% | 0.336 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 177.1 | -66.3 | 175.9 | 137.4 | 0 | 0 | 111.1 | R289 L291 A292 L297 R298 G299 | R289-E295 IonicContact CZ-OE1 3.39Å; R289-E295 IonicContact NH2-OE1 2.67Å; R289-E295 PolarHBondContact NH2-OE1 3.07Å; R289-E295 IonicContact NH2-OE2 3.71Å; L291-E295 HydrophobicContact CB-CB 4.44Å; A292-E295 HydrophobicContact CB-CB 4.47Å; A292-E295 HydrophobicContact CB-CG 4.11Å; A292-E295 PolarHBondContact N-OE2 3.25Å; A292-E295 WeakPolarHBondContact O-CA 3.22Å; A292-E295 WeakPolarHBondContact O-CB 3.03Å; A292-E295 PolarHBondContact O-N 3.38Å; E295-L297 VanDerWaalsContact C-N 3.34Å; E295-L297 PolarHBondContact O-N 3.01Å; E295-R298 PolarHBondContact O-N 3.31Å; E295-G299 PolarHBondContact O-N 2.75Å |
| 296 | I | 94.7 | Very high | 90.8 | Very high | 5 Ų | 5 | 88.8 Ų | 88.8 | 3% | 0.026 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -58.6 | -47.5 | 175.1 | -62 | 170 | 0 | 0 | 0 | 110.1 | Y274 L277 R278 L281 L291 A292 K293 G299 A300 | Y274-I296 HydrophobicContact CD1-CB 4.36Å; Y274-I296 HydrophobicContact CD1-CD1 4.19Å; Y274-I296 HydrophobicContact CD1-CG2 4.19Å; L277-I296 HydrophobicContact CB-CG2 4.11Å; L277-I296 HydrophobicContact CD2-CG2 3.72Å; L277-I296 HydrophobicContact CG-CG2 3.76Å; R278-I296 HydrophobicContact CB-CD1 4.22Å; R278-I296 HydrophobicContact CB-CG1 4.41Å; L281-I296 HydrophobicContact CD1-CG2 4.16Å; L291-I296 HydrophobicContact CB-CD1 4.21Å; L291-I296 HydrophobicContact CB-CG1 3.65Å; L291-I296 HydrophobicContact CD1-CG1 4.09Å; A292-I296 WeakPolarHBondContact O-CG1 3.4Å; A292-I296 PolarHBondContact O-N 3.02Å; K293-I296 PolarHBondContact O-N 3.1Å; I296-G299 PolarHBondContact O-N 2.77Å; I296-A300 WeakPolarHBondContact O-CB 2.94Å; I296-A300 PolarHBondContact O-N 3.04Å |
| 297 | L | 97.2 | Very high | 92.2 | Very high | 80 Ų | 80 | 88 Ų | 88 | 42% | 0.419 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 179.3 | -66.9 | 174.8 | 0 | 0 | 0 | 112.3 | Y274 L277 K293 V294 E295 G299 A300 I301 | Y274-L297 HydrophobicContact CE1-CD1 4.38Å; Y274-L297 HydrophobicContact CE1-CD2 4.01Å; Y274-L297 HydrophobicContact CE1-CG 4Å; L277-L297 HydrophobicContact CD2-CD2 4.45Å; K293-L297 WeakPolarHBondContact O-CG 3.47Å; K293-L297 PolarHBondContact O-N 3.02Å; K293-L297 VanDerWaalsContact O-N 3.1Å; V294-L297 PolarHBondContact O-N 3.2Å; E295-L297 VanDerWaalsContact C-N 3.34Å; E295-L297 PolarHBondContact O-N 3.01Å; L297-G299 VanDerWaalsContact C-N 3.33Å; L297-G299 PolarHBondContact O-N 3Å; L297-A300 PolarHBondContact O-N 3.29Å; L297-I301 WeakPolarHBondContact O-CG1 3.46Å; L297-I301 PolarHBondContact O-N 2.9Å; L297-I301 VanDerWaalsContact O-N 3.09Å |
| 298 | R | 95.3 | Very high | 93.5 | Very high | 185 Ų | 185 | 89.4 Ų | 89.4 | 70% | 0.698 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 177 | -73.2 | 176.3 | 178.6 | -172.2 | -0.3 | 111.6 | V294 E295 I301 N302 | V294-R298 HydrophobicContact CG1-CG 4.43Å; V294-R298 WeakPolarHBondContact O-CB 3.35Å; V294-R298 VanDerWaalsContact O-CG 3.3Å; V294-R298 WeakPolarHBondContact O-CG 3.32Å; V294-R298 PolarHBondContact O-N 3.16Å; E295-R298 PolarHBondContact O-N 3.31Å; R298-I301 PolarHBondContact O-N 3.19Å; R298-N302 WeakPolarHBondContact O-CB 3.35Å; R298-N302 PolarHBondContact O-N 3.15Å; R298-N302 VanDerWaalsContact O-N 3.08Å |
| 299 | G | 93.5 | Very high | 94.4 | Very high | 26 Ų | 26 | 86.8 Ų | 86.8 | 27% | 0.268 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E295 I296 L297 N302 Y303 | E295-G299 PolarHBondContact O-N 2.75Å; I296-G299 PolarHBondContact O-N 2.77Å; L297-G299 VanDerWaalsContact C-N 3.33Å; L297-G299 PolarHBondContact O-N 3Å; G299-N302 PolarHBondContact O-N 3.47Å; G299-Y303 WeakPolarHBondContact O-CB 3.4Å; G299-Y303 PolarHBondContact O-N 3.41Å |
| 300 | A | 96.5 | Very high | 95.1 | Very high | 10 Ų | 10 | 86.6 Ų | 86.6 | 8% | 0.083 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L277 L281 I296 L297 N302 Y303 I304 | L277-A300 HydrophobicContact CD1-CB 3.83Å; L277-A300 HydrophobicContact CD2-CB 3.97Å; L277-A300 HydrophobicContact CG-CB 4.17Å; L281-A300 VanDerWaalsContact CD2-CA 3.44Å; L281-A300 HydrophobicContact CD2-CB 3.94Å; I296-A300 WeakPolarHBondContact O-CB 2.94Å; I296-A300 PolarHBondContact O-N 3.04Å; L297-A300 PolarHBondContact O-N 3.29Å; A300-N302 PolarHBondContact O-N 3.32Å; A300-Y303 PolarHBondContact O-N 3.38Å; A300-I304 VanDerWaalsContact O-CG1 3.32Å; A300-I304 WeakPolarHBondContact O-CG1 3.23Å; A300-I304 PolarHBondContact O-N 3.15Å |
| 301 | I | 96.8 | Very high | 95.5 | Very high | 103 Ų | 103 | 83.1 Ų | 83.1 | 53% | 0.528 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.2 | -47.6 | 178 | -66.2 | 165.5 | 0 | 0 | 0 | 110.5 | L297 R298 Y303 I304 N305 | L297-I301 WeakPolarHBondContact O-CG1 3.46Å; L297-I301 PolarHBondContact O-N 2.9Å; L297-I301 VanDerWaalsContact O-N 3.09Å; R298-I301 PolarHBondContact O-N 3.19Å; I301-Y303 VanDerWaalsContact C-N 3.31Å; I301-Y303 PolarHBondContact O-N 3.28Å; I301-I304 PolarHBondContact O-N 3.09Å; I301-N305 PolarHBondContact O-N 3.16Å; I301-N305 PolarHBondContact O-ND2 3.17Å |
| 302 | N | 95.4 | Very high | 95.7 | Very high | 85 Ų | 85 | 89.6 Ų | 89.6 | 46% | 0.455 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 177.9 | -172 | 26 | 0 | 0 | 0 | 111.7 | R298 G299 A300 N305 K306 | R298-N302 WeakPolarHBondContact O-CB 3.35Å; R298-N302 PolarHBondContact O-N 3.15Å; R298-N302 VanDerWaalsContact O-N 3.08Å; G299-N302 PolarHBondContact O-N 3.47Å; A300-N302 PolarHBondContact O-N 3.32Å; N302-N305 PolarHBondContact O-N 3.11Å; N302-K306 WeakPolarHBondContact O-CG 3.17Å; N302-K306 PolarHBondContact O-N 3.35Å |
| 303 | Y | 96.1 | Very high | 94.6 | Very high | 82 Ų | 82 | 96.5 Ų | 96.5 | 32% | 0.322 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 179.4 | -174.4 | -140 | 0 | 0 | 0 | 111.9 | H280 P282 G299 A300 I301 N305 K306 L307 | H280-Y303 WeakPolarHBondContact O-CE1 3.26Å; P282-Y303 HydrophobicContact CB-CE2 4.49Å; P282-Y303 HydrophobicContact CG-CD2 3.53Å; P282-Y303 HydrophobicContact CG-CE2 3.76Å; P282-Y303 HydrophobicContact CG-CG 3.98Å; G299-Y303 WeakPolarHBondContact O-CB 3.4Å; G299-Y303 PolarHBondContact O-N 3.41Å; A300-Y303 PolarHBondContact O-N 3.38Å; I301-Y303 VanDerWaalsContact C-N 3.31Å; I301-Y303 PolarHBondContact O-N 3.28Å; Y303-N305 VanDerWaalsContact C-N 3.31Å; Y303-N305 PolarHBondContact O-N 3.38Å; Y303-K306 PolarHBondContact O-N 3.26Å; Y303-L307 HydrophobicContact CD1-CD1 4.2Å; Y303-L307 HydrophobicContact CD2-CD1 4.26Å; Y303-L307 HydrophobicContact CD2-CD2 4.47Å; Y303-L307 HydrophobicContact CD2-CG 4.04Å; Y303-L307 HydrophobicContact CE1-CD1 3.88Å; Y303-L307 HydrophobicContact CE2-CD1 3.94Å; Y303-L307 HydrophobicContact CE2-CD2 3.77Å; Y303-L307 HydrophobicContact CE2-CG 3.77Å; Y303-L307 HydrophobicContact CG-CD1 4.39Å; Y303-L307 WeakPolarHBondContact O-CG 3.38Å; Y303-L307 PolarHBondContact O-N 2.78Å |
| 304 | I | 97 | Very high | 94.6 | Very high | 88 Ų | 88 | 96.8 Ų | 96.8 | 45% | 0.451 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.2 | -44.9 | 174.2 | -68.5 | 165.5 | 0 | 0 | 0 | 110.8 | A300 I301 L307 K308 | A300-I304 VanDerWaalsContact O-CG1 3.32Å; A300-I304 WeakPolarHBondContact O-CG1 3.23Å; A300-I304 PolarHBondContact O-N 3.15Å; I301-I304 PolarHBondContact O-N 3.09Å; I304-L307 PolarHBondContact O-N 3.05Å; I304-K308 HydrophobicContact CG2-CD 4.35Å; I304-K308 WeakPolarHBondContact O-CG 3.33Å; I304-K308 PolarHBondContact O-N 3.1Å |
| 305 | N | 96.7 | Very high | 94.5 | Very high | 88 Ų | 88 | 97.6 Ų | 97.6 | 47% | 0.471 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 179.3 | -70.2 | -16.3 | 0 | 0 | 0 | 112.5 | I301 N302 Y303 K308 E309 | I301-N305 PolarHBondContact O-N 3.16Å; I301-N305 PolarHBondContact O-ND2 3.17Å; N302-N305 PolarHBondContact O-N 3.11Å; Y303-N305 VanDerWaalsContact C-N 3.31Å; Y303-N305 PolarHBondContact O-N 3.38Å; N305-K308 PolarHBondContact O-N 3.2Å; N305-E309 PolarHBondContact O-N 2.67Å |
| 306 | K | 95.1 | Very high | 94.6 | Very high | 109 Ų | 109 | 99 Ų | 99 | 47% | 0.474 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 174.8 | -73.7 | 178.7 | 178.2 | -172.3 | 0 | 112.1 | N302 Y303 K308 E309 L310 | N302-K306 WeakPolarHBondContact O-CG 3.17Å; N302-K306 PolarHBondContact O-N 3.35Å; Y303-K306 PolarHBondContact O-N 3.26Å; K306-K308 VanDerWaalsContact C-N 3.32Å; K306-E309 PolarHBondContact O-N 2.97Å; K306-L310 VanDerWaalsContact O-CG 3.31Å; K306-L310 WeakPolarHBondContact O-CG 3.49Å; K306-L310 PolarHBondContact O-N 2.78Å |
| 307 | L | 96.7 | Very high | 94.6 | Very high | 69 Ų | 69 | 104.5 Ų | 104.5 | 36% | 0.361 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 176.1 | -68.9 | 177.3 | 0 | 0 | 0 | 111.3 | Y303 I304 L310 L311 | Y303-L307 HydrophobicContact CD1-CD1 4.2Å; Y303-L307 HydrophobicContact CD2-CD1 4.26Å; Y303-L307 HydrophobicContact CD2-CD2 4.47Å; Y303-L307 HydrophobicContact CD2-CG 4.04Å; Y303-L307 HydrophobicContact CE1-CD1 3.88Å; Y303-L307 HydrophobicContact CE2-CD1 3.94Å; Y303-L307 HydrophobicContact CE2-CD2 3.77Å; Y303-L307 HydrophobicContact CE2-CG 3.77Å; Y303-L307 HydrophobicContact CG-CD1 4.39Å; Y303-L307 WeakPolarHBondContact O-CG 3.38Å; Y303-L307 PolarHBondContact O-N 2.78Å; I304-L307 PolarHBondContact O-N 3.05Å; L307-L310 PolarHBondContact O-N 2.89Å; L307-L311 VanDerWaalsContact O-CG 3.29Å; L307-L311 WeakPolarHBondContact O-CG 3.47Å; L307-L311 PolarHBondContact O-N 3.39Å; L307-L311 VanDerWaalsContact O-N 3.15Å |
| 308 | K | 97.1 | Very high | 94.4 | Very high | 118 Ų | 118 | 106.1 Ų | 106.1 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 173.7 | -73.3 | 178.9 | 175.1 | -172 | 0 | 112.2 | I304 N305 K306 L310 L311 E312 | I304-K308 HydrophobicContact CG2-CD 4.35Å; I304-K308 WeakPolarHBondContact O-CG 3.33Å; I304-K308 PolarHBondContact O-N 3.1Å; N305-K308 PolarHBondContact O-N 3.2Å; K306-K308 VanDerWaalsContact C-N 3.32Å; K308-L310 VanDerWaalsContact C-N 3.27Å; K308-L310 PolarHBondContact O-N 3Å; K308-L311 PolarHBondContact O-N 3.05Å; K308-E312 WeakPolarHBondContact O-CG 3.42Å; K308-E312 PolarHBondContact O-N 2.97Å |
| 309 | E | 96.6 | Very high | 94.4 | Very high | 102 Ų | 102 | 100.8 Ų | 100.8 | 48% | 0.477 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.6 | -37.1 | 178 | -169.6 | -164.7 | 149.7 | 0 | 0 | 112.3 | N305 K306 L311 K313 | N305-E309 PolarHBondContact O-N 2.67Å; K306-E309 PolarHBondContact O-N 2.97Å; E309-L311 VanDerWaalsContact C-N 3.33Å; E309-K313 WeakPolarHBondContact O-CG 3.37Å; E309-K313 PolarHBondContact O-N 2.91Å; E309-K313 WeakPolarHBondContact OE1-CE 3.28Å; E309-K313 IonicContact OE1-NZ 2.71Å; E309-K313 PolarHBondContact OE1-NZ 3.11Å |
| 310 | L | 96.3 | Very high | 94.4 | Very high | 117 Ų | 117 | 106.1 Ų | 106.1 | 61% | 0.613 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.3 | -26.9 | 176.7 | -73.4 | 172.7 | 0 | 0 | 0 | 113.4 | K306 L307 K308 | K306-L310 VanDerWaalsContact O-CG 3.31Å; K306-L310 WeakPolarHBondContact O-CG 3.49Å; K306-L310 PolarHBondContact O-N 2.78Å; L307-L310 PolarHBondContact O-N 2.89Å; K308-L310 VanDerWaalsContact C-N 3.27Å; K308-L310 PolarHBondContact O-N 3Å |
| 311 | L | 96.7 | Very high | 94.3 | Very high | 150 Ų | 150 | 113.5 Ų | 113.5 | 79% | 0.785 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -88 | -19.1 | 178.2 | -69.8 | 173.4 | 0 | 0 | 0 | 113.1 | L307 K308 E309 | L307-L311 VanDerWaalsContact O-CG 3.29Å; L307-L311 WeakPolarHBondContact O-CG 3.47Å; L307-L311 PolarHBondContact O-N 3.39Å; L307-L311 VanDerWaalsContact O-N 3.15Å; K308-L311 PolarHBondContact O-N 3.05Å; E309-L311 VanDerWaalsContact C-N 3.33Å |
| 312 | E | 93 | Very high | 94.1 | Very high | 167 Ų | 167 | 114.4 Ų | 114.4 | 78% | 0.78 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -86.5 | -12.6 | 176 | -72.3 | 173.5 | -173.5 | 0 | 0 | 113.2 | K308 | K308-E312 WeakPolarHBondContact O-CG 3.42Å; K308-E312 PolarHBondContact O-N 2.97Å |
| 313 | K | 72.4 | Confident | 94 | Very high | 198 Ų | 198 | 117.1 Ų | 117.1 | 86% | 0.861 | 56% | 0.555 | S | S | * | * | trans | -88.9 | 0 | 173.1 | -74.2 | 177.4 | -174.1 | 167.5 | 0 | 111.6 | E309 | E309-K313 WeakPolarHBondContact O-CG 3.37Å; E309-K313 PolarHBondContact O-N 2.91Å; E309-K313 WeakPolarHBondContact OE1-CE 3.28Å; E309-K313 IonicContact OE1-NZ 2.71Å; E309-K313 PolarHBondContact OE1-NZ 3.11Å |
Retrieved 313 of 313 residues in 120.3 ms
(Link to these results)