| 1 | M | 57.7 | Low | 76.5 | Confident | 233 Ų | 233 | 124 Ų | 124 | 100% | 1.148 | 67% | 0.668 | S | S | * | * | | | | 0 | 25.6 | 0 | -69.1 | 91 | 154.3 | 0 | 0 | 115 | | |
| 2 | G | 66.4 | Low | 77.4 | Confident | 58 Ų | 58 | 116.8 Ų | 116.8 | 60% | 0.598 | 64% | 0.644 | S | S | * | * | | | trans | -90.1 | -24.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 3 | R | 74.1 | Confident | 78 | Confident | 229 Ų | 229 | 116.9 Ų | 116.9 | 86% | 0.864 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -89.2 | -29.4 | -167.4 | -60.3 | -175.2 | -174.9 | -169.8 | 1.6 | 114.5 | M5 V6 A7 | R3-M5 PolarHBondContact O-N 3.36Å; R3-M5 VanDerWaalsContact C-N 3.25Å; R3-V6 PolarHBondContact O-N 3.25Å; R3-A7 PolarHBondContact O-N 3.4Å |
| 4 | A | 75.6 | Confident | 78.5 | Confident | 72 Ų | 72 | 117.6 Ų | 117.6 | 60% | 0.595 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66.7 | -27.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R8 | A4-R8 PolarHBondContact O-N 3.14Å; A4-R8 VanDerWaalsContact O-N 3.07Å |
| 5 | M | 76.6 | Confident | 78.9 | Confident | 138 Ų | 138 | 116.7 Ų | 116.7 | 68% | 0.68 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -74.6 | -39.7 | 179.1 | -158.8 | 166.8 | -157.8 | 0 | 0 | 112 | R3 R8 L9 | R3-M5 PolarHBondContact O-N 3.36Å; R3-M5 VanDerWaalsContact C-N 3.25Å; M5-R8 PolarHBondContact O-N 2.7Å; M5-L9 WeakPolarHBondContact O-CG 3.13Å; M5-L9 PolarHBondContact O-N 2.84Å |
| 6 | V | 77.9 | Confident | 79.1 | Confident | 104 Ų | 104 | 116.6 Ų | 116.6 | 63% | 0.63 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65 | -42.4 | 174.6 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | R3 R8 L9 G10 | R3-V6 PolarHBondContact O-N 3.25Å; V6-R8 PolarHBondContact O-N 3.22Å; V6-L9 PolarHBondContact O-N 2.95Å; V6-G10 PolarHBondContact O-N 3.41Å |
| 7 | A | 78.9 | Confident | 79.2 | Confident | 60 Ų | 60 | 113.6 Ų | 113.6 | 50% | 0.496 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -61.3 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R3 L9 G10 L11 | R3-A7 PolarHBondContact O-N 3.4Å; A7-L9 PolarHBondContact O-N 3.44Å; A7-G10 PolarHBondContact O-N 3.09Å; A7-L11 PolarHBondContact O-N 2.75Å; A7-L11 WeakPolarHBondContact O-CB 3.35Å |
| 8 | R | 80.8 | Confident | 79.3 | Confident | 210 Ų | 210 | 113.8 Ų | 113.8 | 79% | 0.792 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.4 | -40.4 | 175.3 | -88.1 | -178.6 | 72.4 | 161.9 | 1.1 | 113.3 | A4 M5 V6 G12 | A4-R8 PolarHBondContact O-N 3.14Å; A4-R8 VanDerWaalsContact O-N 3.07Å; M5-R8 PolarHBondContact O-N 2.7Å; V6-R8 PolarHBondContact O-N 3.22Å; R8-G12 PolarHBondContact O-N 3.29Å |
| 9 | L | 82.9 | Confident | 79.2 | Confident | 115 Ų | 115 | 113 Ų | 113 | 60% | 0.602 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.9 | -44.3 | 176.9 | -79.7 | 161.6 | 0 | 0 | 0 | 111.6 | M5 V6 A7 G12 L13 | M5-L9 WeakPolarHBondContact O-CG 3.13Å; M5-L9 PolarHBondContact O-N 2.84Å; V6-L9 PolarHBondContact O-N 2.95Å; A7-L9 PolarHBondContact O-N 3.44Å; L9-G12 PolarHBondContact O-N 3.46Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 2.99Å; L9-L13 VanDerWaalsContact O-N 3.11Å |
| 10 | G | 86.6 | Confident | 78.9 | Confident | 37 Ų | 37 | 113.4 Ų | 113.4 | 38% | 0.381 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.1 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | V6 A7 L13 L14 | V6-G10 PolarHBondContact O-N 3.41Å; A7-G10 PolarHBondContact O-N 3.09Å; G10-L13 PolarHBondContact O-N 2.85Å; G10-L14 WeakPolarHBondContact O-CB 3.41Å; G10-L14 PolarHBondContact O-N 3.08Å |
| 11 | L | 84.5 | Confident | 78.3 | Confident | 108 Ų | 108 | 111.3 Ų | 111.3 | 57% | 0.565 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.3 | -39.1 | 178.3 | -129.4 | 151.9 | 0 | 0 | 0 | 111.8 | A7 L14 L15 | A7-L11 PolarHBondContact O-N 2.75Å; A7-L11 WeakPolarHBondContact O-CB 3.35Å; L11-L14 PolarHBondContact O-N 2.95Å; L11-L15 HydrophobicContact CD2-CD1 4.04Å; L11-L15 PolarHBondContact O-N 3.49Å; L11-L15 WeakPolarHBondContact O-CG 3.35Å; L11-L15 HydrophobicContact CD2-CG 4.29Å; L11-L15 VanDerWaalsContact O-CG 3.28Å |
| 12 | G | 87.3 | Confident | 78.8 | Confident | 37 Ų | 37 | 103.2 Ų | 103.2 | 38% | 0.381 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.2 | -41.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | R8 L9 L15 L16 | R8-G12 PolarHBondContact O-N 3.29Å; L9-G12 PolarHBondContact O-N 3.46Å; G12-L15 PolarHBondContact O-N 3.38Å; G12-L16 WeakPolarHBondContact O-CB 3.37Å; G12-L16 PolarHBondContact O-N 3.02Å |
| 13 | L | 84.7 | Confident | 78.7 | Confident | 119 Ų | 119 | 105.8 Ų | 105.8 | 62% | 0.623 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67 | -40.1 | 175.3 | -76.5 | 166.6 | 0 | 0 | 0 | 112.4 | L9 G10 L16 A17 | L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 2.99Å; L9-L13 VanDerWaalsContact O-N 3.11Å; G10-L13 PolarHBondContact O-N 2.85Å; L13-L16 PolarHBondContact O-N 3.22Å; L13-A17 VanDerWaalsContact O-CB 3.31Å; L13-A17 WeakPolarHBondContact O-CB 2.86Å; L13-A17 PolarHBondContact O-N 3.42Å |
| 14 | L | 84.8 | Confident | 78.3 | Confident | 127 Ų | 127 | 103 Ų | 103 | 67% | 0.665 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.6 | -43.9 | 175.7 | -120 | 153.4 | 0 | 0 | 0 | 111.6 | G10 L11 A17 L18 | G10-L14 WeakPolarHBondContact O-CB 3.41Å; G10-L14 PolarHBondContact O-N 3.08Å; L11-L14 PolarHBondContact O-N 2.95Å; L14-A17 PolarHBondContact O-N 2.84Å; L14-L18 WeakPolarHBondContact O-CB 3.47Å; L14-L18 PolarHBondContact O-N 3.33Å |
| 15 | L | 84.5 | Confident | 77.8 | Confident | 104 Ų | 104 | 107.6 Ų | 107.6 | 55% | 0.545 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.4 | -41.1 | 175.3 | -70.6 | 170.9 | 0 | 0 | 0 | 111.9 | L11 G12 L18 L19 | L11-L15 HydrophobicContact CD2-CD1 4.04Å; L11-L15 PolarHBondContact O-N 3.49Å; L11-L15 WeakPolarHBondContact O-CG 3.35Å; L11-L15 HydrophobicContact CD2-CG 4.29Å; L11-L15 VanDerWaalsContact O-CG 3.28Å; G12-L15 PolarHBondContact O-N 3.38Å; L15-L18 PolarHBondContact O-N 2.88Å; L15-L19 VanDerWaalsContact O-CB 3.27Å; L15-L19 WeakPolarHBondContact O-CB 3.44Å; L15-L19 PolarHBondContact O-N 3.02Å |
| 16 | L | 81.6 | Confident | 77.1 | Confident | 115 Ų | 115 | 107.3 Ų | 107.3 | 60% | 0.602 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.3 | -43 | 176.7 | -152.7 | 88.6 | 0 | 0 | 0 | 111.5 | G12 L13 L18 L19 L20 | G12-L16 WeakPolarHBondContact O-CB 3.37Å; G12-L16 PolarHBondContact O-N 3.02Å; L13-L16 PolarHBondContact O-N 3.22Å; L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 3.33Å; L16-L19 PolarHBondContact O-N 2.9Å; L16-L20 WeakPolarHBondContact O-CB 3.47Å; L16-L20 PolarHBondContact O-N 3.3Å |
| 17 | A | 81.3 | Confident | 76.3 | Confident | 66 Ų | 66 | 110.8 Ų | 110.8 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.5 | -30.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L13 L14 P21 | L13-A17 VanDerWaalsContact O-CB 3.31Å; L13-A17 WeakPolarHBondContact O-CB 2.86Å; L13-A17 PolarHBondContact O-N 3.42Å; L14-A17 PolarHBondContact O-N 2.84Å; A17-P21 WeakPolarHBondContact O-CD 3.2Å; A17-P21 WeakPolarHBondContact O-CG 3.36Å |
| 18 | L | 80.4 | Confident | 75.5 | Confident | 117 Ų | 117 | 114.7 Ų | 114.7 | 61% | 0.613 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -79.9 | -33.8 | 174.3 | -174.4 | 62.4 | 0 | 0 | 0 | 112.5 | L14 L15 L16 P21 T22 | L14-L18 WeakPolarHBondContact O-CB 3.47Å; L14-L18 PolarHBondContact O-N 3.33Å; L15-L18 PolarHBondContact O-N 2.88Å; L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 3.33Å; L18-P21 WeakPolarHBondContact O-CD 3.31Å; L18-P21 WeakPolarHBondContact O-CG 3.48Å; L18-T22 PolarHBondContact O-OG1 2.86Å |
| 19 | L | 78.3 | Confident | 74.5 | Confident | 98 Ų | 98 | 108 Ų | 108 | 51% | 0.513 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -72.4 | -38.7 | 179.2 | -173.2 | 63.3 | 0 | 0 | 0 | 112.2 | L15 L16 T22 Q23 | L15-L19 VanDerWaalsContact O-CB 3.27Å; L15-L19 WeakPolarHBondContact O-CB 3.44Å; L15-L19 PolarHBondContact O-N 3.02Å; L16-L19 PolarHBondContact O-N 2.9Å; L19-T22 PolarHBondContact O-N 3.19Å; L19-Q23 HydrophobicContact CD1-CG 4.43Å; L19-Q23 HydrophobicContact CG-CG 4.26Å; L19-Q23 VanDerWaalsContact O-CG 3.29Å; L19-Q23 WeakPolarHBondContact O-CG 3.28Å; L19-Q23 PolarHBondContact O-N 3.49Å |
| 20 | L | 72.2 | Confident | 73.5 | Confident | 121 Ų | 121 | 106.3 Ų | 106.3 | 63% | 0.634 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -56.9 | -46.1 | -179.1 | -152.8 | 73 | 0 | 0 | 0 | 115 | L16 K24 | L16-L20 WeakPolarHBondContact O-CB 3.47Å; L16-L20 PolarHBondContact O-N 3.3Å; L20-K24 PolarHBondContact O-N 3.29Å |
| 21 | P | 66.7 | Low | 72.4 | Confident | 70 Ų | 70 | 111.1 Ų | 111.1 | 46% | 0.455 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.9 | -34 | 174.9 | 26 | -32.9 | 0 | 0 | 0 | 112.3 | A17 L18 Q23 K24 M25 | A17-P21 WeakPolarHBondContact O-CD 3.2Å; A17-P21 WeakPolarHBondContact O-CG 3.36Å; L18-P21 WeakPolarHBondContact O-CD 3.31Å; L18-P21 WeakPolarHBondContact O-CG 3.48Å; P21-Q23 VanDerWaalsContact C-N 3.29Å; P21-Q23 PolarHBondContact O-N 2.87Å; P21-K24 PolarHBondContact O-N 2.87Å; P21-K24 VanDerWaalsContact O-N 3.08Å; P21-M25 PolarHBondContact O-N 3.35Å |
| 22 | T | 69.4 | Low | 71.2 | Confident | 63 Ų | 63 | 111.1 Ų | 111.1 | 39% | 0.387 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.7 | -38.9 | 175.4 | -52 | 0 | 0 | 0 | 0 | 110.9 | L18 L19 K24 M25 L26 | L18-T22 PolarHBondContact O-OG1 2.86Å; L19-T22 PolarHBondContact O-N 3.19Å; T22-K24 VanDerWaalsContact C-N 3.35Å; T22-K24 PolarHBondContact O-N 3.41Å; T22-M25 PolarHBondContact O-N 2.98Å; T22-L26 WeakPolarHBondContact O-CB 3.29Å; T22-L26 PolarHBondContact O-N 3.5Å |
| 23 | Q | 63.5 | Low | 70.1 | Confident | 111 Ų | 111 | 114.3 Ų | 114.3 | 52% | 0.519 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.8 | -34.3 | 173.1 | -67.7 | -77.6 | 64 | 0 | 0 | 112.2 | L19 P21 R27 | L19-Q23 HydrophobicContact CD1-CG 4.43Å; L19-Q23 HydrophobicContact CG-CG 4.26Å; L19-Q23 VanDerWaalsContact O-CG 3.29Å; L19-Q23 WeakPolarHBondContact O-CG 3.28Å; L19-Q23 PolarHBondContact O-N 3.49Å; P21-Q23 VanDerWaalsContact C-N 3.29Å; P21-Q23 PolarHBondContact O-N 2.87Å; Q23-R27 WeakPolarHBondContact O-CA 2.89Å; Q23-R27 PolarHBondContact O-N 3.32Å; Q23-R27 WeakPolarHBondContact O-CB 3.46Å |
| 24 | K | 65.9 | Low | 69.1 | Low | 170 Ų | 170 | 113.5 Ų | 113.5 | 74% | 0.739 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.3 | -34.6 | 174.6 | -74 | -169.2 | 178.6 | -176.1 | 0 | 112.8 | L20 P21 T22 | L20-K24 PolarHBondContact O-N 3.29Å; P21-K24 PolarHBondContact O-N 2.87Å; P21-K24 VanDerWaalsContact O-N 3.08Å; T22-K24 VanDerWaalsContact C-N 3.35Å; T22-K24 PolarHBondContact O-N 3.41Å |
| 25 | M | 64.1 | Low | 68.1 | Low | 169 Ų | 169 | 115.8 Ų | 115.8 | 83% | 0.833 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -78.3 | -34.9 | 179.6 | -166 | 168.5 | 82.2 | 0 | 0 | 112.4 | P21 T22 | P21-M25 PolarHBondContact O-N 3.35Å; T22-M25 PolarHBondContact O-N 2.98Å |
| 26 | L | 63.6 | Low | 67.1 | Low | 132 Ų | 132 | 117.1 Ų | 117.1 | 69% | 0.691 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -90.6 | -18.3 | 179.4 | -154.9 | 94.7 | 0 | 0 | 0 | 113.1 | T22 I28 | T22-L26 WeakPolarHBondContact O-CB 3.29Å; T22-L26 PolarHBondContact O-N 3.5Å; L26-I28 PolarHBondContact O-N 3.33Å |
| 27 | R | 60 | Low | 66.2 | Low | 178 Ų | 178 | 121.8 Ų | 121.8 | 67% | 0.672 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -69.4 | 92 | 164.3 | -171.9 | 177.8 | -157.8 | -146.1 | 5.6 | 105.8 | Q23 | Q23-R27 WeakPolarHBondContact O-CA 2.89Å; Q23-R27 PolarHBondContact O-N 3.32Å; Q23-R27 WeakPolarHBondContact O-CB 3.46Å |
| 28 | I | 62.8 | Low | 65.4 | Low | 142 Ų | 142 | 124.6 Ų | 124.6 | 73% | 0.728 | 63% | 0.627 | S | S | * | * | | | trans | -31.5 | 118.7 | 158.3 | -63.2 | 163.2 | 0 | 0 | 0 | 105.6 | L26 N30 | L26-I28 PolarHBondContact O-N 3.33Å; I28-N30 PolarHBondContact O-N 3.07Å |
| 29 | P | 60.1 | Low | 64.7 | Low | 68 Ų | 68 | 125 Ų | 125 | 44% | 0.442 | 63% | 0.628 | S | S | . | * | | | trans | -49.2 | 122.8 | -176.8 | 18.7 | -30.1 | 0 | 0 | 0 | 105.9 | L31 | P29-L31 PolarHBondContact O-N 3.4Š|
| 30 | N | 61.1 | Low | 63.9 | Low | 81 Ų | 81 | 126.5 Ų | 126.5 | 43% | 0.433 | 63% | 0.634 | S | S | . | * | | | trans | -48.5 | 135.4 | -179 | -169.5 | 16.7 | 0 | 0 | 0 | 106 | I28 I32 D33 L34 | I28-N30 PolarHBondContact O-N 3.07Å; N30-I32 CarbonylContact O-C 3.53Å; N30-I32 PolarHBondContact O-N 2.94Å; N30-D33 HydrophobicContact CB-CB 4.34Å; N30-D33 WeakPolarHBondContact O-CA 3.35Å; N30-D33 WeakPolarHBondContact O-CB 3.5Å; N30-D33 PolarHBondContact O-N 2.94Å; N30-L34 VanDerWaalsContact O-N 3.14Å; N30-L34 PolarHBondContact O-N 3Å |
| 31 | L | 62.7 | Low | 63.4 | Low | 137 Ų | 137 | 126.8 Ų | 126.8 | 72% | 0.717 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -53.8 | -21.9 | -176.7 | -73.4 | 164.4 | 0 | 0 | 0 | 112 | P29 K35 | P29-L31 PolarHBondContact O-N 3.4Å; L31-K35 WeakPolarHBondContact O-CB 3.27Å; L31-K35 PolarHBondContact O-N 3.42Å; L31-K35 VanDerWaalsContact O-N 3.09Å |
| 32 | I | 61 | Low | 63.2 | Low | 108 Ų | 108 | 130.4 Ų | 130.4 | 55% | 0.554 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.9 | -39 | 171.6 | -62.8 | 163.4 | 0 | 0 | 0 | 113 | N30 N36 | N30-I32 CarbonylContact O-C 3.53Å; N30-I32 PolarHBondContact O-N 2.94Å; I32-N36 PolarHBondContact O-N 3.11Å; I32-N36 PolarHBondContact O-ND2 3.47Å |
| 33 | D | 63.3 | Low | 62.8 | Low | 104 Ų | 104 | 134.9 Ų | 134.9 | 56% | 0.556 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.1 | -43.2 | 177.6 | -157.3 | -113.1 | 0 | 0 | 0 | 110.7 | N30 K35 N36 M37 | N30-D33 HydrophobicContact CB-CB 4.34Å; N30-D33 WeakPolarHBondContact O-CA 3.35Å; N30-D33 WeakPolarHBondContact O-CB 3.5Å; N30-D33 PolarHBondContact O-N 2.94Å; D33-K35 VanDerWaalsContact C-N 3.31Å; D33-K35 PolarHBondContact O-N 3.46Å; D33-N36 PolarHBondContact O-N 2.96Å; D33-M37 PolarHBondContact O-N 2.98Å |
| 34 | L | 63.8 | Low | 62.7 | Low | 102 Ų | 102 | 136.6 Ų | 136.6 | 53% | 0.534 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -66.1 | -31.3 | 174.4 | -175 | 63.5 | 0 | 0 | 0 | 113 | N30 N36 | N30-L34 VanDerWaalsContact O-N 3.14Å; N30-L34 PolarHBondContact O-N 3Å; L34-N36 VanDerWaalsContact C-N 3.3Å |
| 35 | K | 63.9 | Low | 62.5 | Low | 175 Ų | 175 | 134 Ų | 134 | 76% | 0.761 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -74.3 | -20.7 | 177.7 | 177 | 176.6 | 165.6 | -164.1 | 0 | 113.2 | L31 D33 | L31-K35 WeakPolarHBondContact O-CB 3.27Å; L31-K35 PolarHBondContact O-N 3.42Å; L31-K35 VanDerWaalsContact O-N 3.09Å; D33-K35 VanDerWaalsContact C-N 3.31Å; D33-K35 PolarHBondContact O-N 3.46Å |
| 36 | N | 63.4 | Low | 62.4 | Low | 133 Ų | 133 | 131.1 Ų | 131.1 | 71% | 0.711 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 5.7 | -178.8 | -71.5 | -54.8 | 0 | 0 | 0 | 113.1 | I32 D33 L34 | I32-N36 PolarHBondContact O-N 3.11Å; I32-N36 PolarHBondContact O-ND2 3.47Å; D33-N36 PolarHBondContact O-N 2.96Å; L34-N36 VanDerWaalsContact C-N 3.3Å |
| 37 | M | 62.7 | Low | 62.3 | Low | 213 Ų | 213 | 131 Ų | 131 | 100% | 1.049 | 65% | 0.651 | S | S | * | * | | | trans | -106.2 | 0 | 174.5 | -137.7 | 177.2 | -175.2 | 0 | 0 | 109.4 | D33 | D33-M37 PolarHBondContact O-N 2.98Š|