| 1 | M | 40.2 | Very low | 40.7 | Very low | 242 Ų | 242 | 142.5 Ų | 142.5 | 100% | 1.192 | 80% | 0.803 | S | S | * | * | | | | 0 | 114.4 | 0 | -70.1 | 171.7 | 171.6 | 0 | 0 | 107.5 | L3 | M1-L3 PolarHBondContact O-N 2.85Š|
| 2 | S | 34.6 | Very low | 41.3 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | -89.6 | 108.4 | -177.6 | -57.3 | 0 | 0 | 0 | 0 | 110 | N4 | S2-N4 PolarHBondContact O-N 2.61Š|
| 3 | L | 40.1 | Very low | 41.3 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | | | trans | -70.5 | 95.2 | 168.3 | -82.2 | 163.7 | 0 | 0 | 0 | 108.5 | M1 K5 | M1-L3 PolarHBondContact O-N 2.85Å; L3-K5 PolarHBondContact O-N 3.42Å |
| 4 | N | 41.4 | Very low | 41.5 | Very low | 150 Ų | 150 | 128 Ų | 128 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | | | trans | -63.8 | 85.6 | 165.8 | -78.2 | -4.6 | 0 | 0 | 0 | 108.5 | S2 S6 | S2-N4 PolarHBondContact O-N 2.61Å; N4-S6 PolarHBondContact O-N 2.99Å |
| 5 | K | 43.1 | Very low | 41.7 | Very low | 184 Ų | 184 | 129.7 Ų | 129.7 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | | | trans | -63.2 | 89.2 | 165 | -71.6 | -176 | 177.1 | -177.4 | 0 | 107 | L3 N7 | L3-K5 PolarHBondContact O-N 3.42Å; K5-N7 PolarHBondContact O-N 3.38Å |
| 6 | S | 42.9 | Very low | 42 | Very low | 89 Ų | 89 | 127.1 Ų | 127.1 | 62% | 0.622 | 72% | 0.724 | S | S | * | * | | | trans | -58.3 | 121.9 | 167.2 | 43.8 | 0 | 0 | 0 | 0 | 107.4 | N4 K8 | N4-S6 PolarHBondContact O-N 2.99Å; S6-K8 PolarHBondContact O-N 2.64Å |
| 7 | N | 41.4 | Very low | 41.8 | Very low | 163 Ų | 163 | 128.4 Ų | 128.4 | 87% | 0.872 | 72% | 0.716 | S | S | * | * | | | trans | -66.1 | 84.5 | 169.4 | -78 | -20.9 | 0 | 0 | 0 | 107.3 | K5 S9 | K5-N7 PolarHBondContact O-N 3.38Å; N7-S9 PolarHBondContact O-N 3.16Å |
| 8 | K | 42.3 | Very low | 41.3 | Very low | 173 Ų | 173 | 127 Ų | 127 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | | | trans | -61.3 | 106.7 | 164 | -69 | -167.8 | 175 | -164.6 | 0 | 105.9 | S6 | S6-K8 PolarHBondContact O-N 2.64Š|
| 9 | S | 41.9 | Very low | 40.9 | Very low | 86 Ų | 86 | 128.7 Ų | 128.7 | 60% | 0.601 | 72% | 0.717 | S | S | * | * | | | trans | -43.8 | 147.9 | 159.7 | 44.3 | 0 | 0 | 0 | 0 | 109.2 | N7 C11 | N7-S9 PolarHBondContact O-N 3.16Å; S9-C11 PolarHBondContact O-N 3.12Å; S9-C11 PolarHBondContact OG-SG 3.11Å |
| 10 | A | 40.8 | Very low | 40.6 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 88% | 0.884 | 71% | 0.709 | S | S | * | * | | | trans | -70.9 | 63.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I12 | A10-I12 PolarHBondContact O-N 2.92Å; A10-I12 VanDerWaalsContact O-N 3.16Å |
| 11 | C | 39.4 | Very low | 40.4 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 68% | 0.676 | 71% | 0.709 | S | S | * | * | | | trans | -66.8 | 110.1 | 170.7 | -64.7 | 0 | 0 | 0 | 0 | 107.5 | S9 | S9-C11 PolarHBondContact O-N 3.12Å; S9-C11 PolarHBondContact OG-SG 3.11Å |
| 12 | I | 47.5 | Very low | 40.4 | Very low | 76 Ų | 76 | 125 Ų | 125 | 39% | 0.39 | 69% | 0.688 | S | S | . | * | | | trans | -46.7 | 131.9 | 168 | -60.5 | 166.9 | 0 | 0 | 0 | 107.7 | A10 A14 I16 Y17 L37 | A10-I12 PolarHBondContact O-N 2.92Å; A10-I12 VanDerWaalsContact O-N 3.16Å; I12-A14 PolarHBondContact O-N 3.29Å; I12-I16 HydrophobicContact CG2-CB 4.15Å; I12-I16 HydrophobicContact CG2-CD1 4.03Å; I12-I16 HydrophobicContact CG2-CG2 4.43Å; I12-Y17 HydrophobicContact CG2-CD2 4.33Å; I12-L37 HydrophobicContact CD1-CD1 4.11Å; I12-L37 HydrophobicContact CD1-CD2 4.25Å |
| 13 | P | 41.3 | Very low | 41 | Very low | 76 Ų | 76 | 127.8 Ų | 127.8 | 49% | 0.494 | 69% | 0.694 | S | S | . | * | | | trans | -53.1 | 128.7 | 178 | -26.7 | 34 | 0 | 0 | 0 | 111.1 | N15 I16 | P13-N15 PolarHBondContact O-N 3.04Å; P13-I16 HydrophobicContact CB-CD1 4.42Å; P13-I16 HydrophobicContact CB-CG1 4.38Å; P13-I16 HydrophobicContact CG-CD1 4.29Å; P13-I16 WeakPolarHBondContact O-CB 3.38Å; P13-I16 PolarHBondContact O-N 3.21Å |
| 14 | A | 44.1 | Very low | 41.2 | Very low | 72 Ų | 72 | 129.1 Ų | 129.1 | 60% | 0.595 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -58.1 | -24.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I12 I16 Y17 C18 | I12-A14 PolarHBondContact O-N 3.29Å; A14-I16 PolarHBondContact O-N 3.15Å; A14-Y17 CarbonylContact O-C 3.39Å; A14-Y17 WeakPolarHBondContact O-CA 3.15Å; A14-Y17 PolarHBondContact O-N 3.12Å; A14-C18 PolarHBondContact O-N 2.97Å |
| 15 | N | 44.2 | Very low | 41.6 | Very low | 154 Ų | 154 | 128.2 Ų | 128.2 | 82% | 0.824 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -60.7 | -15.3 | 172.5 | -53.5 | 65 | 0 | 0 | 0 | 114.4 | P13 Y17 | P13-N15 PolarHBondContact O-N 3.04Å; N15-Y17 VanDerWaalsContact C-N 3.31Å |
| 16 | I | 47.3 | Very low | 42.3 | Very low | 88 Ų | 88 | 125.3 Ų | 125.3 | 45% | 0.451 | 66% | 0.664 | S | S | . | * | G | 310 helix | trans | -86.9 | -7.7 | 172.3 | -55.8 | 179.6 | 0 | 0 | 0 | 110.8 | I12 P13 A14 L33 | I12-I16 HydrophobicContact CG2-CB 4.15Å; I12-I16 HydrophobicContact CG2-CD1 4.03Å; I12-I16 HydrophobicContact CG2-CG2 4.43Å; P13-I16 HydrophobicContact CB-CD1 4.42Å; P13-I16 HydrophobicContact CB-CG1 4.38Å; P13-I16 HydrophobicContact CG-CD1 4.29Å; P13-I16 WeakPolarHBondContact O-CB 3.38Å; P13-I16 PolarHBondContact O-N 3.21Å; A14-I16 PolarHBondContact O-N 3.15Å; I16-L33 HydrophobicContact CG2-CD1 3.83Å |
| 17 | Y | 37.9 | Very low | 43.2 | Very low | 148 Ų | 148 | 127 Ų | 127 | 58% | 0.58 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -130.9 | 7.1 | -165.9 | -106.6 | -75.5 | 0 | 0 | 0 | 114.9 | I12 A14 N15 | I12-Y17 HydrophobicContact CG2-CD2 4.33Å; A14-Y17 CarbonylContact O-C 3.39Å; A14-Y17 WeakPolarHBondContact O-CA 3.15Å; A14-Y17 PolarHBondContact O-N 3.12Å; N15-Y17 VanDerWaalsContact C-N 3.31Å |
| 18 | C | 33.1 | Very low | 44.3 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 70% | 0.703 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -150.4 | 57.6 | 179.2 | -150.3 | 0 | 0 | 0 | 0 | 114.5 | A14 | A14-C18 PolarHBondContact O-N 2.97Š|
| 19 | E | 34.3 | Very low | 45.3 | Very low | 159 Ų | 159 | 117.8 Ų | 117.8 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -153.8 | 157.4 | 151.8 | -109 | 169.2 | -132.9 | 0 | 0 | 106.6 | | |
| 20 | Y | 33.4 | Very low | 46.4 | Very low | 142 Ų | 142 | 116.1 Ų | 116.1 | 56% | 0.557 | 61% | 0.611 | S | S | * | * | | | trans | 63.4 | 34.3 | -177 | -55.9 | -85.3 | 0 | 0 | 0 | 117.6 | H22 R24 | Y20-H22 PolarHBondContact O-N 2.94Å; Y20-R24 WeakPolarHBondContact CB-O 3.38Å |
| 21 | T | 37.4 | Very low | 47.6 | Very low | 116 Ų | 116 | 118.9 Ų | 118.9 | 71% | 0.712 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 63 | 162.7 | 56 | 0 | 0 | 0 | 0 | 112.2 | | |
| 22 | H | 39.4 | Very low | 49 | Very low | 163 Ų | 163 | 117.9 Ų | 117.9 | 76% | 0.755 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169.1 | 90.5 | 166.6 | -88.5 | 116.3 | 0 | 0 | 0 | 109.7 | Y20 R24 | Y20-H22 PolarHBondContact O-N 2.94Å; H22-R24 PolarHBondContact O-N 3.48Å |
| 23 | D | 48.6 | Very low | 49.8 | Very low | 173 Ų | 173 | 115.1 Ų | 115.1 | 93% | 0.925 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.4 | 14.9 | 165.6 | -56.4 | -25.4 | 0 | 0 | 0 | 118.6 | | |
| 24 | R | 44.2 | Very low | 51.1 | Low | 188 Ų | 188 | 116.1 Ų | 116.1 | 71% | 0.709 | 57% | 0.57 | S | S | * | * | | | trans | -137.9 | 71.1 | -178.3 | -76.6 | -170.4 | -80.8 | -176.6 | -7.1 | 112.3 | Y20 H22 Q26 | Y20-R24 WeakPolarHBondContact CB-O 3.38Å; H22-R24 PolarHBondContact O-N 3.48Å; R24-Q26 PolarHBondContact O-N 3.09Å |
| 25 | Y | 49.9 | Very low | 52.5 | Low | 131 Ų | 131 | 119.8 Ų | 119.8 | 51% | 0.514 | 57% | 0.573 | S | S | . | * | | | trans | -58.4 | 118.7 | 143.8 | -65.8 | -77.6 | 0 | 0 | 0 | 107.2 | L30 L33 P42 | Y25-L30 HydrophobicContact CD1-CD2 4.12Å; Y25-L30 HydrophobicContact CD2-CD2 3.8Å; Y25-L30 HydrophobicContact CG-CD2 3.53Å; Y25-L30 HydrophobicContact CG-CG 4.33Å; Y25-L33 HydrophobicContact CD1-CD2 4.4Å; Y25-L33 HydrophobicContact CE1-CD2 3.77Å; Y25-P42 HydrophobicContact CD2-CB 4.38Å; Y25-P42 HydrophobicContact CE2-CB 4.08Å |
| 26 | Q | 56.5 | Low | 53.7 | Low | 124 Ų | 124 | 119.8 Ų | 119.8 | 58% | 0.579 | 56% | 0.563 | S | S | * | * | | | trans | -67.6 | 149.9 | 165.2 | -61.8 | -165.3 | 16.2 | 0 | 0 | 108.9 | R24 E28 G29 L30 | R24-Q26 PolarHBondContact O-N 3.09Å; Q26-E28 PolarHBondContact O-N 3.03Å; Q26-E28 VanDerWaalsContact O-N 3.12Å; Q26-G29 VanDerWaalsContact O-CA 3.31Å; Q26-G29 WeakPolarHBondContact O-CA 3.36Å; Q26-G29 PolarHBondContact O-N 2.9Å; Q26-L30 PolarHBondContact O-N 2.82Å |
| 27 | D | 62.7 | Low | 54.6 | Low | 125 Ų | 125 | 117.8 Ų | 117.8 | 67% | 0.668 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -54.4 | -37.7 | -175.5 | -63 | -53.1 | 0 | 0 | 0 | 112.5 | G29 L30 R31 | D27-G29 VanDerWaalsContact C-N 3.31Å; D27-G29 PolarHBondContact O-N 3.16Å; D27-L30 WeakPolarHBondContact O-CB 3.08Å; D27-L30 PolarHBondContact O-N 3.15Å; D27-R31 VanDerWaalsContact O-CG 3.23Å; D27-R31 WeakPolarHBondContact O-CG 3.4Å; D27-R31 PolarHBondContact O-N 2.92Å |
| 28 | E | 64.7 | Low | 55.8 | Low | 114 Ų | 114 | 114 Ų | 114 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.7 | -34.9 | 177 | -153.1 | 60.2 | -161.8 | 0 | 0 | 112 | Q26 R31 L32 | Q26-E28 PolarHBondContact O-N 3.03Å; Q26-E28 VanDerWaalsContact O-N 3.12Å; E28-R31 PolarHBondContact O-N 2.77Å; E28-R31 IonicContact OE2-NH1 3.68Å; E28-L32 WeakPolarHBondContact O-CB 3.47Å; E28-L32 WeakPolarHBondContact O-CD1 3.21Å; E28-L32 WeakPolarHBondContact O-CG 3.48Å; E28-L32 PolarHBondContact O-N 3.12Å |
| 29 | G | 63.8 | Low | 57.1 | Low | 27 Ų | 27 | 118.1 Ų | 118.1 | 28% | 0.278 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q26 D27 L32 L33 | Q26-G29 VanDerWaalsContact O-CA 3.31Å; Q26-G29 WeakPolarHBondContact O-CA 3.36Å; Q26-G29 PolarHBondContact O-N 2.9Å; D27-G29 VanDerWaalsContact C-N 3.31Å; D27-G29 PolarHBondContact O-N 3.16Å; G29-L32 PolarHBondContact O-N 3.2Å; G29-L33 WeakPolarHBondContact O-CB 3.23Å; G29-L33 PolarHBondContact O-N 3.49Å |
| 30 | L | 63.2 | Low | 58.2 | Low | 51 Ų | 51 | 111.4 Ų | 111.4 | 27% | 0.267 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 172.6 | -65.1 | 177.3 | 0 | 0 | 0 | 111.4 | Y25 Q26 D27 L33 E34 P42 | Y25-L30 HydrophobicContact CD1-CD2 4.12Å; Y25-L30 HydrophobicContact CD2-CD2 3.8Å; Y25-L30 HydrophobicContact CG-CD2 3.53Å; Y25-L30 HydrophobicContact CG-CG 4.33Å; Q26-L30 PolarHBondContact O-N 2.82Å; D27-L30 WeakPolarHBondContact O-CB 3.08Å; D27-L30 PolarHBondContact O-N 3.15Å; L30-L33 WeakPolarHBondContact O-CB 3.39Å; L30-L33 PolarHBondContact O-N 3.41Å; L30-E34 PolarHBondContact O-N 3.1Å; L30-P42 HydrophobicContact CD2-CB 3.39Å; L30-P42 HydrophobicContact CD2-CG 3.72Å |
| 31 | R | 66.9 | Low | 59.4 | Low | 165 Ų | 165 | 105.7 Ų | 105.7 | 62% | 0.623 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.8 | -36.8 | 180 | -67.1 | 172.4 | 90.9 | -178.4 | 11.6 | 112 | D27 E28 K35 | D27-R31 VanDerWaalsContact O-CG 3.23Å; D27-R31 WeakPolarHBondContact O-CG 3.4Å; D27-R31 PolarHBondContact O-N 2.92Å; E28-R31 PolarHBondContact O-N 2.77Å; E28-R31 IonicContact OE2-NH1 3.68Å; R31-K35 WeakPolarHBondContact O-CB 3.32Å; R31-K35 PolarHBondContact O-N 3.24Å |
| 32 | L | 69.6 | Low | 60.3 | Low | 79 Ų | 79 | 101.6 Ų | 101.6 | 41% | 0.414 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 170.6 | -71.5 | 164.1 | 0 | 0 | 0 | 111.1 | E28 G29 K35 Y36 | E28-L32 WeakPolarHBondContact O-CB 3.47Å; E28-L32 WeakPolarHBondContact O-CD1 3.21Å; E28-L32 WeakPolarHBondContact O-CG 3.48Å; E28-L32 PolarHBondContact O-N 3.12Å; G29-L32 PolarHBondContact O-N 3.2Å; L32-K35 PolarHBondContact O-N 2.97Å; L32-Y36 HydrophobicContact CD2-CD2 4.36Å; L32-Y36 HydrophobicContact CD2-CE2 3.79Å; L32-Y36 WeakPolarHBondContact O-CB 3.16Å; L32-Y36 VanDerWaalsContact O-CD2 3.22Å; L32-Y36 WeakPolarHBondContact O-CD2 3.48Å; L32-Y36 PolarHBondContact O-N 3.18Å |
| 33 | L | 63.2 | Low | 60.9 | Low | 19 Ų | 19 | 102.2 Ų | 102.2 | 10% | 0.099 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -59.5 | -50.8 | 175.2 | -113.8 | 61.2 | 0 | 0 | 0 | 112.2 | I16 Y25 G29 L30 K35 Y36 L37 L40 P42 | I16-L33 HydrophobicContact CG2-CD1 3.83Å; Y25-L33 HydrophobicContact CD1-CD2 4.4Å; Y25-L33 HydrophobicContact CE1-CD2 3.77Å; G29-L33 WeakPolarHBondContact O-CB 3.23Å; G29-L33 PolarHBondContact O-N 3.49Å; L30-L33 WeakPolarHBondContact O-CB 3.39Å; L30-L33 PolarHBondContact O-N 3.41Å; L33-K35 VanDerWaalsContact C-N 3.33Å; L33-K35 PolarHBondContact O-N 3.1Å; L33-Y36 PolarHBondContact O-N 3.33Å; L33-L37 CarbonylContact O-C 3.44Å; L33-L37 WeakPolarHBondContact O-CA 3.45Å; L33-L37 WeakPolarHBondContact O-CB 3.3Å; L33-L37 PolarHBondContact O-N 3.31Å; L33-L40 HydrophobicContact CD2-CD2 3.58Å; L33-L40 HydrophobicContact CG-CD2 3.74Å; L33-P42 HydrophobicContact CD2-CB 4.41Å |
| 34 | E | 68.7 | Low | 61.3 | Low | 96 Ų | 96 | 98.6 Ų | 98.6 | 45% | 0.449 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.6 | -33.1 | -179.2 | -168.6 | 167 | -131.6 | 0 | 0 | 112.2 | L30 R47 | L30-E34 PolarHBondContact O-N 3.1Å; E34-R47 IonicContact OE1-CZ 2.78Å; E34-R47 VanDerWaalsContact OE1-CZ 3.28Å; E34-R47 IonicContact OE1-NH1 3.86Å; E34-R47 PolarHBondContact OE1-NH1 3.18Å; E34-R47 IonicContact OE1-NH2 2.76Å; E34-R47 PolarHBondContact OE1-NH2 2.87Å |
| 35 | K | 73.1 | Confident | 61.8 | Low | 149 Ų | 149 | 91.2 Ų | 91.2 | 65% | 0.648 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -68.5 | -42 | 175.4 | -179.7 | -177.5 | 179.9 | -175.4 | 0 | 113.5 | R31 L32 L33 | R31-K35 WeakPolarHBondContact O-CB 3.32Å; R31-K35 PolarHBondContact O-N 3.24Å; L32-K35 PolarHBondContact O-N 2.97Å; L33-K35 VanDerWaalsContact C-N 3.33Å; L33-K35 PolarHBondContact O-N 3.1Å |
| 36 | Y | 69.3 | Low | 61.7 | Low | 155 Ų | 155 | 87.1 Ų | 87.1 | 61% | 0.608 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -94.4 | -23.4 | -176.6 | -71.3 | -65.1 | 0 | 0 | 0 | 113.7 | L32 L33 | L32-Y36 HydrophobicContact CD2-CD2 4.36Å; L32-Y36 HydrophobicContact CD2-CE2 3.79Å; L32-Y36 WeakPolarHBondContact O-CB 3.16Å; L32-Y36 VanDerWaalsContact O-CD2 3.22Å; L32-Y36 WeakPolarHBondContact O-CD2 3.48Å; L32-Y36 PolarHBondContact O-N 3.18Å; L33-Y36 PolarHBondContact O-N 3.33Å |
| 37 | L | 67.1 | Low | 60.9 | Low | 46 Ų | 46 | 86.1 Ų | 86.1 | 24% | 0.241 | 42% | 0.419 | C | S | . | . | | | trans | -136.9 | 69.4 | -177.1 | -57.5 | 170.2 | 0 | 0 | 0 | 110.4 | I12 L33 Y39 L40 | I12-L37 HydrophobicContact CD1-CD1 4.11Å; I12-L37 HydrophobicContact CD1-CD2 4.25Å; L33-L37 CarbonylContact O-C 3.44Å; L33-L37 WeakPolarHBondContact O-CA 3.45Å; L33-L37 WeakPolarHBondContact O-CB 3.3Å; L33-L37 PolarHBondContact O-N 3.31Å; L37-Y39 PolarHBondContact O-N 3.07Å; L37-L40 HydrophobicContact CB-CB 3.79Å; L37-L40 HydrophobicContact CD1-CD1 4.47Å; L37-L40 HydrophobicContact CD1-CD2 4.14Å; L37-L40 WeakPolarHBondContact O-CB 3.1Å; L37-L40 PolarHBondContact O-N 3.15Å |
| 38 | P | 63 | Low | 59.9 | Low | 67 Ų | 67 | 86.2 Ų | 86.2 | 44% | 0.435 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -12.2 | -179.5 | 26 | -35.9 | 0 | 0 | 0 | 114.5 | | |
| 39 | Y | 60.3 | Low | 58.7 | Low | 191 Ų | 191 | 87.9 Ų | 87.9 | 75% | 0.749 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 5 | 171.7 | -46.9 | -72.7 | 0 | 0 | 0 | 113.1 | L37 R47 | L37-Y39 PolarHBondContact O-N 3.07Å; Y39-R47 PolarHBondContact O-N 3.41Å |
| 40 | L | 57.7 | Low | 57.5 | Low | 19 Ų | 19 | 90.2 Ų | 90.2 | 10% | 0.099 | 43% | 0.425 | C | S | . | . | | | trans | -96.7 | 142.5 | 172.3 | -148.1 | 82.6 | 0 | 0 | 0 | 109.1 | L33 L37 G45 L46 | L33-L40 HydrophobicContact CD2-CD2 3.58Å; L33-L40 HydrophobicContact CG-CD2 3.74Å; L37-L40 HydrophobicContact CB-CB 3.79Å; L37-L40 HydrophobicContact CD1-CD1 4.47Å; L37-L40 HydrophobicContact CD1-CD2 4.14Å; L37-L40 WeakPolarHBondContact O-CB 3.1Å; L37-L40 PolarHBondContact O-N 3.15Å; L40-G45 WeakPolarHBondContact CD1-O 3.34Å; L40-G45 WeakPolarHBondContact CG-O 3.41Å; L40-L46 HydrophobicContact CD1-CD2 4.09Å |
| 41 | N | 59.2 | Low | 56.6 | Low | 22 Ų | 22 | 91.9 Ų | 91.9 | 12% | 0.118 | 43% | 0.434 | C | S | . | . | | | trans | -108.3 | 123 | 161.5 | -165.1 | 19.8 | 0 | 0 | 0 | 105.5 | E43 T44 G45 L46 R47 | N41-E43 PolarHBondContact O-N 2.62Å; N41-T44 VanDerWaalsContact CB-OG1 3.23Å; N41-T44 WeakPolarHBondContact CB-OG1 3.47Å; N41-T44 PolarHBondContact ND2-N 3.48Å; N41-T44 PolarHBondContact ND2-OG1 3.01Å; N41-G45 CarbonylContact O-C 2.93Å; N41-G45 WeakPolarHBondContact O-CA 3.31Å; N41-G45 PolarHBondContact O-N 2.9Å; N41-L46 VanDerWaalsContact CB-C 3.46Å; N41-L46 WeakPolarHBondContact CB-O 3.42Å; N41-L46 VanDerWaalsContact N-C 3.28Å; N41-L46 PolarHBondContact O-N 3.37Å; N41-R47 HydrophobicContact CB-CB 4.45Å; N41-R47 HydrophobicContact CB-CG 3.59Å; N41-R47 VanDerWaalsContact N-N 3.13Å |
| 42 | P | 55.2 | Low | 55.6 | Low | 30 Ų | 30 | 86.6 Ų | 86.6 | 20% | 0.195 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -59.9 | -32.8 | 174.8 | 21.9 | -32.1 | 0 | 0 | 0 | 112.1 | Y25 L30 L33 | Y25-P42 HydrophobicContact CD2-CB 4.38Å; Y25-P42 HydrophobicContact CE2-CB 4.08Å; L30-P42 HydrophobicContact CD2-CB 3.39Å; L30-P42 HydrophobicContact CD2-CG 3.72Å; L33-P42 HydrophobicContact CD2-CB 4.41Å |
| 43 | E | 53.1 | Low | 54.1 | Low | 176 Ų | 176 | 88.3 Ų | 88.3 | 82% | 0.822 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -76.4 | -50 | -178.4 | -58.1 | 177.6 | 151.9 | 0 | 0 | 113.7 | N41 G45 | N41-E43 PolarHBondContact O-N 2.62Å; E43-G45 VanDerWaalsContact C-N 3.35Å |
| 44 | T | 56.2 | Low | 53.3 | Low | 97 Ų | 97 | 89.4 Ų | 89.4 | 60% | 0.595 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -98 | 16.7 | -178.6 | 61.9 | 0 | 0 | 0 | 0 | 112.7 | N41 L46 | N41-T44 VanDerWaalsContact CB-OG1 3.23Å; N41-T44 WeakPolarHBondContact CB-OG1 3.47Å; N41-T44 PolarHBondContact ND2-N 3.48Å; N41-T44 PolarHBondContact ND2-OG1 3.01Å; T44-L46 PolarHBondContact O-N 3.17Å; T44-L46 PolarHBondContact OG1-O 2.68Å |
| 45 | G | 53.9 | Low | 52.3 | Low | 32 Ų | 32 | 89.8 Ų | 89.8 | 33% | 0.33 | 44% | 0.438 | S | S | . | . | S | Bend | trans | 64.3 | -20.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L40 N41 E43 | L40-G45 WeakPolarHBondContact CD1-O 3.34Å; L40-G45 WeakPolarHBondContact CG-O 3.41Å; N41-G45 CarbonylContact O-C 2.93Å; N41-G45 WeakPolarHBondContact O-CA 3.31Å; N41-G45 PolarHBondContact O-N 2.9Å; E43-G45 VanDerWaalsContact C-N 3.35Å |
| 46 | L | 47.8 | Very low | 51.1 | Low | 46 Ų | 46 | 88.4 Ų | 88.4 | 24% | 0.241 | 44% | 0.442 | C | S | . | . | | | trans | -155.5 | 130.2 | -164 | -60.7 | 169.9 | 0 | 0 | 0 | 111.9 | L40 N41 T44 R49 | L40-L46 HydrophobicContact CD1-CD2 4.09Å; N41-L46 VanDerWaalsContact CB-C 3.46Å; N41-L46 WeakPolarHBondContact CB-O 3.42Å; N41-L46 VanDerWaalsContact N-C 3.28Å; N41-L46 PolarHBondContact O-N 3.37Å; T44-L46 PolarHBondContact O-N 3.17Å; T44-L46 PolarHBondContact OG1-O 2.68Å; L46-R49 HydrophobicContact CB-CB 4.33Å; L46-R49 HydrophobicContact CB-CG 4.27Å; L46-R49 HydrophobicContact CD1-CB 3.94Å; L46-R49 HydrophobicContact CD1-CG 3.85Å; L46-R49 HydrophobicContact CD2-CG 3.93Å; L46-R49 VanDerWaalsContact CD2-NE 3.32Å; L46-R49 HydrophobicContact CG-CG 4.22Å |
| 47 | R | 40.7 | Very low | 49.9 | Very low | 102 Ų | 102 | 85 Ų | 85 | 39% | 0.385 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -95.8 | 116.6 | 164.1 | -78.4 | -169.2 | -178.3 | 150.4 | 5 | 107.9 | E34 Y39 N41 | E34-R47 IonicContact OE1-CZ 2.78Å; E34-R47 VanDerWaalsContact OE1-CZ 3.28Å; E34-R47 IonicContact OE1-NH1 3.86Å; E34-R47 PolarHBondContact OE1-NH1 3.18Å; E34-R47 IonicContact OE1-NH2 2.76Å; E34-R47 PolarHBondContact OE1-NH2 2.87Å; Y39-R47 PolarHBondContact O-N 3.41Å; N41-R47 HydrophobicContact CB-CB 4.45Å; N41-R47 HydrophobicContact CB-CG 3.59Å; N41-R47 VanDerWaalsContact N-N 3.13Å |
| 48 | N | 41.1 | Very low | 48.9 | Very low | 128 Ų | 128 | 84.8 Ų | 84.8 | 68% | 0.684 | 45% | 0.446 | S | S | * | . | S | Bend | trans | 63.7 | 36.5 | 171.1 | -48.4 | -38.5 | 0 | 0 | 0 | 116.7 | M50 M87 | N48-M50 VanDerWaalsContact C-N 3.28Å; N48-M50 PolarHBondContact O-N 3.19Å; N48-M87 HydrophobicContact CB-CE 4.38Å |
| 49 | R | 40.4 | Very low | 47.8 | Very low | 148 Ų | 148 | 88 Ų | 88 | 56% | 0.558 | 46% | 0.459 | S | S | * | . | | | trans | -71.4 | 86.9 | 164.2 | -88.2 | -150.4 | -160.5 | 147.5 | 6.4 | 111.4 | L46 I51 | L46-R49 HydrophobicContact CB-CB 4.33Å; L46-R49 HydrophobicContact CB-CG 4.27Å; L46-R49 HydrophobicContact CD1-CB 3.94Å; L46-R49 HydrophobicContact CD1-CG 3.85Å; L46-R49 HydrophobicContact CD2-CG 3.93Å; L46-R49 VanDerWaalsContact CD2-NE 3.32Å; L46-R49 HydrophobicContact CG-CG 4.22Å; R49-I51 HydrophobicContact CG-CD1 4.06Å; R49-I51 HydrophobicContact CG-CG1 4.31Å |
| 50 | M | 37.5 | Very low | 46.9 | Very low | 76 Ų | 76 | 81.2 Ų | 81.2 | 37% | 0.374 | 45% | 0.447 | S | S | . | . | | | trans | -119.9 | 57.6 | 146.6 | -156.1 | -169.9 | 73.5 | 0 | 0 | 109.4 | N48 T52 R82 | N48-M50 VanDerWaalsContact C-N 3.28Å; N48-M50 PolarHBondContact O-N 3.19Å; M50-T52 HydrophobicContact CE-CG2 4.15Å; M50-T52 HydrophobicContact CG-CG2 4.16Å; M50-T52 PolarHBondContact O-N 3.05Å; M50-R82 HydrophobicContact CE-CB 4.01Å; M50-R82 HydrophobicContact SD-CB 3.77Å |
| 51 | I | 45.6 | Very low | 46.5 | Very low | 86 Ų | 86 | 86.5 Ų | 86.5 | 44% | 0.441 | 48% | 0.476 | S | S | . | . | | | trans | -73.1 | 78 | 175.7 | -56.9 | 179.1 | 0 | 0 | 0 | 107.9 | R49 R53 P55 L62 | R49-I51 HydrophobicContact CG-CD1 4.06Å; R49-I51 HydrophobicContact CG-CG1 4.31Å; I51-R53 VanDerWaalsContact C-N 3.34Å; I51-R53 WeakPolarHBondContact CG2-O 3.5Å; I51-P55 HydrophobicContact CG2-CB 4.42Å; I51-L62 HydrophobicContact CG2-CD1 4Å; I51-L62 WeakPolarHBondContact O-CD1 3.42Å |
| 52 | T | 44.1 | Very low | 46.1 | Very low | 55 Ų | 55 | 88.3 Ų | 88.3 | 34% | 0.337 | 49% | 0.485 | S | S | . | . | | | trans | -76 | -26.2 | 172.8 | 41.5 | 0 | 0 | 0 | 0 | 112.2 | M50 L62 | M50-T52 HydrophobicContact CE-CG2 4.15Å; M50-T52 HydrophobicContact CG-CG2 4.16Å; M50-T52 PolarHBondContact O-N 3.05Å; T52-L62 PolarHBondContact O-N 3.42Å |
| 53 | R | 40 | Very low | 46 | Very low | 114 Ų | 114 | 95 Ų | 95 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | B | Isolated β-bridge | trans | -111.7 | 151.9 | -179.1 | -53.8 | -167.2 | 177 | 114.9 | 5.6 | 110.9 | I51 G58 G60 | I51-R53 VanDerWaalsContact C-N 3.34Å; I51-R53 WeakPolarHBondContact CG2-O 3.5Å; R53-G58 WeakPolarHBondContact CD-O 3.42Å; R53-G60 VanDerWaalsContact CA-O 3.26Å; R53-G60 WeakPolarHBondContact CA-O 3.18Å; R53-G60 WeakPolarHBondContact CB-O 3.22Å; R53-G60 WeakPolarHBondContact CG-O 3.46Å |
| 54 | D | 44.6 | Very low | 46.1 | Very low | 43 Ų | 43 | 88.9 Ų | 88.9 | 23% | 0.23 | 49% | 0.493 | C | S | . | . | | | trans | -52.3 | 125.4 | -179.6 | 159 | 40.5 | 0 | 0 | 0 | 111.4 | V56 T57 G58 L62 | D54-V56 PolarHBondContact O-N 3.1Å; D54-V56 VanDerWaalsContact O-N 3.15Å; D54-V56 WeakPolarHBondContact OD1-CB 3.4Å; D54-V56 PolarHBondContact OD1-N 3.09Å; D54-T57 PolarHBondContact O-N 2.83Å; D54-T57 VanDerWaalsContact OD2-CB 3.29Å; D54-T57 WeakPolarHBondContact OD2-CB 3.46Å; D54-T57 VanDerWaalsContact OD2-CG2 3.28Å; D54-T57 WeakPolarHBondContact OD2-CG2 3.25Å; D54-T57 PolarHBondContact OD2-N 3.36Å; D54-T57 PolarHBondContact OD2-OG1 3.44Å; D54-G58 WeakPolarHBondContact O-CA 3.28Å; D54-G58 PolarHBondContact O-N 3.43Å; D54-L62 HydrophobicContact CB-CD2 4.4Å |
| 55 | P | 47.5 | Very low | 46.3 | Very low | 103 Ų | 103 | 89.3 Ų | 89.3 | 67% | 0.669 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -11.3 | -179.5 | 28.6 | -36.5 | 0 | 0 | 0 | 114.1 | I51 | I51-P55 HydrophobicContact CG2-CB 4.42Š|
| 56 | V | 49.3 | Very low | 45.9 | Very low | 121 Ų | 121 | 94.4 Ų | 94.4 | 73% | 0.733 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -36.7 | 176.7 | -174.8 | 0 | 0 | 0 | 0 | 112.3 | D54 | D54-V56 PolarHBondContact O-N 3.1Å; D54-V56 VanDerWaalsContact O-N 3.15Å; D54-V56 WeakPolarHBondContact OD1-CB 3.4Å; D54-V56 PolarHBondContact OD1-N 3.09Å |
| 57 | T | 44.7 | Very low | 46.3 | Very low | 82 Ų | 82 | 93.1 Ų | 93.1 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -17.7 | -175.4 | 60.7 | 0 | 0 | 0 | 0 | 115.3 | D54 L59 | D54-T57 PolarHBondContact O-N 2.83Å; D54-T57 VanDerWaalsContact OD2-CB 3.29Å; D54-T57 WeakPolarHBondContact OD2-CB 3.46Å; D54-T57 VanDerWaalsContact OD2-CG2 3.28Å; D54-T57 WeakPolarHBondContact OD2-CG2 3.25Å; D54-T57 PolarHBondContact OD2-N 3.36Å; D54-T57 PolarHBondContact OD2-OG1 3.44Å; T57-L59 WeakPolarHBondContact O-CG 3.48Å; T57-L59 PolarHBondContact O-N 2.99Å; T57-L59 VanDerWaalsContact O-N 3.16Å; T57-L59 PolarHBondContact OG1-O 2.87Å |
| 58 | G | 45.6 | Very low | 46.2 | Very low | 43 Ų | 43 | 93.4 Ų | 93.4 | 44% | 0.443 | 51% | 0.506 | S | S | . | . | S | Bend | trans | 65 | 8.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R53 D54 | R53-G58 WeakPolarHBondContact CD-O 3.42Å; D54-G58 WeakPolarHBondContact O-CA 3.28Å; D54-G58 PolarHBondContact O-N 3.43Å |
| 59 | L | 38.7 | Very low | 46.4 | Very low | 135 Ų | 135 | 93.2 Ų | 93.2 | 71% | 0.707 | 50% | 0.504 | S | S | * | . | | | trans | -132.4 | 140.3 | -167.1 | -71.3 | 170.4 | 0 | 0 | 0 | 111.6 | T57 | T57-L59 WeakPolarHBondContact O-CG 3.48Å; T57-L59 PolarHBondContact O-N 2.99Å; T57-L59 VanDerWaalsContact O-N 3.16Å; T57-L59 PolarHBondContact OG1-O 2.87Å |
| 60 | G | 41.6 | Very low | 47 | Very low | 48 Ų | 48 | 91.8 Ų | 91.8 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | S | Bend | trans | 80.1 | 147.7 | -173 | 0 | 0 | 0 | 0 | 0 | 112.7 | R53 | R53-G60 VanDerWaalsContact CA-O 3.26Å; R53-G60 WeakPolarHBondContact CA-O 3.18Å; R53-G60 WeakPolarHBondContact CB-O 3.22Å; R53-G60 WeakPolarHBondContact CG-O 3.46Å |
| 61 | D | 49.6 | Very low | 47.4 | Very low | 130 Ų | 130 | 90.5 Ų | 90.5 | 70% | 0.695 | 51% | 0.514 | S | S | * | . | B | Isolated β-bridge | trans | -72.6 | 131.2 | 170.2 | -60.4 | -44.5 | 0 | 0 | 0 | 108.6 | E63 | D61-E63 PolarHBondContact O-N 2.79Å |
| 62 | L | 51.5 | Low | 47.5 | Very low | 60 Ų | 60 | 89.3 Ų | 89.3 | 31% | 0.314 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 128.9 | 175.4 | -91.8 | 156.7 | 0 | 0 | 0 | 109.7 | I51 T52 D54 R76 | I51-L62 HydrophobicContact CG2-CD1 4Å; I51-L62 WeakPolarHBondContact O-CD1 3.42Å; T52-L62 PolarHBondContact O-N 3.42Å; D54-L62 HydrophobicContact CB-CD2 4.4Å; L62-R76 PolarHBondContact O-NH1 2.96Å |
| 63 | E | 51.5 | Low | 48.2 | Very low | 171 Ų | 171 | 91.8 Ų | 91.8 | 80% | 0.799 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -55 | 157.8 | 178.5 | -65.3 | -168.3 | 157.5 | 0 | 0 | 111.9 | D61 E65 | D61-E63 PolarHBondContact O-N 2.79Å; E63-E65 PolarHBondContact O-N 2.94Å |
| 64 | A | 56.5 | Low | 49.1 | Very low | 47 Ų | 47 | 89.9 Ų | 89.9 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | | | trans | -58.2 | 110.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | W66 H73 | A64-W66 PolarHBondContact O-N 3.44Å; A64-H73 HydrophobicContact CB-CB 3.82Å; A64-H73 PolarHBondContact O-ND1 3.19Å |
| 65 | E | 59.8 | Low | 49.6 | Very low | 106 Ų | 106 | 99.1 Ų | 99.1 | 50% | 0.495 | 55% | 0.55 | S | S | . | * | | | trans | -56.8 | 125.2 | -166.6 | -173.2 | 168.7 | -175.7 | 0 | 0 | 111.2 | E63 N67 H73 L74 R76 | E63-E65 PolarHBondContact O-N 2.94Å; E65-N67 PolarHBondContact O-N 2.97Å; E65-H73 CarbonylContact O-C 3.49Å; E65-H73 WeakPolarHBondContact O-CA 3.4Å; E65-L74 HydrophobicContact CB-CB 4.4Å; E65-L74 HydrophobicContact CB-CD1 4.14Å; E65-L74 HydrophobicContact CG-CD1 4.27Å; E65-L74 VanDerWaalsContact O-CD1 3.22Å; E65-L74 WeakPolarHBondContact O-CD1 3.17Å; E65-L74 PolarHBondContact O-N 3.48Å; E65-R76 IonicContact OE2-NH2 3.36Å |
| 66 | W | 46 | Very low | 49.9 | Very low | 138 Ų | 138 | 98.9 Ų | 98.9 | 52% | 0.523 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 124.4 | -176.5 | 177.1 | -115.7 | 0 | 0 | 0 | 110.5 | A64 P68 G71 C72 H73 | A64-W66 PolarHBondContact O-N 3.44Å; W66-P68 WeakPolarHBondContact O-CD 3.27Å; W66-G71 VanDerWaalsContact CH2-O 3.25Å; W66-G71 WeakPolarHBondContact CH2-O 3.23Å; W66-C72 VanDerWaalsContact CZ3-C 3.48Å; W66-C72 VanDerWaalsContact CZ3-CA 3.46Å; W66-H73 AromaticContact CE3-CD2 3.82Å; W66-H73 AromaticContact CE3-CE1 3.87Å; W66-H73 AromaticContact CE3-CG 3.86Å; W66-H73 AromaticContact CE3-ND1 3.88Å; W66-H73 AromaticContact CE3-NE2 3.83Å; W66-H73 AromaticContact CZ3-CD2 3.97Å |
| 67 | N | 55.1 | Low | 50 | Low | 20 Ų | 20 | 102 Ų | 102 | 11% | 0.107 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 105 | 174.6 | -167.2 | -38.6 | 0 | 0 | 0 | 110.4 | E65 L69 N70 G71 C72 L74 | E65-N67 PolarHBondContact O-N 2.97Å; N67-L69 PolarHBondContact O-N 3.07Å; N67-L69 WeakPolarHBondContact OD1-CA 3.01Å; N67-L69 WeakPolarHBondContact OD1-CB 3.45Å; N67-L69 PolarHBondContact OD1-N 3.39Å; N67-N70 HydrophobicContact CB-CB 4.11Å; N67-N70 PolarHBondContact ND2-ND2 2.93Å; N67-N70 PolarHBondContact O-N 3.49Å; N67-N70 PolarHBondContact OD1-N 3.21Å; N67-N70 VanDerWaalsContact OD1-N 3.09Å; N67-G71 PolarHBondContact O-N 2.83Å; N67-C72 VanDerWaalsContact CB-O 3.23Å; N67-C72 WeakPolarHBondContact CB-O 3.08Å; N67-C72 PolarHBondContact N-O 3.3Å; N67-L74 HydrophobicContact CB-CD1 3.72Å |
| 68 | P | 40.3 | Very low | 50.2 | Low | 107 Ų | 107 | 107.9 Ų | 107.9 | 70% | 0.695 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -18.7 | 179.7 | 29.3 | -36.3 | 0 | 0 | 0 | 113.5 | W66 | W66-P68 WeakPolarHBondContact O-CD 3.27Š|
| 69 | L | 45.3 | Very low | 50.4 | Low | 125 Ų | 125 | 111.8 Ų | 111.8 | 65% | 0.654 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -33.2 | 178 | -56.5 | 176.1 | 0 | 0 | 0 | 112.5 | N67 T100 | N67-L69 PolarHBondContact O-N 3.07Å; N67-L69 WeakPolarHBondContact OD1-CA 3.01Å; N67-L69 WeakPolarHBondContact OD1-CB 3.45Å; N67-L69 PolarHBondContact OD1-N 3.39Å; L69-T100 HydrophobicContact CD1-CG2 4.2Å; L69-T100 WeakPolarHBondContact CD1-OG1 3.09Å |
| 70 | N | 51.2 | Low | 50.9 | Low | 117 Ų | 117 | 107.5 Ų | 107.5 | 63% | 0.626 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -10.9 | -177.1 | -71.2 | -9.6 | 0 | 0 | 0 | 114.2 | N67 C72 | N67-N70 HydrophobicContact CB-CB 4.11Å; N67-N70 PolarHBondContact ND2-ND2 2.93Å; N67-N70 PolarHBondContact O-N 3.49Å; N67-N70 PolarHBondContact OD1-N 3.21Å; N67-N70 VanDerWaalsContact OD1-N 3.09Å; N70-C72 PolarHBondContact O-N 3.4Å |
| 71 | G | 46.4 | Very low | 51.4 | Low | 50 Ų | 50 | 114.4 Ų | 114.4 | 52% | 0.515 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 63.4 | 29.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | W66 N67 | W66-G71 VanDerWaalsContact CH2-O 3.25Å; W66-G71 WeakPolarHBondContact CH2-O 3.23Å; N67-G71 PolarHBondContact O-N 2.83Å |
| 72 | C | 47.4 | Very low | 51.4 | Low | 61 Ų | 61 | 111.2 Ų | 111.2 | 41% | 0.412 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 152.2 | 178.9 | 68.1 | 0 | 0 | 0 | 0 | 111.4 | W66 N67 N70 | W66-C72 VanDerWaalsContact CZ3-C 3.48Å; W66-C72 VanDerWaalsContact CZ3-CA 3.46Å; N67-C72 VanDerWaalsContact CB-O 3.23Å; N67-C72 WeakPolarHBondContact CB-O 3.08Å; N67-C72 PolarHBondContact N-O 3.3Å; N70-C72 PolarHBondContact O-N 3.4Å |
| 73 | H | 59.8 | Low | 51.3 | Low | 106 Ų | 106 | 111.9 Ų | 111.9 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 134.7 | 169 | -65 | -86.3 | 0 | 0 | 0 | 109.9 | A64 E65 W66 R75 | A64-H73 HydrophobicContact CB-CB 3.82Å; A64-H73 PolarHBondContact O-ND1 3.19Å; E65-H73 CarbonylContact O-C 3.49Å; E65-H73 WeakPolarHBondContact O-CA 3.4Å; W66-H73 AromaticContact CE3-CD2 3.82Å; W66-H73 AromaticContact CE3-CE1 3.87Å; W66-H73 AromaticContact CE3-CG 3.86Å; W66-H73 AromaticContact CE3-ND1 3.88Å; W66-H73 AromaticContact CE3-NE2 3.83Å; W66-H73 AromaticContact CZ3-CD2 3.97Å; H73-R75 PolarHBondContact O-N 3.5Å |
| 74 | L | 58 | Low | 51.4 | Low | 74 Ų | 74 | 107.2 Ų | 107.2 | 39% | 0.387 | 53% | 0.527 | S | S | . | . | | | trans | -59.4 | 108.3 | 167.9 | -80.3 | 96.5 | 0 | 0 | 0 | 108.5 | E65 N67 R76 | E65-L74 HydrophobicContact CB-CB 4.4Å; E65-L74 HydrophobicContact CB-CD1 4.14Å; E65-L74 HydrophobicContact CG-CD1 4.27Å; E65-L74 VanDerWaalsContact O-CD1 3.22Å; E65-L74 WeakPolarHBondContact O-CD1 3.17Å; E65-L74 PolarHBondContact O-N 3.48Å; N67-L74 HydrophobicContact CB-CD1 3.72Å; L74-R76 PolarHBondContact O-N 2.98Å |
| 75 | R | 55.1 | Low | 51 | Low | 238 Ų | 238 | 112.5 Ų | 112.5 | 90% | 0.898 | 55% | 0.547 | S | S | * | . | | | trans | -65.7 | 89.8 | 163.2 | -74 | -173.7 | 173.4 | -170.6 | -2.3 | 108.4 | H73 R77 | H73-R75 PolarHBondContact O-N 3.5Å; R75-R77 PolarHBondContact O-N 3.41Å |
| 76 | R | 53.6 | Low | 50.7 | Low | 97 Ų | 97 | 114.7 Ų | 114.7 | 37% | 0.366 | 55% | 0.55 | S | S | . | * | | | trans | -50.3 | 111 | 162.5 | -69.3 | -173.1 | 179.4 | 155 | 5 | 107.2 | L62 E65 L74 F79 | L62-R76 PolarHBondContact O-NH1 2.96Å; E65-R76 IonicContact OE2-NH2 3.36Å; L74-R76 PolarHBondContact O-N 2.98Å; R76-F79 HydrophobicContact CB-CD2 4.32Å; R76-F79 HydrophobicContact CB-CE2 3.85Å; R76-F79 HydrophobicContact CG-CE2 4.03Å |
| 77 | R | 51.9 | Low | 51 | Low | 188 Ų | 188 | 111.8 Ų | 111.8 | 71% | 0.709 | 54% | 0.543 | S | S | * | . | | | trans | -61.2 | 157.4 | 168.2 | -61.6 | -175 | -175.5 | -171.9 | 3.9 | 107.3 | R75 F79 | R75-R77 PolarHBondContact O-N 3.41Å; R77-F79 VanDerWaalsContact O-CD2 3.27Å; R77-F79 WeakPolarHBondContact O-CD2 3.2Å; R77-F79 PolarHBondContact O-N 3.23Å |
| 78 | H | 49.5 | Very low | 50.9 | Low | 204 Ų | 204 | 115.7 Ų | 115.7 | 94% | 0.944 | 56% | 0.561 | S | S | * | * | | | trans | -56 | 108.2 | 175.3 | -82.3 | -75.9 | 0 | 0 | 0 | 109.7 | | |
| 79 | F | 49.9 | Very low | 51.8 | Low | 125 Ų | 125 | 112.5 Ų | 112.5 | 55% | 0.548 | 55% | 0.548 | S | S | . | . | | | trans | -76.6 | 148.5 | 174.3 | -75.8 | -77.6 | 0 | 0 | 0 | 109.7 | R76 R77 | R76-F79 HydrophobicContact CB-CD2 4.32Å; R76-F79 HydrophobicContact CB-CE2 3.85Å; R76-F79 HydrophobicContact CG-CE2 4.03Å; R77-F79 VanDerWaalsContact O-CD2 3.27Å; R77-F79 WeakPolarHBondContact O-CD2 3.2Å; R77-F79 PolarHBondContact O-N 3.23Å |
| 80 | P | 49.5 | Very low | 51.9 | Low | 45 Ų | 45 | 112.3 Ų | 112.3 | 29% | 0.292 | 55% | 0.547 | S | S | . | . | | | trans | -58.2 | 145 | 176.5 | 24 | -33.5 | 0 | 0 | 0 | 111.3 | R82 D90 | P80-R82 PolarHBondContact O-N 2.77Å; P80-D90 HydrophobicContact CB-CB 3.95Å; P80-D90 WeakPolarHBondContact CB-O 3.18Å; P80-D90 HydrophobicContact CG-CB 4.49Å; P80-D90 WeakPolarHBondContact CG-O 3.38Å |
| 81 | H | 51.4 | Low | 52 | Low | 194 Ų | 194 | 112.5 Ų | 112.5 | 90% | 0.898 | 55% | 0.546 | S | S | * | . | | | trans | -80 | 90.7 | -174.7 | -156.1 | 59.3 | 0 | 0 | 0 | 109.8 | | |
| 82 | R | 49.6 | Very low | 52.1 | Low | 63 Ų | 63 | 111.7 Ų | 111.7 | 24% | 0.238 | 54% | 0.538 | C | S | . | . | | | trans | -97 | 129.8 | 178 | -160.2 | 178 | -171 | 166.7 | 6.7 | 110.8 | M50 P80 P84 M87 E88 | M50-R82 HydrophobicContact CE-CB 4.01Å; M50-R82 HydrophobicContact SD-CB 3.77Å; P80-R82 PolarHBondContact O-N 2.77Å; R82-P84 WeakPolarHBondContact O-CD 3.41Å; R82-M87 VanDerWaalsContact CZ-O 3.31Å; R82-M87 PolarHBondContact NE-O 3.39Å; R82-M87 PolarHBondContact NH2-O 3.42Å; R82-E88 WeakPolarHBondContact CA-O 3.38Å; R82-E88 VanDerWaalsContact CG-O 3.26Å; R82-E88 WeakPolarHBondContact CG-O 3.45Å |
| 83 | D | 49.4 | Very low | 52.2 | Low | 73 Ų | 73 | 114.3 Ų | 114.3 | 39% | 0.39 | 55% | 0.552 | S | S | . | * | | | trans | -81.5 | 110.1 | -174.7 | -166.9 | -1.1 | 0 | 0 | 0 | 110 | I85 R86 M87 E88 | D83-I85 PolarHBondContact O-N 2.77Å; D83-R86 HydrophobicContact CB-CB 4.31Å; D83-R86 PolarHBondContact O-N 2.83Å; D83-R86 VanDerWaalsContact O-N 3.08Å; D83-R86 WeakPolarHBondContact OD2-CD 3.49Å; D83-M87 PolarHBondContact O-N 3.12Å; D83-E88 PolarHBondContact N-O 3.05Å |
| 84 | P | 54.5 | Low | 51.2 | Low | 74 Ų | 74 | 117 Ų | 117 | 48% | 0.481 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.3 | -11.6 | -165.4 | 28.4 | -36.8 | 0 | 0 | 0 | 114.3 | R82 | R82-P84 WeakPolarHBondContact O-CD 3.41Š|
| 85 | I | 46.8 | Very low | 50.1 | Low | 158 Ų | 158 | 120.4 Ų | 120.4 | 81% | 0.81 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -36 | 174.9 | -61.4 | 174.1 | 0 | 0 | 0 | 111 | D83 | D83-I85 PolarHBondContact O-N 2.77Š|
| 86 | R | 54.2 | Low | 49.5 | Very low | 151 Ų | 151 | 114.1 Ų | 114.1 | 57% | 0.57 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -19.4 | -172.5 | -58.8 | 178.5 | 67.7 | 171 | -7.7 | 113.2 | D83 E88 | D83-R86 HydrophobicContact CB-CB 4.31Å; D83-R86 PolarHBondContact O-N 2.83Å; D83-R86 VanDerWaalsContact O-N 3.08Å; D83-R86 WeakPolarHBondContact OD2-CD 3.49Å; R86-E88 HydrophobicContact CB-CB 4.09Å; R86-E88 HydrophobicContact CB-CG 3.94Å; R86-E88 IonicContact CZ-OE1 2.68Å; R86-E88 IonicContact CZ-OE2 3.54Å; R86-E88 VanDerWaalsContact NE-CD 3.25Å; R86-E88 IonicContact NE-OE1 3.57Å; R86-E88 PolarHBondContact NE-OE1 3.02Å; R86-E88 IonicContact NE-OE2 2.63Å; R86-E88 PolarHBondContact NE-OE2 2.87Å; R86-E88 IonicContact NH2-OE1 2.72Å; R86-E88 PolarHBondContact NH2-OE1 2.83Å; R86-E88 IonicContact NH2-OE2 3.89Å; R86-E88 PolarHBondContact NH2-OE2 3.17Å; R86-E88 PolarHBondContact O-N 2.91Å; R86-E88 VanDerWaalsContact O-N 3.12Å |
| 87 | M | 51.2 | Low | 48.8 | Very low | 77 Ų | 77 | 113.5 Ų | 113.5 | 38% | 0.379 | 57% | 0.567 | S | S | . | * | | | trans | 57.7 | 13.8 | -168.1 | -60.8 | -67.7 | -76.5 | 0 | 0 | 113.9 | N48 R82 D83 | N48-M87 HydrophobicContact CB-CE 4.38Å; R82-M87 VanDerWaalsContact CZ-O 3.31Å; R82-M87 PolarHBondContact NE-O 3.39Å; R82-M87 PolarHBondContact NH2-O 3.42Å; D83-M87 PolarHBondContact O-N 3.12Å |
| 88 | E | 53.3 | Low | 48.2 | Very low | 103 Ų | 103 | 110.8 Ų | 110.8 | 48% | 0.481 | 57% | 0.566 | S | S | . | * | | | trans | -81.5 | 140.1 | 174.5 | -70.4 | 172.2 | -137.9 | 0 | 0 | 110.5 | R82 D83 R86 | R82-E88 WeakPolarHBondContact CA-O 3.38Å; R82-E88 VanDerWaalsContact CG-O 3.26Å; R82-E88 WeakPolarHBondContact CG-O 3.45Å; D83-E88 PolarHBondContact N-O 3.05Å; R86-E88 HydrophobicContact CB-CB 4.09Å; R86-E88 HydrophobicContact CB-CG 3.94Å; R86-E88 IonicContact CZ-OE1 2.68Å; R86-E88 IonicContact CZ-OE2 3.54Å; R86-E88 VanDerWaalsContact NE-CD 3.25Å; R86-E88 IonicContact NE-OE1 3.57Å; R86-E88 PolarHBondContact NE-OE1 3.02Å; R86-E88 IonicContact NE-OE2 2.63Å; R86-E88 PolarHBondContact NE-OE2 2.87Å; R86-E88 IonicContact NH2-OE1 2.72Å; R86-E88 PolarHBondContact NH2-OE1 2.83Å; R86-E88 IonicContact NH2-OE2 3.89Å; R86-E88 PolarHBondContact NH2-OE2 3.17Å; R86-E88 PolarHBondContact O-N 2.91Å; R86-E88 VanDerWaalsContact O-N 3.12Å |
| 89 | G | 59.3 | Low | 47.4 | Very low | 40 Ų | 40 | 108.5 Ų | 108.5 | 41% | 0.412 | 55% | 0.55 | S | S | . | * | S | Bend | trans | 130.8 | 156.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 90 | D | 48.4 | Very low | 46.6 | Very low | 120 Ų | 120 | 107.2 Ų | 107.2 | 64% | 0.642 | 55% | 0.553 | S | S | * | * | | | trans | -61.9 | 141.2 | 179.2 | -171.9 | -1 | 0 | 0 | 0 | 110.9 | P80 G92 | P80-D90 HydrophobicContact CB-CB 3.95Å; P80-D90 WeakPolarHBondContact CB-O 3.18Å; P80-D90 HydrophobicContact CG-CB 4.49Å; P80-D90 WeakPolarHBondContact CG-O 3.38Å; D90-G92 PolarHBondContact OD1-N 3.26Å |
| 91 | M | 52.4 | Low | 45.8 | Very low | 121 Ų | 121 | 109.1 Ų | 109.1 | 60% | 0.596 | 56% | 0.564 | S | S | * | * | | | trans | -79.3 | -26.7 | -178.1 | -55.7 | -142.1 | -54.5 | 0 | 0 | 112.2 | | |
| 92 | G | 49.4 | Very low | 45.2 | Very low | 34 Ų | 34 | 109.6 Ų | 109.6 | 35% | 0.351 | 56% | 0.563 | S | S | . | * | | | trans | 67.3 | -177.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D90 E94 | D90-G92 PolarHBondContact OD1-N 3.26Å; G92-E94 PolarHBondContact O-N 3.16Å |
| 93 | T | 48.6 | Very low | 44.4 | Very low | 116 Ų | 116 | 115.6 Ų | 115.6 | 71% | 0.712 | 59% | 0.594 | S | S | * | * | | | trans | -80.1 | 114.9 | 175.8 | 54.5 | 0 | 0 | 0 | 0 | 110.4 | Y95 | T93-Y95 PolarHBondContact O-N 3.23Š|
| 94 | E | 40 | Very low | 43.6 | Very low | 161 Ų | 161 | 118.7 Ų | 118.7 | 75% | 0.752 | 61% | 0.61 | S | S | * | * | | | trans | -62.4 | 104.4 | -178.5 | -64.3 | -177.1 | -172.7 | 0 | 0 | 112.1 | G92 N96 | G92-E94 PolarHBondContact O-N 3.16Å; E94-N96 PolarHBondContact O-N 2.84Å |
| 95 | Y | 34.9 | Very low | 42.7 | Very low | 147 Ų | 147 | 121 Ų | 121 | 58% | 0.576 | 62% | 0.623 | S | S | * | * | | | trans | -79.5 | 98.3 | 172.3 | -92.7 | -82.2 | 0 | 0 | 0 | 110.1 | T93 C97 | T93-Y95 PolarHBondContact O-N 3.23Å; Y95-C97 PolarHBondContact O-N 3.1Å |
| 96 | N | 41.9 | Very low | 42 | Very low | 105 Ų | 105 | 119.3 Ų | 119.3 | 56% | 0.561 | 62% | 0.623 | S | S | * | * | | | trans | -69.7 | 89.5 | 178 | -167.9 | -12.7 | 0 | 0 | 0 | 111.2 | E94 L98 Y99 | E94-N96 PolarHBondContact O-N 2.84Å; N96-L98 PolarHBondContact O-N 2.73Å; N96-Y99 PolarHBondContact O-N 2.82Å |
| 97 | C | 39 | Very low | 41.1 | Very low | 84 Ų | 84 | 121 Ų | 121 | 57% | 0.568 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 1.7 | -171.1 | 56.6 | 0 | 0 | 0 | 0 | 115.6 | Y95 | Y95-C97 PolarHBondContact O-N 3.1Š|
| 98 | L | 39.7 | Very low | 40.4 | Very low | 131 Ų | 131 | 124.6 Ų | 124.6 | 69% | 0.686 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -8.3 | 174.7 | -63.5 | 176.7 | 0 | 0 | 0 | 113.8 | N96 | N96-L98 PolarHBondContact O-N 2.73Š|
| 99 | Y | 33 | Very low | 39.5 | Very low | 157 Ų | 157 | 131 Ų | 131 | 62% | 0.616 | 68% | 0.675 | S | S | * | * | | | trans | -114.8 | 84.7 | 179.7 | -69.4 | -79.5 | 0 | 0 | 0 | 112.7 | N96 T101 | N96-Y99 PolarHBondContact O-N 2.82Å; Y99-T101 PolarHBondContact O-N 2.85Å |
| 100 | T | 32.8 | Very low | 38.4 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 60% | 0.601 | 69% | 0.69 | S | S | * | * | | | trans | -76.7 | 45.8 | 165.5 | 56.4 | 0 | 0 | 0 | 0 | 111.9 | L69 | L69-T100 HydrophobicContact CD1-CG2 4.2Å; L69-T100 WeakPolarHBondContact CD1-OG1 3.09Å |
| 101 | T | 33 | Very low | 37.7 | Very low | 84 Ų | 84 | 135.7 Ų | 135.7 | 52% | 0.515 | 70% | 0.695 | S | S | . | * | S | Bend | trans | -136 | 110.4 | -178.9 | 50.2 | 0 | 0 | 0 | 0 | 110.3 | Y99 | Y99-T101 PolarHBondContact O-N 2.85Š|
| 102 | K | 37.1 | Very low | 36.9 | Very low | 205 Ų | 205 | 135.6 Ų | 135.6 | 89% | 0.891 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 14.2 | 106.9 | 161.2 | -59.6 | 173.9 | -175.2 | 173.5 | 0 | 115.8 | L104 | K102-L104 PolarHBondContact O-N 3.18Š|
| 103 | E | 32.8 | Very low | 36.1 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | | | trans | -5.6 | 79.6 | 167.1 | -64.5 | 178.7 | 171.5 | 0 | 0 | 115.3 | T105 | E103-T105 VanDerWaalsContact C-N 3.26Å; E103-T105 PolarHBondContact O-N 3.16Å |
| 104 | L | 33.7 | Very low | 35.7 | Very low | 137 Ų | 137 | 142 Ų | 142 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | | | trans | -71.3 | 93.3 | 167.1 | -77.9 | 174 | 0 | 0 | 0 | 106.9 | K102 C106 | K102-L104 PolarHBondContact O-N 3.18Å; L104-C106 VanDerWaalsContact C-N 3.27Å; L104-C106 PolarHBondContact O-N 2.84Å |
| 105 | T | 35.1 | Very low | 35.4 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | | | trans | -60.9 | 94.9 | 166.3 | 31.5 | 0 | 0 | 0 | 0 | 107.7 | E103 K107 | E103-T105 VanDerWaalsContact C-N 3.26Å; E103-T105 PolarHBondContact O-N 3.16Å; T105-K107 VanDerWaalsContact C-N 3.31Å; T105-K107 PolarHBondContact O-N 2.78Å |
| 106 | C | 31.9 | Very low | 35.5 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 82% | 0.824 | 74% | 0.743 | S | S | * | * | | | trans | -61.3 | 94.1 | 175.1 | -66.3 | 0 | 0 | 0 | 0 | 108.5 | L104 | L104-C106 VanDerWaalsContact C-N 3.27Å; L104-C106 PolarHBondContact O-N 2.84Å |
| 107 | K | 35.7 | Very low | 35 | Very low | 188 Ų | 188 | 147.7 Ų | 147.7 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | | | trans | -58 | 137.6 | 166.9 | -66.5 | -179.8 | 178.4 | 178.8 | 0 | 107.9 | T105 R109 | T105-K107 VanDerWaalsContact C-N 3.31Å; T105-K107 PolarHBondContact O-N 2.78Å; K107-R109 PolarHBondContact O-N 3.01Å |
| 108 | D | 36.6 | Very low | 34.9 | Very low | 151 Ų | 151 | 149.1 Ų | 149.1 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | | | trans | -51.9 | 131.9 | 176.6 | -61.2 | -64.9 | 0 | 0 | 0 | 110.3 | V110 | D108-V110 VanDerWaalsContact C-N 3.34Å; D108-V110 PolarHBondContact O-N 3.04Å |
| 109 | R | 34.1 | Very low | 34.5 | Very low | 237 Ų | 237 | 150.8 Ų | 150.8 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | | | trans | -66.9 | 96.5 | 172 | -80.6 | -178.7 | 169.7 | 173.1 | -5.3 | 108 | K107 N111 | K107-R109 PolarHBondContact O-N 3.01Å; R109-N111 PolarHBondContact O-N 2.8Å; R109-N111 VanDerWaalsContact O-N 3.15Å |
| 110 | V | 37.6 | Very low | 34.5 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | | | trans | -62.8 | 114.3 | 168.4 | -177.4 | 0 | 0 | 0 | 0 | 107.3 | D108 T112 | D108-V110 VanDerWaalsContact C-N 3.34Å; D108-V110 PolarHBondContact O-N 3.04Å; V110-T112 VanDerWaalsContact C-N 3.28Å; V110-T112 HydrophobicContact CG1-CG2 4.11Å; V110-T112 PolarHBondContact O-N 3.44Å |
| 111 | N | 31.9 | Very low | 34.4 | Very low | 140 Ų | 140 | 153.1 Ų | 153.1 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | | | trans | -71.5 | 81.6 | 178.8 | -74.4 | -20.3 | 0 | 0 | 0 | 110.5 | R109 T113 | R109-N111 PolarHBondContact O-N 2.8Å; R109-N111 VanDerWaalsContact O-N 3.15Å; N111-T113 PolarHBondContact O-N 2.85Å; N111-T113 VanDerWaalsContact O-N 3.14Å |
| 112 | T | 36.9 | Very low | 34.6 | Very low | 120 Ų | 120 | 158.9 Ų | 158.9 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | | | trans | -84.1 | 71.1 | 167.3 | 56.1 | 0 | 0 | 0 | 0 | 109.9 | V110 D114 | V110-T112 VanDerWaalsContact C-N 3.28Å; V110-T112 HydrophobicContact CG1-CG2 4.11Å; V110-T112 PolarHBondContact O-N 3.44Å; T112-D114 PolarHBondContact O-N 2.93Å |
| 113 | T | 32.3 | Very low | 34.3 | Very low | 130 Ų | 130 | 159.5 Ų | 159.5 | 80% | 0.798 | 82% | 0.819 | S | S | * | * | | | trans | -73.8 | 80.3 | 160.5 | 49.2 | 0 | 0 | 0 | 0 | 108.9 | N111 | N111-T113 PolarHBondContact O-N 2.85Å; N111-T113 VanDerWaalsContact O-N 3.14Å |
| 114 | D | 39.5 | Very low | 34.5 | Very low | 155 Ų | 155 | 155.3 Ų | 155.3 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | | | trans | -140.2 | 124.1 | 163.1 | -99.7 | -44.8 | 0 | 0 | 0 | 109.9 | T112 | T112-D114 PolarHBondContact O-N 2.93Š|
| 115 | T | 34.4 | Very low | 34.5 | Very low | 125 Ų | 125 | 156.1 Ų | 156.1 | 77% | 0.767 | 81% | 0.811 | S | S | * | * | | | trans | -78.2 | 135.6 | -176.7 | 48.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 116 | N | 37.5 | Very low | 34.8 | Very low | 164 Ų | 164 | 157.3 Ų | 157.3 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | | | trans | -162.4 | 133.6 | 132.3 | -97.5 | -46.4 | 0 | 0 | 0 | 111.4 | | |
| 117 | Y | 31.8 | Very low | 35.1 | Very low | 243 Ų | 243 | 159.8 Ų | 159.8 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | | | trans | -76 | 127.4 | 175.4 | -90.5 | -107.8 | 0 | 0 | 0 | 110.6 | | |
| 118 | S | 35.3 | Very low | 35.1 | Very low | 113 Ų | 113 | 157.6 Ų | 157.6 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | -152.9 | 131.6 | 160.4 | -172 | 0 | 0 | 0 | 0 | 109.7 | | |
| 119 | N | 32.5 | Very low | 35 | Very low | 167 Ų | 167 | 157.8 Ų | 157.8 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | | | trans | -66.6 | 134.1 | 176.4 | -81.5 | -18.5 | 0 | 0 | 0 | 110.4 | | |
| 120 | G | 32.6 | Very low | 35.2 | Very low | 70 Ų | 70 | 153.8 Ų | 153.8 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | trans | -170.9 | 74.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | F122 | G120-F122 PolarHBondContact O-N 2.88Å; G120-F122 VanDerWaalsContact O-N 3.09Å |
| 121 | Y | 31.4 | Very low | 35.1 | Very low | 234 Ų | 234 | 156 Ų | 156 | 92% | 0.918 | 81% | 0.807 | S | S | * | * | | | trans | -63 | 103.8 | 163.2 | -100.6 | -106.5 | 0 | 0 | 0 | 109 | | |
| 122 | F | 36.1 | Very low | 35.5 | Very low | 205 Ų | 205 | 157.3 Ų | 157.3 | 90% | 0.899 | 81% | 0.809 | S | S | * | * | | | trans | -146.9 | 109.4 | 152.9 | -88.6 | -66.6 | 0 | 0 | 0 | 110.7 | G120 | G120-F122 PolarHBondContact O-N 2.88Å; G120-F122 VanDerWaalsContact O-N 3.09Å |
| 123 | Y | 31.6 | Very low | 35.4 | Very low | 218 Ų | 218 | 157.7 Ų | 157.7 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | | | trans | -93.8 | 159.5 | 160.9 | -145 | -95.9 | 0 | 0 | 0 | 108.1 | | |
| 124 | V | 35.9 | Very low | 35.6 | Very low | 101 Ų | 101 | 159.5 Ų | 159.5 | 61% | 0.612 | 80% | 0.803 | S | S | * | * | | | trans | 69.2 | 115.3 | -175 | -169.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 125 | D | 34.7 | Very low | 35.5 | Very low | 153 Ų | 153 | 159.6 Ų | 159.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -133.5 | 140.3 | 135.9 | -144.2 | -15.7 | 0 | 0 | 0 | 111.5 | | |
| 126 | H | 39.9 | Very low | 35.4 | Very low | 148 Ų | 148 | 157.4 Ų | 157.4 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | | | trans | -66.2 | 144.3 | -151.2 | -68.1 | -80.1 | 0 | 0 | 0 | 117 | N128 | H126-N128 PolarHBondContact O-N 3.4Š|
| 127 | L | 39.9 | Very low | 35.5 | Very low | 174 Ų | 174 | 156.5 Ų | 156.5 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | | | trans | -58.9 | 121.8 | 154.9 | -83 | 168.5 | 0 | 0 | 0 | 109.5 | N129 | L127-N129 PolarHBondContact O-N 2.99Š|
| 128 | N | 34.1 | Very low | 36.2 | Very low | 143 Ų | 143 | 152.4 Ų | 152.4 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | | | trans | -44.1 | 120.3 | 178.8 | -78.7 | -89 | 0 | 0 | 0 | 113.5 | H126 | H126-N128 PolarHBondContact O-N 3.4Š|
| 129 | N | 35.3 | Very low | 36.1 | Very low | 155 Ų | 155 | 154 Ų | 154 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | | | trans | -134.3 | 89.9 | 151.1 | -166.7 | 17.1 | 0 | 0 | 0 | 109 | L127 | L127-N129 PolarHBondContact O-N 2.99Š|
| 130 | K | 38.7 | Very low | 36.4 | Very low | 153 Ų | 153 | 156.6 Ų | 156.6 | 67% | 0.665 | 78% | 0.776 | S | S | * | * | | | trans | -73.5 | 128.8 | 177.8 | -66.6 | -173.4 | 175.9 | -168.4 | 0 | 109.9 | | |
| 131 | N | 35.9 | Very low | 36.7 | Very low | 164 Ų | 164 | 159.9 Ų | 159.9 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | | | trans | -154.3 | 110.6 | 141.4 | -99.9 | -21.4 | 0 | 0 | 0 | 110.6 | | |
| 132 | E | 39.2 | Very low | 36.7 | Very low | 168 Ų | 168 | 152.8 Ų | 152.8 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | trans | -65.9 | 162.7 | 162.3 | -67.6 | 158.8 | -144.6 | 0 | 0 | 110.1 | | |
| 133 | N | 35.1 | Very low | 36.5 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | | | cis | -176.6 | 160.2 | -21.2 | -178 | 3.1 | 0 | 0 | 0 | 106 | | |
| 134 | K | 36.8 | Very low | 36.7 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | | | trans | 70.6 | 154.1 | 173.6 | -43.3 | 175.5 | -175 | 179 | 0 | 115.3 | | |
| 135 | H | 36.7 | Very low | 36.5 | Very low | 157 Ų | 157 | 149.6 Ų | 149.6 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | cis | -128.4 | 147.7 | -9.8 | -107.4 | -77.8 | 0 | 0 | 0 | 106.4 | | |
| 136 | S | 33 | Very low | 36.6 | Very low | 79 Ų | 79 | 149.9 Ų | 149.9 | 55% | 0.552 | 77% | 0.767 | S | S | * | * | | | | 40.9 | 133.3 | 94.6 | 98.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 137 | D | 39.2 | Very low | 36.3 | Very low | 144 Ų | 144 | 148.2 Ų | 148.2 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | cis | -139.4 | -139.2 | 18.8 | -72.7 | -82.3 | 0 | 0 | 0 | 112.8 | | |
| 138 | D | 46.3 | Very low | 36.2 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | | | trans | 75.2 | 72.4 | 170.2 | -62.1 | -17 | 0 | 0 | 0 | 120.2 | Y140 | D138-Y140 PolarHBondContact O-N 3.3Š|
| 139 | N | 33.9 | Very low | 36.3 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | | | trans | -41.7 | 119.8 | 151.3 | 165.7 | 26.9 | 0 | 0 | 0 | 114.2 | | |
| 140 | Y | 38.5 | Very low | 36.5 | Very low | 222 Ų | 222 | 145.5 Ų | 145.5 | 87% | 0.871 | 74% | 0.744 | S | S | * | * | | | trans | -145.5 | 95.6 | 158.4 | -115.5 | -77.3 | 0 | 0 | 0 | 114.6 | D138 | D138-Y140 PolarHBondContact O-N 3.3Š|
| 141 | N | 37.6 | Very low | 36.5 | Very low | 139 Ų | 139 | 148.4 Ų | 148.4 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | trans | 52.7 | 132.5 | 147.3 | -153.5 | 16.4 | 0 | 0 | 0 | 121.2 | | |
| 142 | S | 31.5 | Very low | 36.8 | Very low | 85 Ų | 85 | 145.3 Ų | 145.3 | 59% | 0.594 | 74% | 0.74 | S | S | * | * | | | trans | -64.2 | 136.7 | 172 | 177.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 143 | N | 31.6 | Very low | 37.4 | Very low | 141 Ų | 141 | 145.7 Ų | 145.7 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | | | | 171.1 | 101 | 119.8 | -84.7 | -10.8 | 0 | 0 | 0 | 110.9 | | |
| 144 | N | 36.6 | Very low | 37.8 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | | | trans | -159.9 | 132.6 | 149.3 | -109.2 | -41.6 | 0 | 0 | 0 | 111.4 | N146 | N144-N146 PolarHBondContact O-N 3.18Š|
| 145 | N | 31.1 | Very low | 38.4 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 85% | 0.845 | 73% | 0.728 | S | S | * | * | | | trans | -74.5 | 116.2 | -177.7 | -56.6 | -28.4 | 0 | 0 | 0 | 109.7 | | |
| 146 | N | 36.9 | Very low | 39.2 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 85% | 0.845 | 71% | 0.712 | S | S | * | * | | | trans | -128.4 | 88.2 | 162.6 | -90.2 | -26.3 | 0 | 0 | 0 | 107.7 | N144 H148 | N144-N146 PolarHBondContact O-N 3.18Å; N146-H148 VanDerWaalsContact C-N 3.26Å; N146-H148 PolarHBondContact O-N 2.85Å |
| 147 | T | 34.3 | Very low | 40.4 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 69% | 0.693 | 72% | 0.72 | S | S | * | * | | | trans | -69.5 | 91.9 | 161.7 | 47 | 0 | 0 | 0 | 0 | 107.4 | E149 | T147-E149 WeakPolarHBondContact CB-OE1 3.13Å; T147-E149 PolarHBondContact O-N 2.92Å; T147-E149 PolarHBondContact OG1-OE1 3.25Å |
| 148 | H | 36.9 | Very low | 41.3 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | | | trans | -74 | 77.5 | 165.5 | -175.6 | -69.5 | 0 | 0 | 0 | 107.4 | N146 D150 | N146-H148 VanDerWaalsContact C-N 3.26Å; N146-H148 PolarHBondContact O-N 2.85Å; H148-D150 PolarHBondContact O-N 2.93Å; H148-D150 VanDerWaalsContact O-N 3.14Å |
| 149 | E | 37.7 | Very low | 42.1 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 61% | 0.612 | 70% | 0.702 | S | S | * | * | | | trans | -65.8 | 111.5 | 177.1 | -72.3 | 166.9 | -143.2 | 0 | 0 | 108.3 | T147 Y151 | T147-E149 WeakPolarHBondContact CB-OE1 3.13Å; T147-E149 PolarHBondContact O-N 2.92Å; T147-E149 PolarHBondContact OG1-OE1 3.25Å; E149-Y151 PolarHBondContact O-N 3.15Å |
| 150 | D | 40 | Very low | 43.3 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 65% | 0.652 | 70% | 0.697 | S | S | * | * | | | trans | -59.6 | 125 | 165.1 | -85.3 | -38.6 | 0 | 0 | 0 | 107.9 | H148 T152 | H148-D150 PolarHBondContact O-N 2.93Å; H148-D150 VanDerWaalsContact O-N 3.14Å; D150-T152 PolarHBondContact O-N 3.27Å; D150-T152 PolarHBondContact O-OG1 2.69Å |
| 151 | Y | 37.8 | Very low | 43.8 | Very low | 213 Ų | 213 | 132.8 Ų | 132.8 | 84% | 0.835 | 69% | 0.689 | S | S | * | * | | | trans | -75.9 | 56 | 173.2 | -88.1 | -109.7 | 0 | 0 | 0 | 110.3 | E149 Q153 | E149-Y151 PolarHBondContact O-N 3.15Å; Y151-Q153 PolarHBondContact O-N 2.9Å |
| 152 | T | 42.9 | Very low | 44.9 | Very low | 100 Ų | 100 | 127.7 Ų | 127.7 | 61% | 0.613 | 67% | 0.669 | S | S | * | * | | | trans | -63 | 117.1 | 156.6 | 40.2 | 0 | 0 | 0 | 0 | 107.3 | D150 D154 | D150-T152 PolarHBondContact O-N 3.27Å; D150-T152 PolarHBondContact O-OG1 2.69Å; T152-D154 PolarHBondContact O-N 2.99Å |
| 153 | Q | 50.7 | Low | 45.9 | Very low | 176 Ų | 176 | 130.8 Ų | 130.8 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | | | trans | -74.8 | 80.6 | -178 | -66.6 | -179.3 | -56.6 | 0 | 0 | 109.7 | Y151 R155 | Y151-Q153 PolarHBondContact O-N 2.9Å; Q153-R155 PolarHBondContact O-N 2.75Å |
| 154 | D | 43.9 | Very low | 47.1 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 74% | 0.738 | 67% | 0.671 | S | S | * | * | | | trans | -69.4 | 73.1 | 173.6 | -74.8 | -12.5 | 0 | 0 | 0 | 110.3 | T152 | T152-D154 PolarHBondContact O-N 2.99Š|
| 155 | R | 48.6 | Very low | 48 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 40% | 0.4 | 65% | 0.654 | S | S | . | * | | | trans | -97.3 | 109 | 158.8 | -88.3 | -177.2 | 163.4 | -125.5 | -23.6 | 108 | Q153 P157 G162 D163 | Q153-R155 PolarHBondContact O-N 2.75Å; R155-P157 VanDerWaalsContact O-CD 3.3Å; R155-P157 WeakPolarHBondContact O-CD 3.47Å; R155-G162 PolarHBondContact NE-O 3.04Å; R155-G162 VanDerWaalsContact NE-O 3.12Å; R155-G162 PolarHBondContact NH2-O 3.14Å; R155-D163 PolarHBondContact NE-O 3.11Å |
| 156 | D | 53.9 | Low | 49.1 | Very low | 72 Ų | 72 | 124.5 Ų | 124.5 | 39% | 0.385 | 65% | 0.651 | S | S | . | * | | | trans | -63 | 113.8 | 167 | 166.9 | 21.8 | 0 | 0 | 0 | 108.4 | I158 T159 L160 Q161 | D156-I158 PolarHBondContact O-N 2.82Å; D156-I158 VanDerWaalsContact O-N 3.1Å; D156-I158 PolarHBondContact OD1-N 3.17Å; D156-I158 VanDerWaalsContact OD1-N 3.17Å; D156-T159 WeakPolarHBondContact CB-OG1 3.29Å; D156-T159 VanDerWaalsContact CG-OG1 3.29Å; D156-T159 PolarHBondContact O-N 2.72Å; D156-T159 WeakPolarHBondContact OD2-CB 3.39Å; D156-T159 WeakPolarHBondContact OD2-CG2 3.32Å; D156-T159 PolarHBondContact OD2-N 2.85Å; D156-T159 PolarHBondContact OD2-OG1 3.38Å; D156-L160 PolarHBondContact O-N 3.04Å; D156-L160 VanDerWaalsContact O-N 3.09Å; D156-Q161 PolarHBondContact N-O 3.48Å |
| 157 | P | 59.4 | Low | 49.9 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -11.7 | -171.1 | 29.5 | -36.2 | 0 | 0 | 0 | 113 | R155 | R155-P157 VanDerWaalsContact O-CD 3.3Å; R155-P157 WeakPolarHBondContact O-CD 3.47Å |
| 158 | I | 57.4 | Low | 50.8 | Low | 153 Ų | 153 | 126.7 Ų | 126.7 | 79% | 0.785 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -42 | 179.4 | -58.8 | 177.4 | 0 | 0 | 0 | 111 | D156 | D156-I158 PolarHBondContact O-N 2.82Å; D156-I158 VanDerWaalsContact O-N 3.1Å; D156-I158 PolarHBondContact OD1-N 3.17Å; D156-I158 VanDerWaalsContact OD1-N 3.17Å |
| 159 | T | 62.4 | Low | 51.7 | Low | 72 Ų | 72 | 122.4 Ų | 122.4 | 44% | 0.442 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.1 | -13.6 | -175.9 | 59 | 0 | 0 | 0 | 0 | 114.4 | D156 Q161 | D156-T159 WeakPolarHBondContact CB-OG1 3.29Å; D156-T159 VanDerWaalsContact CG-OG1 3.29Å; D156-T159 PolarHBondContact O-N 2.72Å; D156-T159 WeakPolarHBondContact OD2-CB 3.39Å; D156-T159 WeakPolarHBondContact OD2-CG2 3.32Å; D156-T159 PolarHBondContact OD2-N 2.85Å; D156-T159 PolarHBondContact OD2-OG1 3.38Å; T159-Q161 PolarHBondContact O-N 3.35Å; T159-Q161 VanDerWaalsContact O-N 3.07Å |
| 160 | L | 59.2 | Low | 52.6 | Low | 129 Ų | 129 | 124.2 Ų | 124.2 | 68% | 0.675 | 65% | 0.645 | S | S | * | * | | | trans | 57.5 | 12.9 | -172.2 | -60.3 | 173.3 | 0 | 0 | 0 | 114.1 | D156 | D156-L160 PolarHBondContact O-N 3.04Å; D156-L160 VanDerWaalsContact O-N 3.09Å |
| 161 | Q | 49.3 | Very low | 53.3 | Low | 149 Ų | 149 | 127 Ų | 127 | 70% | 0.696 | 65% | 0.652 | S | S | * | * | | | trans | -82.4 | 136.2 | 173.4 | -64.3 | -172.2 | -4.6 | 0 | 0 | 109.8 | D156 T159 | D156-Q161 PolarHBondContact N-O 3.48Å; T159-Q161 PolarHBondContact O-N 3.35Å; T159-Q161 VanDerWaalsContact O-N 3.07Å |
| 162 | G | 59.8 | Low | 54 | Low | 31 Ų | 31 | 123.9 Ų | 123.9 | 32% | 0.32 | 64% | 0.638 | S | S | . | * | S | Bend | trans | 142.3 | 139.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110 | R155 | R155-G162 PolarHBondContact NE-O 3.04Å; R155-G162 VanDerWaalsContact NE-O 3.12Å; R155-G162 PolarHBondContact NH2-O 3.14Å |
| 163 | D | 52.6 | Low | 54.4 | Low | 151 Ų | 151 | 124.2 Ų | 124.2 | 81% | 0.807 | 64% | 0.642 | S | S | * | * | | | trans | -63.3 | 154.3 | -173 | -149.1 | -25.3 | 0 | 0 | 0 | 111.6 | R155 | R155-D163 PolarHBondContact NE-O 3.11Š|
| 164 | L | 57.2 | Low | 54.2 | Low | 112 Ų | 112 | 124.3 Ų | 124.3 | 59% | 0.586 | 64% | 0.642 | S | S | * | * | | | trans | -85.6 | -17.2 | -177.9 | -80.8 | 167.5 | 0 | 0 | 0 | 113.1 | | |
| 165 | G | 55.3 | Low | 53.8 | Low | 48 Ų | 48 | 120.3 Ų | 120.3 | 50% | 0.495 | 63% | 0.634 | S | S | . | * | | | trans | 73.9 | -175 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E167 | G165-E167 PolarHBondContact O-N 3.5Š|
| 166 | E | 55.2 | Low | 53.1 | Low | 166 Ų | 166 | 117.5 Ų | 117.5 | 78% | 0.776 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -71.5 | 110.8 | 172 | -71.4 | -166 | 148.8 | 0 | 0 | 109.9 | L168 | E166-L168 PolarHBondContact O-N 2.83Š|
| 167 | E | 53.8 | Low | 52.8 | Low | 163 Ų | 163 | 124.8 Ų | 124.8 | 76% | 0.762 | 66% | 0.66 | S | S | * | * | | | trans | -56.7 | 121.5 | 171.1 | -70.2 | -170.1 | 162.3 | 0 | 0 | 110.4 | G165 D169 | G165-E167 PolarHBondContact O-N 3.5Å; E167-D169 PolarHBondContact O-N 2.89Å |
| 168 | L | 51.9 | Low | 52 | Low | 153 Ų | 153 | 124.3 Ų | 124.3 | 80% | 0.801 | 66% | 0.657 | S | S | * | * | | | trans | -70.5 | 95 | 176.4 | -72.8 | 172.8 | 0 | 0 | 0 | 110.2 | E166 M170 | E166-L168 PolarHBondContact O-N 2.83Å; L168-M170 PolarHBondContact O-N 2.82Å |
| 169 | D | 56.2 | Low | 51.1 | Low | 74 Ų | 74 | 129 Ų | 129 | 40% | 0.396 | 67% | 0.665 | S | S | . | * | | | trans | -49.3 | 111.7 | 168.6 | 172.6 | 8 | 0 | 0 | 0 | 109.6 | E167 F171 R172 | E167-D169 PolarHBondContact O-N 2.89Å; D169-F171 PolarHBondContact O-N 2.86Å; D169-F171 VanDerWaalsContact O-N 3.09Å; D169-F171 WeakPolarHBondContact OD1-CB 3.28Å; D169-F171 PolarHBondContact OD1-N 3.36Å; D169-R172 HydrophobicContact CB-CB 4.12Å; D169-R172 HydrophobicContact CB-CG 4.43Å; D169-R172 CarbonylContact O-C 3.56Å; D169-R172 WeakPolarHBondContact O-CA 3.31Å; D169-R172 PolarHBondContact O-N 3.27Å; D169-R172 WeakPolarHBondContact OD2-CD 3.33Å; D169-R172 WeakPolarHBondContact OD2-CG 3.34Å; D169-R172 IonicContact OD2-NE 2.82Å |
| 170 | M | 57.4 | Low | 49.9 | Very low | 169 Ų | 169 | 132.4 Ų | 132.4 | 83% | 0.833 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -13.8 | -176 | -169.7 | 167.1 | 65.7 | 0 | 0 | 112.9 | L168 | L168-M170 PolarHBondContact O-N 2.82Š|
| 171 | F | 53.5 | Low | 48.6 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 79% | 0.794 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 2.9 | 170.5 | -58.8 | -80.5 | 0 | 0 | 0 | 113.3 | D169 | D169-F171 PolarHBondContact O-N 2.86Å; D169-F171 VanDerWaalsContact O-N 3.09Å; D169-F171 WeakPolarHBondContact OD1-CB 3.28Å; D169-F171 PolarHBondContact OD1-N 3.36Å |
| 172 | R | 54.3 | Low | 48.1 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 55% | 0.551 | 70% | 0.697 | S | S | * | * | | | trans | -134.2 | 68.1 | 178.1 | -68.2 | -179.1 | 175.1 | -140.5 | -5.5 | 112.7 | D169 H174 | D169-R172 HydrophobicContact CB-CB 4.12Å; D169-R172 HydrophobicContact CB-CG 4.43Å; D169-R172 CarbonylContact O-C 3.56Å; D169-R172 WeakPolarHBondContact O-CA 3.31Å; D169-R172 PolarHBondContact O-N 3.27Å; D169-R172 WeakPolarHBondContact OD2-CD 3.33Å; D169-R172 WeakPolarHBondContact OD2-CG 3.34Å; D169-R172 IonicContact OD2-NE 2.82Å; R172-H174 PolarHBondContact O-N 2.78Å |
| 173 | P | 50.6 | Low | 46.8 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 19 | -178.4 | 30.8 | -38.8 | 0 | 0 | 0 | 115.7 | | |
| 174 | H | 45.7 | Very low | 45.7 | Very low | 177 Ų | 177 | 142.6 Ų | 142.6 | 82% | 0.819 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.2 | 20.3 | -172.2 | -63.7 | -21.1 | 0 | 0 | 0 | 113.9 | R172 | R172-H174 PolarHBondContact O-N 2.78Š|
| 175 | G | 37.3 | Very low | 44.4 | Very low | 55 Ų | 55 | 144.8 Ų | 144.8 | 57% | 0.567 | 72% | 0.718 | S | S | * | * | | | trans | 57.7 | 62.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R177 | G175-R177 VanDerWaalsContact C-N 3.34Å; G175-R177 PolarHBondContact O-N 2.76Å |
| 176 | G | 33.9 | Very low | 43.4 | Very low | 46 Ų | 46 | 150.6 Ų | 150.6 | 47% | 0.474 | 74% | 0.736 | S | S | . | * | | | trans | -70.1 | 80.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 177 | R | 46.6 | Very low | 42.4 | Very low | 225 Ų | 225 | 151.2 Ų | 151.2 | 85% | 0.849 | 74% | 0.739 | S | S | * | * | | | trans | -6.7 | 127.3 | -179.7 | -74.9 | -171.7 | 174.1 | -151 | -2.4 | 116.3 | G175 R179 | G175-R177 VanDerWaalsContact C-N 3.34Å; G175-R177 PolarHBondContact O-N 2.76Å; R177-R179 PolarHBondContact O-N 3.12Å |
| 178 | P | 42.2 | Very low | 41.3 | Very low | 103 Ų | 103 | 149.1 Ų | 149.1 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | | | trans | -57.6 | 128.7 | 176.5 | 24.3 | -33.9 | 0 | 0 | 0 | 111.1 | N180 | P178-N180 PolarHBondContact O-N 2.85Š|
| 179 | R | 38.8 | Very low | 40.6 | Very low | 250 Ų | 250 | 146.9 Ų | 146.9 | 94% | 0.943 | 73% | 0.734 | S | S | * | * | | | trans | -73.1 | 109.8 | 176.5 | -93.6 | -177.6 | 165.7 | 166 | -4.3 | 109.3 | R177 | R177-R179 PolarHBondContact O-N 3.12Š|
| 180 | N | 37 | Very low | 39.4 | Very low | 144 Ų | 144 | 154.3 Ų | 154.3 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | trans | 17.4 | 114.7 | 167.9 | -79 | 3.8 | 0 | 0 | 0 | 117.4 | P178 I182 | P178-N180 PolarHBondContact O-N 2.85Å; N180-I182 PolarHBondContact O-N 2.86Å; N180-I182 VanDerWaalsContact O-N 3.09Å |
| 181 | K | 33 | Very low | 38.3 | Very low | 209 Ų | 209 | 150.9 Ų | 150.9 | 91% | 0.909 | 75% | 0.749 | S | S | * | * | | | trans | -45.8 | 115.2 | 163.1 | -58.9 | -179.1 | 179.5 | -174.2 | 0 | 110.5 | | |
| 182 | I | 37.6 | Very low | 37.3 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | | | trans | -121.6 | 80.9 | 160.7 | -58.4 | -177.7 | 0 | 0 | 0 | 106.8 | N180 | N180-I182 PolarHBondContact O-N 2.86Å; N180-I182 VanDerWaalsContact O-N 3.09Å |
| 183 | D | 32.2 | Very low | 37 | Very low | 100 Ų | 100 | 148 Ų | 148 | 54% | 0.535 | 76% | 0.763 | S | S | . | * | | | trans | 29.9 | 120.4 | 135.9 | -94.4 | 36 | 0 | 0 | 0 | 120.3 | | |
| 184 | R | 29.7 | Very low | 37 | Very low | 208 Ų | 208 | 150.9 Ų | 150.9 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | trans | 92 | 128.7 | 143 | -56.7 | 157.2 | -152.2 | -173.7 | 9.5 | 118.5 | | |
| 185 | N | 30.5 | Very low | 36.8 | Very low | 159 Ų | 159 | 146.5 Ų | 146.5 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | | | trans | 55.2 | 72.3 | 151 | -62.1 | 9.1 | 0 | 0 | 0 | 118.1 | | |
| 186 | I | 34.8 | Very low | 36.8 | Very low | 169 Ų | 169 | 147.9 Ų | 147.9 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | | | trans | -121 | 127.5 | 138.4 | -59.9 | -178.1 | 0 | 0 | 0 | 106.9 | | |
| 187 | H | 33.9 | Very low | 36.7 | Very low | 180 Ų | 180 | 155.3 Ų | 155.3 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | | | trans | -72.9 | 142.8 | -171.1 | -137.8 | -90.4 | 0 | 0 | 0 | 111.1 | S189 | H187-S189 PolarHBondContact O-N 3.08Š|
| 188 | V | 30.7 | Very low | 36.1 | Very low | 118 Ų | 118 | 149.3 Ų | 149.3 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | | | trans | -66.7 | 118.5 | 176.2 | 176 | 0 | 0 | 0 | 0 | 109.6 | R190 | V188-R190 HydrophobicContact CG1-CG 4.07Š|
| 189 | S | 36.3 | Very low | 35.7 | Very low | 106 Ų | 106 | 151.8 Ų | 151.8 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | trans | -107.4 | 96.2 | 165 | -63.5 | 0 | 0 | 0 | 0 | 108.5 | H187 S191 | H187-S189 PolarHBondContact O-N 3.08Å; S189-S191 PolarHBondContact O-N 3.06Å |
| 190 | R | 32.1 | Very low | 35.5 | Very low | 230 Ų | 230 | 150 Ų | 150 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | | | trans | -71.7 | 116.5 | 168.5 | -81.4 | 177.1 | 168.7 | 164.5 | -6.1 | 108.3 | V188 | V188-R190 HydrophobicContact CG1-CG 4.07Š|
| 191 | S | 34.5 | Very low | 35.5 | Very low | 98 Ų | 98 | 150.7 Ų | 150.7 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | | | trans | -99.6 | 100.9 | 176.6 | -60.5 | 0 | 0 | 0 | 0 | 109.9 | S189 S193 | S189-S191 PolarHBondContact O-N 3.06Å; S191-S193 PolarHBondContact O-N 2.85Å; S191-S193 VanDerWaalsContact O-N 3.15Å |
| 192 | D | 32.4 | Very low | 35.3 | Very low | 136 Ų | 136 | 146.6 Ų | 146.6 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | -69.5 | 108 | 173 | -78.8 | -41.1 | 0 | 0 | 0 | 110.5 | I194 S195 | D192-I194 PolarHBondContact O-N 2.87Å; D192-S195 PolarHBondContact O-N 3.2Å |
| 193 | S | 48.1 | Very low | 34.9 | Very low | 129 Ų | 129 | 147 Ų | 147 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | 3.5 | -176.1 | -53.1 | 0 | 0 | 0 | 0 | 115.9 | S191 | S191-S193 PolarHBondContact O-N 2.85Å; S191-S193 VanDerWaalsContact O-N 3.15Å |
| 194 | I | 49.3 | Very low | 35.1 | Very low | 169 Ų | 169 | 149.1 Ų | 149.1 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -25.4 | -173.4 | -59.1 | 175.7 | 0 | 0 | 0 | 111.9 | D192 | D192-I194 PolarHBondContact O-N 2.87Š|
| 195 | S | 42.8 | Very low | 35 | Very low | 86 Ų | 86 | 147.5 Ų | 147.5 | 60% | 0.601 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -22.8 | -167.3 | -168.8 | 0 | 0 | 0 | 0 | 114.9 | D192 R197 | D192-S195 PolarHBondContact O-N 3.2Å; S195-R197 PolarHBondContact O-N 3.21Å |
| 196 | G | 35.9 | Very low | 35.5 | Very low | 84 Ų | 84 | 144.8 Ų | 144.8 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | | | trans | 65.2 | -2.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 197 | R | 31.8 | Very low | 35.4 | Very low | 201 Ų | 201 | 143.1 Ų | 143.1 | 76% | 0.758 | 78% | 0.781 | S | S | * | * | | | trans | -103 | 115.1 | 177.3 | -72.2 | -172.8 | 174.6 | -161.4 | 1.7 | 111.6 | S195 | S195-R197 PolarHBondContact O-N 3.21Š|
| 198 | C | 35.3 | Very low | 35.4 | Very low | 100 Ų | 100 | 141 Ų | 141 | 68% | 0.676 | 78% | 0.775 | S | S | * | * | | | trans | -106.8 | 109 | 163.5 | -61.2 | 0 | 0 | 0 | 0 | 108.4 | Y200 | C198-Y200 PolarHBondContact O-N 2.98Š|
| 199 | E | 33.4 | Very low | 35.5 | Very low | 154 Ų | 154 | 143 Ų | 143 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | | | trans | -78.5 | 110 | 177.2 | -67.2 | -175 | 166.5 | 0 | 0 | 110 | N201 | E199-N201 PolarHBondContact O-N 3.16Å; E199-N201 VanDerWaalsContact O-N 3.1Å |
| 200 | Y | 34.4 | Very low | 35.3 | Very low | 212 Ų | 212 | 147.4 Ų | 147.4 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | | | trans | -78.4 | 91 | 178.6 | -80.2 | -87.9 | 0 | 0 | 0 | 110.8 | C198 V202 | C198-Y200 PolarHBondContact O-N 2.98Å; Y200-V202 PolarHBondContact O-N 2.94Å |
| 201 | N | 36.1 | Very low | 35.5 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | | | trans | -67.6 | 111.7 | 164.1 | -76.9 | -36.5 | 0 | 0 | 0 | 109.8 | E199 | E199-N201 PolarHBondContact O-N 3.16Å; E199-N201 VanDerWaalsContact O-N 3.1Å |
| 202 | V | 30 | Very low | 35.3 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | trans | -75.3 | 175.4 | 171.3 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | Y200 | Y200-V202 PolarHBondContact O-N 2.94Š|
| 203 | E | 29.6 | Very low | 35.4 | Very low | 165 Ų | 165 | 151 Ų | 151 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | | | trans | 75 | 101 | 174.2 | -47.4 | 178.8 | -172.2 | 0 | 0 | 114.1 | | |
| 204 | N | 35.1 | Very low | 34.6 | Very low | 145 Ų | 145 | 152.6 Ų | 152.6 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | | | | -164.1 | 129 | 72.9 | -94.8 | -85 | 0 | 0 | 0 | 112.2 | | |
| 205 | N | 29.2 | Very low | 33.5 | Very low | 173 Ų | 173 | 149.3 Ų | 149.3 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | | | trans | -114 | 119.3 | 170.6 | -116.9 | -16.9 | 0 | 0 | 0 | 108.1 | | |
| 206 | S | 40.2 | Very low | 33 | Very low | 102 Ų | 102 | 153.2 Ų | 153.2 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | trans | -140.8 | 108.3 | 177.3 | 58.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 207 | V | 33.2 | Very low | 32.7 | Very low | 135 Ų | 135 | 158.7 Ų | 158.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | 74.8 | 110.6 | 143.5 | -175.1 | 0 | 0 | 0 | 0 | 119 | | |
| 208 | N | 32.1 | Very low | 32.8 | Very low | 134 Ų | 134 | 156.2 Ų | 156.2 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | | | trans | -55 | 157.1 | 165.2 | -48.6 | -63.1 | 0 | 0 | 0 | 114.2 | | |
| 209 | H | 32.9 | Very low | 32.7 | Very low | 160 Ų | 160 | 158.5 Ų | 158.5 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | | | | 168.3 | 129.3 | 108.5 | -86.1 | -62.5 | 0 | 0 | 0 | 111.7 | | |
| 210 | Y | 33.1 | Very low | 32.6 | Very low | 199 Ų | 199 | 157.2 Ų | 157.2 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | | | | 174.9 | 142.6 | 103.5 | -106 | -72.5 | 0 | 0 | 0 | 114.3 | | |
| 211 | N | 36.2 | Very low | 32.5 | Very low | 132 Ų | 132 | 156.1 Ų | 156.1 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | trans | 61.6 | 88.1 | 158 | -64.6 | -31.3 | 0 | 0 | 0 | 119.5 | | |
| 212 | E | 29.9 | Very low | 32.3 | Very low | 183 Ų | 183 | 159.7 Ų | 159.7 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | | | trans | -50.9 | 153.6 | 143.9 | -52.4 | 161.8 | 122.6 | 0 | 0 | 111.8 | | |
| 213 | R | 34.5 | Very low | 32.4 | Very low | 226 Ų | 226 | 164.8 Ų | 164.8 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | trans | -156.5 | 113.4 | 143.9 | -117.9 | -167.6 | -80.6 | -132.3 | -1.5 | 113.2 | | |
| 214 | Q | 31.4 | Very low | 32.7 | Very low | 161 Ų | 161 | 160.7 Ų | 160.7 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | trans | 62.1 | 88.1 | 149.9 | -57.4 | -59.8 | -48.4 | 0 | 0 | 118.4 | | |
| 215 | C | 26.6 | Very low | 32.8 | Very low | 101 Ų | 101 | 165 Ų | 165 | 68% | 0.682 | 80% | 0.796 | S | S | * | * | | | | 19 | 125.3 | 126.9 | -47.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 216 | N | 31.4 | Very low | 33.5 | Very low | 168 Ų | 168 | 161 Ų | 161 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | | | trans | -157 | 98.7 | 138.3 | -101.9 | -33.5 | 0 | 0 | 0 | 109.4 | E218 | N216-E218 VanDerWaalsContact C-N 3.28Å; N216-E218 PolarHBondContact O-N 2.8Å |
| 217 | E | 30 | Very low | 33.8 | Very low | 198 Ų | 198 | 160.4 Ų | 160.4 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | | | trans | -81.6 | 52.7 | -171.7 | -64.3 | 179.6 | 99.5 | 0 | 0 | 113.7 | | |
| 218 | E | 35 | Very low | 34.6 | Very low | 150 Ų | 150 | 157.2 Ų | 157.2 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | trans | -139.8 | 55.4 | 180 | -143.3 | -175.6 | -176.6 | 0 | 0 | 115.9 | N216 R221 | N216-E218 VanDerWaalsContact C-N 3.28Å; N216-E218 PolarHBondContact O-N 2.8Å; E218-R221 IonicContact OE1-NH2 3.21Å |
| 219 | N | 32.5 | Very low | 35.3 | Very low | 147 Ų | 147 | 153.7 Ų | 153.7 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | | | trans | -143.7 | 23.4 | 159.4 | -123.2 | -23 | 0 | 0 | 0 | 115.9 | R221 | N219-R221 PolarHBondContact O-N 3.34Š|
| 220 | S | 30.8 | Very low | 36.2 | Very low | 128 Ų | 128 | 151.4 Ų | 151.4 | 90% | 0.895 | 74% | 0.737 | S | S | * | * | | | trans | -76.3 | 64.3 | 168.6 | -165.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 221 | R | 33 | Very low | 37.2 | Very low | 189 Ų | 189 | 148.7 Ų | 148.7 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | | | trans | -118.9 | 82.2 | 178.6 | -70.5 | -165.1 | -176 | -149.7 | 4.2 | 111.9 | E218 N219 Y223 | E218-R221 IonicContact OE1-NH2 3.21Å; N219-R221 PolarHBondContact O-N 3.34Å; R221-Y223 PolarHBondContact O-N 3.4Å |
| 222 | R | 30.9 | Very low | 38.3 | Very low | 233 Ų | 233 | 146.1 Ų | 146.1 | 88% | 0.879 | 72% | 0.724 | S | S | * | * | | | trans | 34.8 | 88 | 144.3 | -58.1 | 177.9 | -176.9 | 174.5 | 0 | 115.1 | S224 | R222-S224 PolarHBondContact O-N 2.61Š|
| 223 | Y | 32.2 | Very low | 39.4 | Very low | 232 Ų | 232 | 144.5 Ų | 144.5 | 91% | 0.91 | 72% | 0.716 | S | S | * | * | | | trans | -68.7 | 80.6 | 150.4 | -92 | -84.4 | 0 | 0 | 0 | 108.5 | R221 Y225 | R221-Y223 PolarHBondContact O-N 3.4Å; Y223-Y225 PolarHBondContact O-N 3.47Å |
| 224 | S | 36.3 | Very low | 39.7 | Very low | 78 Ų | 78 | 136.8 Ų | 136.8 | 55% | 0.545 | 70% | 0.697 | S | S | . | * | | | trans | -66 | 121.2 | 168.3 | 49.4 | 0 | 0 | 0 | 0 | 108.3 | R222 L226 | R222-S224 PolarHBondContact O-N 2.61Å; S224-L226 PolarHBondContact O-N 3.41Å |
| 225 | Y | 37.6 | Very low | 40.7 | Very low | 236 Ų | 236 | 135 Ų | 135 | 93% | 0.925 | 69% | 0.691 | S | S | * | * | | | trans | -65.4 | 82.7 | 167.4 | -76.9 | -99.4 | 0 | 0 | 0 | 109 | Y223 A227 | Y223-Y225 PolarHBondContact O-N 3.47Å; Y225-A227 PolarHBondContact O-N 2.85Å |
| 226 | L | 43.8 | Very low | 41.5 | Very low | 90 Ų | 90 | 133.2 Ų | 133.2 | 47% | 0.471 | 68% | 0.678 | S | S | . | * | | | trans | -69.3 | 99.6 | 168.9 | -67.8 | 178 | 0 | 0 | 0 | 107.1 | S224 T228 P236 T238 | S224-L226 PolarHBondContact O-N 3.41Å; L226-T228 PolarHBondContact O-N 3.18Å; L226-P236 HydrophobicContact CB-CG 4.45Å; L226-P236 HydrophobicContact CD1-CG 4.45Å; L226-T238 HydrophobicContact CD1-CG2 4.48Å |
| 227 | A | 45.4 | Very low | 42 | Very low | 88 Ų | 88 | 133.7 Ų | 133.7 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 120.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109 | Y225 | Y225-A227 PolarHBondContact O-N 2.85Š|
| 228 | T | 50.9 | Low | 42.6 | Very low | 69 Ų | 69 | 129 Ų | 129 | 42% | 0.423 | 66% | 0.66 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 142.5 | 163 | 35.2 | 0 | 0 | 0 | 0 | 108.9 | L226 P230 L235 | L226-T228 PolarHBondContact O-N 3.18Å; T228-P230 WeakPolarHBondContact O-CD 3.49Å; T228-L235 HydrophobicContact CG2-CD2 3.61Å; T228-L235 HydrophobicContact CG2-CG 3.99Å |
| 229 | D | 46.1 | Very low | 42.5 | Very low | 60 Ų | 60 | 131.1 Ų | 131.1 | 32% | 0.321 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 122 | 174 | 171.1 | 4.6 | 0 | 0 | 0 | 109.3 | I231 T232 H233 S234 | D229-I231 PolarHBondContact O-N 2.74Å; D229-I231 WeakPolarHBondContact OD1-CB 3.26Å; D229-I231 PolarHBondContact OD1-N 3.37Å; D229-T232 WeakPolarHBondContact CB-OG1 3.47Å; D229-T232 VanDerWaalsContact CG-OG1 3.24Å; D229-T232 PolarHBondContact O-N 2.77Å; D229-T232 WeakPolarHBondContact OD2-CG2 3.4Å; D229-T232 PolarHBondContact OD2-OG1 2.79Å; D229-H233 VanDerWaalsContact O-CA 3.31Å; D229-H233 WeakPolarHBondContact O-CA 3.19Å; D229-H233 PolarHBondContact O-N 2.88Å; D229-S234 PolarHBondContact N-O 2.87Å |
| 230 | P | 53 | Low | 42.6 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -6.6 | -178.6 | 30.6 | -36.8 | 0 | 0 | 0 | 114 | T228 | T228-P230 WeakPolarHBondContact O-CD 3.49Š|
| 231 | I | 53.8 | Low | 42.6 | Very low | 141 Ų | 141 | 132.8 Ų | 132.8 | 72% | 0.723 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -36.8 | 177.6 | -57.4 | 178.8 | 0 | 0 | 0 | 111.2 | D229 | D229-I231 PolarHBondContact O-N 2.74Å; D229-I231 WeakPolarHBondContact OD1-CB 3.26Å; D229-I231 PolarHBondContact OD1-N 3.37Å |
| 232 | T | 59.3 | Low | 42.6 | Very low | 79 Ų | 79 | 134.4 Ų | 134.4 | 49% | 0.485 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.9 | -14.1 | -172.4 | 61.8 | 0 | 0 | 0 | 0 | 114.8 | D229 S234 | D229-T232 WeakPolarHBondContact CB-OG1 3.47Å; D229-T232 VanDerWaalsContact CG-OG1 3.24Å; D229-T232 PolarHBondContact O-N 2.77Å; D229-T232 WeakPolarHBondContact OD2-CG2 3.4Å; D229-T232 PolarHBondContact OD2-OG1 2.79Å; T232-S234 PolarHBondContact O-N 3.42Å; T232-S234 PolarHBondContact OG1-N 2.85Å; T232-S234 PolarHBondContact OG1-OG 3.48Å |
| 233 | H | 52.8 | Low | 42.8 | Very low | 149 Ų | 149 | 128.5 Ų | 128.5 | 69% | 0.69 | 67% | 0.67 | S | S | * | * | | | trans | 55.1 | 7.5 | -167.5 | -64.5 | -64.8 | 0 | 0 | 0 | 115.6 | D229 | D229-H233 VanDerWaalsContact O-CA 3.31Å; D229-H233 WeakPolarHBondContact O-CA 3.19Å; D229-H233 PolarHBondContact O-N 2.88Å |
| 234 | S | 40.7 | Very low | 42.7 | Very low | 64 Ų | 64 | 126.2 Ų | 126.2 | 45% | 0.448 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -69 | 136.7 | 177.6 | 63.8 | 0 | 0 | 0 | 0 | 111.3 | D229 T232 | D229-S234 PolarHBondContact N-O 2.87Å; T232-S234 PolarHBondContact O-N 3.42Å; T232-S234 PolarHBondContact OG1-N 2.85Å; T232-S234 PolarHBondContact OG1-OG 3.48Å |
| 235 | L | 52.9 | Low | 42.5 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 64% | 0.644 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 141.6 | 163.3 | -74.7 | 165.4 | 0 | 0 | 0 | 108.6 | T228 E237 | T228-L235 HydrophobicContact CG2-CD2 3.61Å; T228-L235 HydrophobicContact CG2-CG 3.99Å; L235-E237 PolarHBondContact O-N 3.15Å |
| 236 | P | 43.8 | Very low | 42.2 | Very low | 63 Ų | 63 | 121.5 Ų | 121.5 | 41% | 0.409 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 131.6 | 175.2 | 26.9 | -33.8 | 0 | 0 | 0 | 110.4 | L226 T238 | L226-P236 HydrophobicContact CB-CG 4.45Å; L226-P236 HydrophobicContact CD1-CG 4.45Å; P236-T238 PolarHBondContact O-N 2.89Å |
| 237 | E | 42.4 | Very low | 41.8 | Very low | 178 Ų | 178 | 128.8 Ų | 128.8 | 83% | 0.832 | 69% | 0.687 | S | S | * | * | | | trans | -71 | 71.3 | 179.4 | -65.9 | -167.2 | 151.4 | 0 | 0 | 112.4 | L235 K239 | L235-E237 PolarHBondContact O-N 3.15Å; E237-K239 PolarHBondContact O-N 3.31Å |
| 238 | T | 41.8 | Very low | 41.1 | Very low | 99 Ų | 99 | 132.4 Ų | 132.4 | 61% | 0.607 | 69% | 0.688 | S | S | * | * | | | trans | -71.4 | 93.8 | 175.8 | 56.7 | 0 | 0 | 0 | 0 | 110.2 | L226 P236 L240 | L226-T238 HydrophobicContact CD1-CG2 4.48Å; P236-T238 PolarHBondContact O-N 2.89Å; T238-L240 PolarHBondContact O-N 3.09Å |
| 239 | K | 32.3 | Very low | 40.3 | Very low | 196 Ų | 196 | 140.3 Ų | 140.3 | 85% | 0.852 | 71% | 0.712 | S | S | * | * | | | trans | -53.9 | 93.4 | 178 | -62.3 | 173.7 | -177.3 | 175.6 | 0 | 112 | E237 | E237-K239 PolarHBondContact O-N 3.31Š|
| 240 | L | 36 | Very low | 39.9 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | | | trans | -123.2 | 100.4 | 170.9 | -147.6 | 81.2 | 0 | 0 | 0 | 111.3 | T238 R242 | T238-L240 PolarHBondContact O-N 3.09Å; L240-R242 PolarHBondContact O-N 3.14Å |
| 241 | V | 30.9 | Very low | 38.8 | Very low | 140 Ų | 140 | 149.3 Ų | 149.3 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | | | trans | -76.6 | 115.9 | -179.7 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 242 | R | 32.8 | Very low | 37.8 | Very low | 223 Ų | 223 | 147.2 Ų | 147.2 | 84% | 0.842 | 74% | 0.743 | S | S | * | * | | | trans | -157.7 | 142.6 | 151.6 | -138.6 | 170.5 | -179.9 | 83.3 | -0.9 | 115.7 | L240 | L240-R242 PolarHBondContact O-N 3.14Š|
| 243 | S | 33.3 | Very low | 36.4 | Very low | 108 Ų | 108 | 155.8 Ų | 155.8 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | trans | 55.5 | 93 | 158.5 | 39 | 0 | 0 | 0 | 0 | 117.6 | | |
| 244 | Q | 30.1 | Very low | 35.5 | Very low | 185 Ų | 185 | 152.1 Ų | 152.1 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | | | trans | -61.1 | 140.6 | 162.5 | -61.6 | 163.7 | -16.7 | 0 | 0 | 111.4 | V246 | Q244-V246 HydrophobicContact CB-CG2 4.48Š|
| 245 | S | 34.1 | Very low | 35.1 | Very low | 122 Ų | 122 | 155.8 Ų | 155.8 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | -139 | 114.8 | 143.4 | 76.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 246 | V | 30.2 | Very low | 34.2 | Very low | 93 Ų | 93 | 158.8 Ų | 158.8 | 56% | 0.564 | 79% | 0.792 | S | S | * | * | | | trans | -93 | 126.2 | -164 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | Q244 H248 | Q244-V246 HydrophobicContact CB-CG2 4.48Å; V246-H248 VanDerWaalsContact CG1-CE1 3.43Å; V246-H248 WeakPolarHBondContact CG1-CE1 3.43Å |
| 247 | R | 35.6 | Very low | 33.8 | Very low | 243 Ų | 243 | 162.8 Ų | 162.8 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | | | trans | -135.2 | 93.7 | 157.5 | -65.9 | -167.8 | -171.4 | -161.5 | 4.4 | 109.3 | Y249 | R247-Y249 PolarHBondContact O-N 2.92Š|
| 248 | H | 30.2 | Very low | 33.4 | Very low | 163 Ų | 163 | 159.9 Ų | 159.9 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | | | trans | -65.3 | 128.7 | 173.6 | -61.2 | 116.1 | 0 | 0 | 0 | 110.9 | V246 | V246-H248 VanDerWaalsContact CG1-CE1 3.43Å; V246-H248 WeakPolarHBondContact CG1-CE1 3.43Å |
| 249 | Y | 33.9 | Very low | 33.3 | Very low | 236 Ų | 236 | 162.9 Ų | 162.9 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | | | trans | -140.4 | 146.6 | 147.1 | -91.6 | -74.9 | 0 | 0 | 0 | 109.3 | R247 | R247-Y249 PolarHBondContact O-N 2.92Š|
| 250 | K | 37.8 | Very low | 33.3 | Very low | 192 Ų | 192 | 156.8 Ų | 156.8 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | | | trans | -88.6 | 123.7 | -166.5 | -71.8 | -172.4 | 175.5 | -170.5 | 0 | 112.7 | | |
| 251 | E | 30.1 | Very low | 33.2 | Very low | 169 Ų | 169 | 159.1 Ų | 159.1 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | | | | 43.4 | 95 | 118.4 | -167.6 | 171.2 | -130.5 | 0 | 0 | 117.9 | | |
| 252 | A | 32.4 | Very low | 33.2 | Very low | 96 Ų | 96 | 160.2 Ų | 160.2 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | | | trans | -158.6 | 77 | 154.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | A254 | A252-A254 PolarHBondContact O-N 3.3Š|
| 253 | W | 30 | Very low | 33.3 | Very low | 259 Ų | 259 | 158.7 Ų | 158.7 | 98% | 0.981 | 81% | 0.809 | S | S | * | * | | | trans | -86.7 | 98.9 | -178.5 | -74.6 | 78.8 | 0 | 0 | 0 | 111.3 | | |
| 254 | A | 34.2 | Very low | 33.5 | Very low | 73 Ų | 73 | 165.3 Ų | 165.3 | 60% | 0.603 | 82% | 0.817 | S | S | * | * | | | trans | -133.8 | 125.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | A252 | A252-A254 PolarHBondContact O-N 3.3Š|
| 255 | T | 32.6 | Very low | 33.6 | Very low | 140 Ų | 140 | 162.9 Ų | 162.9 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | | | trans | 31.2 | 98.6 | 159.3 | 55.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 256 | H | 33.4 | Very low | 33.6 | Very low | 186 Ų | 186 | 162.4 Ų | 162.4 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | | | trans | -133 | 113.2 | 164.1 | -105.3 | -73.3 | 0 | 0 | 0 | 112.3 | | |
| 257 | D | 35.8 | Very low | 33.7 | Very low | 148 Ų | 148 | 162.8 Ų | 162.8 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | | | trans | -73.7 | 137.9 | 171.6 | -119.3 | -39.8 | 0 | 0 | 0 | 110.9 | I259 | D257-I259 PolarHBondContact O-N 3.17Š|
| 258 | P | 34.6 | Very low | 33.7 | Very low | 117 Ų | 117 | 156.7 Ų | 156.7 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -93.1 | 34.9 | -174.4 | 37.2 | -36.2 | 0 | 0 | 0 | 115.4 | | |
| 259 | I | 39.2 | Very low | 33.9 | Very low | 162 Ų | 162 | 158.3 Ų | 158.3 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | | | trans | -139.3 | 112 | 158.3 | -77.7 | 104.5 | 0 | 0 | 0 | 108.4 | D257 | D257-I259 PolarHBondContact O-N 3.17Š|
| 260 | G | 33.1 | Very low | 33.9 | Very low | 67 Ų | 67 | 156.9 Ų | 156.9 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | | | trans | -174.2 | 30.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 261 | Y | 32.2 | Very low | 34 | Very low | 219 Ų | 219 | 154.1 Ų | 154.1 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | | | trans | -78.2 | 152.6 | 172.9 | -105.8 | -112.3 | 0 | 0 | 0 | 111.4 | | |
| 262 | M | 32.3 | Very low | 34.1 | Very low | 164 Ų | 164 | 153.8 Ų | 153.8 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | | | trans | 86.6 | 53.2 | 178.2 | -55.2 | -64.1 | 111.1 | 0 | 0 | 118.5 | | |
| 263 | H | 34.6 | Very low | 34.5 | Very low | 191 Ų | 191 | 158.8 Ų | 158.8 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | | | trans | -93.9 | 115.8 | 148.8 | -93.2 | -80.4 | 0 | 0 | 0 | 111 | | |
| 264 | R | 36.6 | Very low | 34.7 | Very low | 246 Ų | 246 | 153.3 Ų | 153.3 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | | | trans | -72.7 | 136.5 | 168.4 | -86.8 | -170.6 | 173.3 | -141.1 | 0.2 | 110.5 | | |
| 265 | T | 32.4 | Very low | 34.8 | Very low | 135 Ų | 135 | 161 Ų | 161 | 83% | 0.828 | 82% | 0.823 | S | S | * | * | | | trans | -62.4 | 132.3 | 173.4 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 266 | S | 34.5 | Very low | 34.7 | Very low | 112 Ų | 112 | 157.9 Ų | 157.9 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | | | trans | -165.9 | 88.8 | 145.3 | -104 | 0 | 0 | 0 | 0 | 112.3 | | |
| 267 | T | 33.2 | Very low | 34.7 | Very low | 101 Ų | 101 | 157.8 Ų | 157.8 | 62% | 0.62 | 82% | 0.821 | S | S | * | * | | | trans | 24.3 | 113.2 | 140.6 | 57.4 | 0 | 0 | 0 | 0 | 119.8 | Y269 | T267-Y269 HydrophobicContact CG2-CE2 4.06Š|
| 268 | S | 35.5 | Very low | 34.7 | Very low | 114 Ų | 114 | 159.6 Ų | 159.6 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | | | | -150.3 | 121.5 | 129.8 | 70.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 269 | Y | 32.7 | Very low | 34.9 | Very low | 198 Ų | 198 | 161.9 Ų | 161.9 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | | | trans | -98 | 130.4 | 177.6 | -44.3 | -87.4 | 0 | 0 | 0 | 108.3 | T267 | T267-Y269 HydrophobicContact CG2-CE2 4.06Š|
| 270 | K | 34.5 | Very low | 34.6 | Very low | 206 Ų | 206 | 162.7 Ų | 162.7 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | | | trans | -112.2 | 113.8 | 166.9 | -81.8 | -171.2 | 174.7 | -177.4 | 0 | 109.8 | | |
| 271 | T | 40 | Very low | 34.8 | Very low | 133 Ų | 133 | 165.1 Ų | 165.1 | 82% | 0.816 | 82% | 0.823 | S | S | * | * | | | trans | -130 | 109.2 | 168.1 | 27.1 | 0 | 0 | 0 | 0 | 108.7 | K273 | T271-K273 PolarHBondContact O-N 2.88Š|
| 272 | D | 32.1 | Very low | 35 | Very low | 162 Ų | 162 | 159.7 Ų | 159.7 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | | | trans | -63.8 | 116.4 | 173.6 | -84.2 | -63.2 | 0 | 0 | 0 | 111 | | |
| 273 | K | 40.6 | Very low | 35 | Very low | 201 Ų | 201 | 160 Ų | 160 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | | | trans | -138.2 | 96.1 | 153.2 | -74.7 | -159.2 | 176.1 | -179.3 | 0 | 112.3 | T271 R275 | T271-K273 PolarHBondContact O-N 2.88Å; K273-R275 PolarHBondContact O-N 2.91Å |
| 274 | V | 34.8 | Very low | 35.1 | Very low | 144 Ų | 144 | 158.8 Ų | 158.8 | 87% | 0.873 | 81% | 0.813 | S | S | * | * | | | trans | -15.1 | 116.6 | 148.1 | -174.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 275 | R | 36.8 | Very low | 35.1 | Very low | 235 Ų | 235 | 154.7 Ų | 154.7 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | | | | 178 | 117 | 127 | -177.8 | 163.5 | 62.3 | -156.3 | 1.1 | 108.7 | K273 | K273-R275 PolarHBondContact O-N 2.91Š|
| 276 | G | 29.9 | Very low | 35.3 | Very low | 74 Ų | 74 | 152.8 Ų | 152.8 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | | | trans | -82.7 | 155.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 277 | M | 33.7 | Very low | 35.4 | Very low | 184 Ų | 184 | 154.4 Ų | 154.4 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | | | trans | -140.4 | 125.5 | 152.6 | -97 | 156.7 | 66.2 | 0 | 0 | 107.9 | | |
| 278 | K | 36.5 | Very low | 35.6 | Very low | 186 Ų | 186 | 157.1 Ų | 157.1 | 81% | 0.809 | 81% | 0.812 | S | S | * | * | | | trans | -68.1 | 156.3 | 163.2 | -59.7 | 171.7 | 178.8 | 176.6 | 0 | 107.9 | | |
| 279 | H | 37.3 | Very low | 35.8 | Very low | 166 Ų | 166 | 156.6 Ų | 156.6 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | | -175.1 | 96 | 128.9 | -98.9 | -74.1 | 0 | 0 | 0 | 112 | | |
| 280 | F | 33.2 | Very low | 35.9 | Very low | 179 Ų | 179 | 153.2 Ų | 153.2 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | trans | 55.5 | 147.2 | 150 | -67.1 | -91.5 | 0 | 0 | 0 | 123.2 | | |
| 281 | P | 38.2 | Very low | 35.8 | Very low | 117 Ų | 117 | 148 Ų | 148 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | | | trans | -96.5 | 168 | 175.4 | 40.1 | -35.1 | 0 | 0 | 0 | 112.5 | | |
| 282 | C | 35 | Very low | 35.7 | Very low | 105 Ų | 105 | 149.1 Ų | 149.1 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | | | trans | -150.3 | 111.7 | 156.8 | -151.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 283 | N | 33.1 | Very low | 35.6 | Very low | 170 Ų | 170 | 150.9 Ų | 150.9 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | | | trans | -129.9 | 130.3 | 150.9 | -133 | 16 | 0 | 0 | 0 | 104.8 | | |
| 284 | K | 37.3 | Very low | 35.4 | Very low | 166 Ų | 166 | 148.2 Ų | 148.2 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | | | trans | -138.6 | 166.1 | -172.2 | -85.9 | -166.1 | 174.3 | -168 | 0 | 110.3 | | |
| 285 | N | 36.3 | Very low | 35.3 | Very low | 160 Ų | 160 | 145.2 Ų | 145.2 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | | | trans | 77.6 | 124.9 | -176.4 | -45.4 | -2.3 | 0 | 0 | 0 | 110.7 | | |
| 286 | S | 36.3 | Very low | 35.2 | Very low | 95 Ų | 95 | 140.9 Ų | 140.9 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | | | cis | -150.5 | 139 | 1.6 | 45.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 287 | D | 37.5 | Very low | 35.4 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | | | trans | 41.8 | 116 | 132.2 | -38.2 | -35.9 | 0 | 0 | 0 | 117 | | |
| 288 | D | 36.4 | Very low | 35.6 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | | | | -146.8 | 172.3 | 59 | -101.8 | -25.7 | 0 | 0 | 0 | 115 | | |
| 289 | P | 40.4 | Very low | 35.7 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | | | trans | -117.3 | -160.4 | -167.9 | 32.5 | -12.6 | 0 | 0 | 0 | 114.1 | | |
| 290 | V | 34.2 | Very low | 35.5 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | | | trans | 76.9 | 122.2 | 163.1 | 178.8 | 0 | 0 | 0 | 0 | 115.8 | | |
| 291 | T | 33.2 | Very low | 35.7 | Very low | 97 Ų | 97 | 139.7 Ų | 139.7 | 60% | 0.595 | 73% | 0.728 | S | S | * | * | | | cis | -164.3 | 158.5 | -11.5 | 22.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 292 | H | 36.3 | Very low | 35.5 | Very low | 157 Ų | 157 | 141.8 Ų | 141.8 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | | | trans | 67.9 | 155.1 | 143.4 | -70.6 | -19.4 | 0 | 0 | 0 | 120.4 | | |
| 293 | R | 30.4 | Very low | 35.6 | Very low | 198 Ų | 198 | 145.9 Ų | 145.9 | 75% | 0.747 | 74% | 0.736 | S | S | * | * | | | cis | -172.9 | 163.3 | -27.1 | -162.1 | -179.2 | -170.1 | 178.7 | 2.1 | 107.5 | | |
| 294 | L | 36.6 | Very low | 35.3 | Very low | 145 Ų | 145 | 147 Ų | 147 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | | | trans | 72.3 | 153.3 | 166.6 | -47.5 | 174.6 | 0 | 0 | 0 | 115.8 | | |
| 295 | S | 32.1 | Very low | 35.3 | Very low | 82 Ų | 82 | 144.9 Ų | 144.9 | 57% | 0.573 | 73% | 0.73 | S | S | * | * | | | cis | -163.7 | 131 | -28.4 | -101 | 0 | 0 | 0 | 0 | 111.5 | | |
| 296 | I | 35.8 | Very low | 35.1 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | | | trans | 48.6 | 167.4 | 130.3 | -25.9 | 168.3 | 0 | 0 | 0 | 119.8 | | |
| 297 | D | 34.5 | Very low | 34.8 | Very low | 124 Ų | 124 | 146 Ų | 146 | 66% | 0.663 | 72% | 0.724 | S | S | * | * | | | trans | 85.2 | 134 | 158.5 | -57.4 | -24.6 | 0 | 0 | 0 | 118.7 | | |
| 298 | H | 37.7 | Very low | 34.4 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 62% | 0.62 | 72% | 0.72 | S | S | * | * | | | cis | -162.4 | 132.1 | -17.6 | -128.2 | -48.4 | 0 | 0 | 0 | 111.7 | | |
| 299 | H | 39 | Very low | 34 | Very low | 164 Ų | 164 | 148.8 Ų | 148.8 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | | | trans | 60.1 | 175.5 | 153.5 | -67.5 | -21.4 | 0 | 0 | 0 | 117.2 | | |
| 300 | R | 32.6 | Very low | 33.7 | Very low | 199 Ų | 199 | 149.5 Ų | 149.5 | 75% | 0.751 | 73% | 0.729 | S | S | * | * | | | cis | -154.9 | 137.9 | 16.1 | -162.4 | 170.9 | 164.2 | 150.4 | -2.7 | 113.8 | | |
| 301 | Q | 37.1 | Very low | 33.5 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 66% | 0.664 | 73% | 0.732 | S | S | * | * | | | trans | 50.9 | 113.8 | 152.5 | -72.5 | 160.6 | -9.7 | 0 | 0 | 119.5 | | |
| 302 | Q | 32.8 | Very low | 33.5 | Very low | 162 Ų | 162 | 149.2 Ų | 149.2 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | | | | 72.3 | 108.7 | 76.7 | -70.6 | -77 | 5.8 | 0 | 0 | 114.3 | | |
| 303 | H | 37.9 | Very low | 33.2 | Very low | 190 Ų | 190 | 151.1 Ų | 151.1 | 88% | 0.88 | 75% | 0.749 | S | S | * | * | | | | 177.5 | 140.8 | 122.3 | -95.6 | -70.1 | 0 | 0 | 0 | 110.6 | | |
| 304 | R | 27.4 | Very low | 33.2 | Very low | 193 Ų | 193 | 146.6 Ų | 146.6 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | | | trans | -133.1 | 128.8 | 179 | 173.4 | -178.6 | 179.4 | 174.2 | 1.7 | 110.4 | | |
| 305 | P | 36.9 | Very low | 32.8 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | | | trans | -97.3 | 167.9 | 148.2 | -13.6 | 31.8 | 0 | 0 | 0 | 112.4 | | |
| 306 | Q | 31 | Very low | 32.8 | Very low | 131 Ų | 131 | 155.1 Ų | 155.1 | 61% | 0.612 | 76% | 0.762 | S | S | * | * | | | trans | -106.3 | 172 | 176.5 | -73.9 | -91.8 | 57.6 | 0 | 0 | 110.5 | | |
| 307 | L | 30.1 | Very low | 32.5 | Very low | 149 Ų | 149 | 154.4 Ų | 154.4 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | | | trans | 57.7 | 108.4 | 154.9 | -66.8 | 150.3 | 0 | 0 | 0 | 115.7 | | |
| 308 | T | 29.8 | Very low | 32.1 | Very low | 114 Ų | 114 | 155.3 Ų | 155.3 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | | -165.1 | 129.8 | 59.4 | 34.4 | 0 | 0 | 0 | 0 | 111.7 | T310 | T308-T310 PolarHBondContact O-N 3.28Š|
| 309 | Y | 29 | Very low | 31.9 | Very low | 247 Ų | 247 | 156.1 Ų | 156.1 | 97% | 0.969 | 78% | 0.778 | S | S | * | * | | | trans | -88.4 | 96.1 | 163.8 | -90.5 | -90 | 0 | 0 | 0 | 109.3 | | |
| 310 | T | 33.4 | Very low | 31.4 | Very low | 119 Ų | 119 | 159.2 Ų | 159.2 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | | | trans | -77.4 | 138.7 | 162.4 | 46.8 | 0 | 0 | 0 | 0 | 109.2 | T308 S312 | T308-T310 PolarHBondContact O-N 3.28Å; T310-S312 PolarHBondContact O-N 3.01Å; T310-S312 VanDerWaalsContact O-N 3.16Å |
| 311 | A | 29.8 | Very low | 31.2 | Very low | 100 Ų | 100 | 154.8 Ų | 154.8 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | trans | -68.8 | 114.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K313 | A311-K313 PolarHBondContact O-N 3.03Š|
| 312 | S | 32.7 | Very low | 30.8 | Very low | 118 Ų | 118 | 154.5 Ų | 154.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -63 | 124.8 | 173.6 | -70.8 | 0 | 0 | 0 | 0 | 110.8 | T310 S314 | T310-S312 PolarHBondContact O-N 3.01Å; T310-S312 VanDerWaalsContact O-N 3.16Å; S312-S314 PolarHBondContact O-N 2.89Å |
| 313 | K | 30.4 | Very low | 30.7 | Very low | 196 Ų | 196 | 153.2 Ų | 153.2 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | | | trans | -67.3 | 92.3 | -171.4 | -65.6 | 173.7 | 178.9 | 175.2 | 0 | 112.2 | A311 R315 | A311-K313 PolarHBondContact O-N 3.03Å; K313-R315 PolarHBondContact O-N 2.74Å |
| 314 | S | 29.7 | Very low | 30.5 | Very low | 103 Ų | 103 | 151.5 Ų | 151.5 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | trans | -68 | 112.5 | 161.9 | -171.9 | 0 | 0 | 0 | 0 | 109.2 | S312 F316 | S312-S314 PolarHBondContact O-N 2.89Å; S314-F316 PolarHBondContact O-N 2.79Å |
| 315 | R | 28.6 | Very low | 30.7 | Very low | 223 Ų | 223 | 148.2 Ų | 148.2 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | | | trans | -89.1 | 96.7 | 179.7 | -62.9 | 179.3 | -174.1 | 166.4 | 0.7 | 109.5 | K313 | K313-R315 PolarHBondContact O-N 2.74Š|
| 316 | F | 31.8 | Very low | 30.7 | Very low | 183 Ų | 183 | 149.3 Ų | 149.3 | 80% | 0.803 | 80% | 0.795 | S | S | * | * | | | trans | -126 | 87.5 | 168.9 | -92.8 | -83.8 | 0 | 0 | 0 | 112.1 | S314 | S314-F316 PolarHBondContact O-N 2.79Š|
| 317 | N | 30.4 | Very low | 31.1 | Very low | 129 Ų | 129 | 149.5 Ų | 149.5 | 69% | 0.69 | 81% | 0.805 | S | S | * | * | | | trans | 28.6 | 94.8 | 150 | -59.9 | -7 | 0 | 0 | 0 | 118.6 | L319 | N317-L319 PolarHBondContact O-N 3.09Š|
| 318 | T | 27.2 | Very low | 31.1 | Very low | 143 Ų | 143 | 151.1 Ų | 151.1 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | | | trans | -65.6 | 104.8 | 143.9 | -53.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 319 | L | 32 | Very low | 31.4 | Very low | 151 Ų | 151 | 155 Ų | 155 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | | | trans | -126.6 | 108 | 163.1 | -83.4 | -179.3 | 0 | 0 | 0 | 112 | N317 A321 | N317-L319 PolarHBondContact O-N 3.09Å; L319-A321 PolarHBondContact O-N 2.89Å; L319-A321 VanDerWaalsContact O-N 3.09Å |
| 320 | R | 28.2 | Very low | 31.4 | Very low | 229 Ų | 229 | 152.4 Ų | 152.4 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | | | trans | -67.6 | 91.7 | 173.1 | -177.7 | -172.3 | -165 | 176.9 | 4.8 | 109.1 | N322 | R320-N322 PolarHBondContact O-N 2.89Š|
| 321 | A | 29.5 | Very low | 31.3 | Very low | 107 Ų | 107 | 155.9 Ų | 155.9 | 88% | 0.884 | 82% | 0.82 | S | S | * | * | | | trans | -66.2 | 91.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L319 | L319-A321 PolarHBondContact O-N 2.89Å; L319-A321 VanDerWaalsContact O-N 3.09Å |
| 322 | N | 27.8 | Very low | 31.3 | Very low | 135 Ų | 135 | 158.9 Ų | 158.9 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | | | trans | -153.1 | 67.5 | 179.7 | -176.2 | 47.6 | 0 | 0 | 0 | 111.3 | R320 | R320-N322 PolarHBondContact O-N 2.89Š|
| 323 | T | 31.4 | Very low | 31.4 | Very low | 135 Ų | 135 | 161 Ų | 161 | 83% | 0.828 | 82% | 0.822 | S | S | * | * | | | trans | -155.8 | 135.8 | 173.3 | 14.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 324 | N | 33.3 | Very low | 31.4 | Very low | 154 Ų | 154 | 156.4 Ų | 156.4 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | | | trans | -77.8 | 142.4 | 169.3 | -57 | -51.5 | 0 | 0 | 0 | 110.3 | | |
| 325 | P | 33 | Very low | 31.5 | Very low | 124 Ų | 124 | 156.5 Ų | 156.5 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | | | trans | -105.7 | 96.2 | 169.1 | 35.2 | -26.5 | 0 | 0 | 0 | 111.6 | | |
| 326 | I | 36.3 | Very low | 31.6 | Very low | 145 Ų | 145 | 151.7 Ų | 151.7 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | | | trans | -137.4 | 145.5 | 167.2 | -48.6 | -178.5 | 0 | 0 | 0 | 109.3 | | |
| 327 | T | 38.4 | Very low | 31.6 | Very low | 135 Ų | 135 | 151 Ų | 151 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | | | trans | 72.3 | 114.4 | -179 | 65.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 328 | H | 30.9 | Very low | 31.6 | Very low | 183 Ų | 183 | 149.2 Ų | 149.2 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | | | trans | -66.3 | 141.3 | 150.6 | -67.4 | -123.4 | 0 | 0 | 0 | 108.9 | | |
| 329 | Q | 35.3 | Very low | 31.8 | Very low | 195 Ų | 195 | 148.5 Ų | 148.5 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | | | | -157.1 | 145.4 | 113.9 | -76.8 | -140.6 | 7.3 | 0 | 0 | 109.1 | | |
| 330 | Q | 28.9 | Very low | 31.8 | Very low | 193 Ų | 193 | 148.6 Ų | 148.6 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | -83.4 | 129.3 | 179.5 | -68 | 167.5 | -47.7 | 0 | 0 | 110.7 | | |
| 331 | K | 32.8 | Very low | 31.9 | Very low | 192 Ų | 192 | 146.4 Ų | 146.4 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | | | trans | -150.1 | 103.7 | 155.9 | -152.3 | 166.9 | -171.9 | 175.5 | 0 | 111.3 | I333 | K331-I333 PolarHBondContact O-N 3.01Š|
| 332 | N | 29.9 | Very low | 32 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | | | trans | -73.3 | 122.5 | 178.5 | -64.7 | -20.8 | 0 | 0 | 0 | 110.5 | | |
| 333 | I | 33.4 | Very low | 32.4 | Very low | 161 Ų | 161 | 150 Ų | 150 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | | | trans | -138.2 | 138 | 156.8 | -50.6 | 179.7 | 0 | 0 | 0 | 106 | K331 | K331-I333 PolarHBondContact O-N 3.01Š|
| 334 | S | 31.1 | Very low | 32.3 | Very low | 101 Ų | 101 | 150.6 Ų | 150.6 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | | | trans | -122.4 | 147.3 | -171 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 335 | S | 31 | Very low | 32.4 | Very low | 104 Ų | 104 | 151.3 Ų | 151.3 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | 60.7 | 145.4 | 161.5 | -56.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 336 | D | 31.2 | Very low | 32.3 | Very low | 122 Ų | 122 | 151.3 Ų | 151.3 | 65% | 0.652 | 80% | 0.799 | S | S | * | * | | | cis | -175.2 | 162.7 | 32.4 | -138.8 | 18.9 | 0 | 0 | 0 | 110.2 | | |
| 337 | Q | 31.3 | Very low | 32.2 | Very low | 168 Ų | 168 | 149.1 Ų | 149.1 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | 63.5 | 154.4 | 158.7 | -64.6 | 165.5 | 55.9 | 0 | 0 | 118 | | |
| 338 | S | 31.2 | Very low | 32.1 | Very low | 92 Ų | 92 | 148.1 Ų | 148.1 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | | | cis | -154.2 | 157.6 | -15.6 | 48.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 339 | P | 30.6 | Very low | 32.2 | Very low | 129 Ų | 129 | 147.3 Ų | 147.3 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | trans | -90.7 | 131.3 | -178.3 | 34.1 | -31.9 | 0 | 0 | 0 | 112.7 | | |
| 340 | I | 32.3 | Very low | 32.3 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | -133.3 | 150.2 | 169.7 | -64 | -174.8 | 0 | 0 | 0 | 110.3 | | |
| 341 | E | 30.8 | Very low | 32.6 | Very low | 182 Ų | 182 | 138 Ų | 138 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | | | trans | -66.3 | 171.8 | -158.8 | -64 | 158.6 | 128.5 | 0 | 0 | 117.8 | | |
| 342 | L | 31.9 | Very low | 32.8 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | trans | -41.1 | 148.7 | 163.6 | -62.5 | 152 | 0 | 0 | 0 | 113.8 | | |
| 343 | N | 34.9 | Very low | 33 | Very low | 168 Ų | 168 | 137 Ų | 137 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | | | | -153.1 | 148.3 | 125.1 | -93.9 | -49.8 | 0 | 0 | 0 | 110 | | |
| 344 | D | 30.7 | Very low | 32.9 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | | | trans | -88.5 | -162.4 | 178.1 | -77.6 | -68.6 | 0 | 0 | 0 | 111.5 | | |
| 345 | E | 34 | Very low | 32.8 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | trans | 107.8 | 77.1 | 152.4 | -55.5 | -153.6 | 156 | 0 | 0 | 121.1 | | |
| 346 | T | 31.2 | Very low | 32.8 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | | 75.5 | -178.8 | 125.9 | 79.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 347 | S | 33.6 | Very low | 32.8 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | | | trans | 84.1 | 125.9 | 160.7 | -73.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 348 | T | 37.8 | Very low | 32.6 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | cis | -162.1 | 163.3 | -10.7 | -5.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 349 | I | 33.1 | Very low | 32.6 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | | | trans | 68.5 | 131.5 | 151.2 | -69.6 | 159.1 | 0 | 0 | 0 | 117.9 | | |
| 350 | G | 36.8 | Very low | 32.6 | Very low | 59 Ų | 59 | 140.1 Ų | 140.1 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | | | cis | -177.6 | 157.3 | -6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 351 | D | 35.5 | Very low | 32.5 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | | | trans | 33.5 | 118.3 | 149 | -47.7 | -18.7 | 0 | 0 | 0 | 120.5 | | |
| 352 | F | 37.3 | Very low | 32.5 | Very low | 206 Ų | 206 | 134 Ų | 134 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | | | | -163 | 95.1 | 101 | -100.5 | -66.6 | 0 | 0 | 0 | 112.4 | | |
| 353 | N | 33.1 | Very low | 32.6 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 68% | 0.684 | 78% | 0.775 | S | S | * | * | | | trans | 23.6 | 134.8 | 147.6 | -71.1 | -1.3 | 0 | 0 | 0 | 124 | | |
| 354 | E | 30.5 | Very low | 32.7 | Very low | 170 Ų | 170 | 129.9 Ų | 129.9 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | | | trans | 90.6 | 121.4 | 135.3 | -76.9 | -172.6 | 134.4 | 0 | 0 | 123.2 | | |
| 355 | V | 30.5 | Very low | 32.9 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | | | trans | 70.2 | 83.2 | 133 | -178.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 356 | T | 30.9 | Very low | 32.9 | Very low | 112 Ų | 112 | 129 Ų | 129 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | | | | 168.6 | 119.1 | 102.8 | -68 | 0 | 0 | 0 | 0 | 113 | | |
| 357 | I | 30.1 | Very low | 33 | Very low | 162 Ų | 162 | 134.5 Ų | 134.5 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | | | trans | 21.1 | 110.5 | 147 | -48.7 | 174.4 | 0 | 0 | 0 | 118 | | |
| 358 | G | 27.7 | Very low | 33.2 | Very low | 70 Ų | 70 | 136.2 Ų | 136.2 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | | | trans | 87.3 | 67.6 | 138.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 359 | N | 31.4 | Very low | 33 | Very low | 162 Ų | 162 | 138 Ų | 138 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | | | trans | -129.5 | 139.5 | 158.8 | -85.6 | -63.7 | 0 | 0 | 0 | 111.1 | S361 | N359-S361 PolarHBondContact O-N 3.4Š|
| 360 | V | 30.4 | Very low | 33.2 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 116.4 | 179.8 | 178.3 | 0 | 0 | 0 | 0 | 109 | | |
| 361 | S | 29.8 | Very low | 33.6 | Very low | 114 Ų | 114 | 149.4 Ų | 149.4 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 131.3 | -177.4 | -168.5 | 0 | 0 | 0 | 0 | 111.9 | N359 | N359-S361 PolarHBondContact O-N 3.4Š|
| 362 | A | 30.9 | Very low | 34 | Very low | 93 Ų | 93 | 146.4 Ų | 146.4 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 122.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 363 | V | 34.6 | Very low | 34.8 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 129 | 167.1 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | E365 | V363-E365 PolarHBondContact O-N 2.78Š|
| 364 | P | 35.9 | Very low | 35.7 | Very low | 101 Ų | 101 | 143.8 Ų | 143.8 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 132.3 | -172.4 | 24.4 | -33.7 | 0 | 0 | 0 | 113.4 | N366 | P364-N366 PolarHBondContact O-N 3Š|
| 365 | E | 35.4 | Very low | 37 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 65% | 0.654 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -66.6 | 20.6 | -174.5 | -70.3 | -149.3 | 120 | 0 | 0 | 116.7 | V363 R367 K368 | V363-E365 PolarHBondContact O-N 2.78Å; E365-R367 PolarHBondContact O-N 3.43Å; E365-K368 IonicContact OE1-NZ 3.01Å; E365-K368 IonicContact OE2-NZ 3.28Å; E365-K368 PolarHBondContact OE2-NZ 2.88Å |
| 366 | N | 33.8 | Very low | 38.3 | Very low | 159 Ų | 159 | 139 Ų | 139 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 22.7 | -174.2 | -78.2 | -46.6 | 0 | 0 | 0 | 114.8 | P364 | P364-N366 PolarHBondContact O-N 3Š|
| 367 | R | 33.8 | Very low | 39.3 | Very low | 238 Ų | 238 | 141.1 Ų | 141.1 | 90% | 0.898 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 25.1 | 166.3 | -66 | -170.3 | -175.6 | 173 | 3.6 | 113.4 | E365 L369 | E365-R367 PolarHBondContact O-N 3.43Å; R367-L369 PolarHBondContact O-N 2.93Å; R367-L369 VanDerWaalsContact O-N 3.11Å |
| 368 | K | 37.8 | Very low | 40.8 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 59% | 0.587 | 73% | 0.727 | S | S | * | * | | | trans | -56.7 | 116.3 | 166.5 | -80 | 168.5 | -179.5 | 156.3 | 0 | 108.6 | E365 R370 | E365-K368 IonicContact OE1-NZ 3.01Å; E365-K368 IonicContact OE2-NZ 3.28Å; E365-K368 PolarHBondContact OE2-NZ 2.88Å; K368-R370 PolarHBondContact O-N 2.82Å |
| 369 | L | 34.4 | Very low | 42.3 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | | | trans | -59 | 108.9 | -168.4 | -74.5 | 160.6 | 0 | 0 | 0 | 111 | R367 R371 | R367-L369 PolarHBondContact O-N 2.93Å; R367-L369 VanDerWaalsContact O-N 3.11Å; L369-R371 PolarHBondContact O-N 2.86Å |
| 370 | R | 37.1 | Very low | 43.7 | Very low | 245 Ų | 245 | 134.3 Ų | 134.3 | 93% | 0.925 | 70% | 0.697 | S | S | * | * | | | trans | -66.1 | 82.2 | 162.7 | -70.7 | -173.4 | -179.7 | -175.9 | -0.7 | 108.6 | K368 A372 | K368-R370 PolarHBondContact O-N 2.82Å; R370-A372 PolarHBondContact O-N 2.98Å |
| 371 | R | 44.3 | Very low | 45.1 | Very low | 221 Ų | 221 | 129.3 Ų | 129.3 | 83% | 0.834 | 68% | 0.675 | S | S | * | * | | | trans | -67.7 | 77.8 | 164.4 | -77.4 | -176.8 | 170.6 | 169.9 | -3.2 | 107.9 | L369 L373 | L369-R371 PolarHBondContact O-N 2.86Å; R371-L373 PolarHBondContact O-N 3.34Å; R371-L373 VanDerWaalsContact O-N 3.16Å |
| 372 | A | 44.9 | Very low | 46.3 | Very low | 70 Ų | 70 | 127.7 Ų | 127.7 | 58% | 0.579 | 66% | 0.656 | S | S | * | * | | | trans | -54.7 | 120.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | R370 R374 | R370-A372 PolarHBondContact O-N 2.98Å; A372-R374 PolarHBondContact O-N 3.22Å |
| 373 | L | 53.7 | Low | 47.4 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 56% | 0.555 | 64% | 0.643 | S | S | * | * | | | trans | -73.5 | 80.2 | 178 | -75.2 | 158.8 | 0 | 0 | 0 | 108.4 | R371 M382 Y387 | R371-L373 PolarHBondContact O-N 3.34Å; R371-L373 VanDerWaalsContact O-N 3.16Å; L373-M382 PolarHBondContact O-N 2.79Å; L373-Y387 HydrophobicContact CB-CE2 4.09Å; L373-Y387 VanDerWaalsContact CB-OH 3.28Å; L373-Y387 WeakPolarHBondContact CB-OH 3.2Å; L373-Y387 HydrophobicContact CD1-CE1 4.19Å; L373-Y387 HydrophobicContact CD1-CE2 3.86Å |
| 374 | R | 52.8 | Low | 48.2 | Very low | 174 Ų | 174 | 127.4 Ų | 127.4 | 66% | 0.657 | 64% | 0.642 | S | S | * | * | B | Isolated β-bridge | trans | -68.7 | 129.8 | 172.8 | -71.1 | 177.5 | 174.6 | -119.1 | 6.9 | 108.9 | A372 G379 E380 | A372-R374 PolarHBondContact O-N 3.22Å; R374-G379 WeakPolarHBondContact CD-O 3.12Å; R374-G379 VanDerWaalsContact CG-O 3.27Å; R374-G379 WeakPolarHBondContact CG-O 3.44Å; R374-G379 PolarHBondContact NH1-O 3.42Å; R374-E380 CarbonylContact C-O 3.52Å; R374-E380 VanDerWaalsContact CA-O 3.25Å; R374-E380 WeakPolarHBondContact CA-O 3.19Å |
| 375 | N | 56.4 | Low | 49.2 | Very low | 67 Ų | 67 | 125.7 Ų | 125.7 | 36% | 0.358 | 63% | 0.632 | S | S | . | * | | | trans | -55.4 | 122.8 | 166.8 | 175.7 | -16 | 0 | 0 | 0 | 108.1 | I377 T378 G379 E380 | N375-I377 PolarHBondContact O-N 3.05Å; N375-I377 VanDerWaalsContact O-N 3.1Å; N375-I377 WeakPolarHBondContact OD1-CB 3.37Å; N375-I377 PolarHBondContact OD1-N 3.41Å; N375-T378 WeakPolarHBondContact CB-OG1 3.26Å; N375-T378 PolarHBondContact O-N 3.2Å; N375-G379 WeakPolarHBondContact O-CA 3.4Å; N375-G379 PolarHBondContact O-N 2.76Å; N375-E380 PolarHBondContact N-O 2.95Å |
| 376 | P | 58.2 | Low | 50.1 | Low | 120 Ų | 120 | 122.2 Ų | 122.2 | 78% | 0.779 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -14.4 | -176 | 26.6 | -34.8 | 0 | 0 | 0 | 113.5 | | |
| 377 | I | 51 | Low | 50.9 | Low | 156 Ų | 156 | 118.6 Ų | 118.6 | 80% | 0.8 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -44.2 | 178.8 | -55.6 | 176.4 | 0 | 0 | 0 | 111.7 | N375 | N375-I377 PolarHBondContact O-N 3.05Å; N375-I377 VanDerWaalsContact O-N 3.1Å; N375-I377 WeakPolarHBondContact OD1-CB 3.37Å; N375-I377 PolarHBondContact OD1-N 3.41Å |
| 378 | T | 63.3 | Low | 51.7 | Low | 83 Ų | 83 | 112.2 Ų | 112.2 | 51% | 0.509 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.4 | -17.6 | -175.4 | 67 | 0 | 0 | 0 | 0 | 114.2 | N375 E380 | N375-T378 WeakPolarHBondContact CB-OG1 3.26Å; N375-T378 PolarHBondContact O-N 3.2Å; T378-E380 PolarHBondContact O-N 2.92Å; T378-E380 PolarHBondContact OG1-N 2.75Å |
| 379 | G | 58.7 | Low | 52.3 | Low | 28 Ų | 28 | 110.4 Ų | 110.4 | 29% | 0.289 | 57% | 0.573 | S | S | . | * | | | trans | 73.1 | -2.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R374 N375 | R374-G379 WeakPolarHBondContact CD-O 3.12Å; R374-G379 VanDerWaalsContact CG-O 3.27Å; R374-G379 WeakPolarHBondContact CG-O 3.44Å; R374-G379 PolarHBondContact NH1-O 3.42Å; N375-G379 WeakPolarHBondContact O-CA 3.4Å; N375-G379 PolarHBondContact O-N 2.76Å |
| 380 | E | 61 | Low | 53.1 | Low | 141 Ų | 141 | 109.5 Ų | 109.5 | 66% | 0.659 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 146.5 | 174.7 | -65.1 | -177.5 | 129 | 0 | 0 | 111 | R374 N375 T378 | R374-E380 CarbonylContact C-O 3.52Å; R374-E380 VanDerWaalsContact CA-O 3.25Å; R374-E380 WeakPolarHBondContact CA-O 3.19Å; N375-E380 PolarHBondContact N-O 2.95Å; T378-E380 PolarHBondContact O-N 2.92Å; T378-E380 PolarHBondContact OG1-N 2.75Å |
| 381 | G | 58.3 | Low | 53.9 | Low | 42 Ų | 42 | 104.6 Ų | 104.6 | 43% | 0.433 | 56% | 0.559 | S | S | . | * | B | Isolated β-bridge | trans | -81.1 | 130.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 382 | M | 55.6 | Low | 54.3 | Low | 80 Ų | 80 | 101.2 Ų | 101.2 | 39% | 0.394 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 145.8 | 162.5 | -116.1 | 166.5 | 71.7 | 0 | 0 | 109.2 | L373 D386 Y387 L390 | L373-M382 PolarHBondContact O-N 2.79Å; M382-D386 HydrophobicContact CE-CB 3.69Å; M382-D386 HydrophobicContact CG-CB 4.1Å; M382-Y387 HydrophobicContact CB-CE2 3.86Å; M382-Y387 HydrophobicContact CE-CD1 4.33Å; M382-Y387 HydrophobicContact CE-CD2 4.08Å; M382-Y387 HydrophobicContact CE-CE1 4.11Å; M382-Y387 HydrophobicContact CE-CE2 3.87Å; M382-Y387 HydrophobicContact CE-CG 4.3Å; M382-L390 HydrophobicContact CE-CD1 4.43Å |
| 383 | C | 53.4 | Low | 54.6 | Low | 75 Ų | 75 | 104.5 Ų | 104.5 | 51% | 0.507 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -75.8 | 152.2 | 176.8 | -74.5 | 0 | 0 | 0 | 0 | 110.6 | S385 D386 | C383-S385 WeakPolarHBondContact CB-OG 3.46Å; C383-S385 PolarHBondContact O-N 3.27Å; C383-S385 VanDerWaalsContact O-N 3.1Å; C383-D386 WeakPolarHBondContact CB-OD2 3.22Å; C383-D386 PolarHBondContact N-OD2 3.28Å; C383-D386 WeakPolarHBondContact O-CB 3.46Å; C383-D386 PolarHBondContact O-N 3.2Å |
| 384 | D | 53 | Low | 54.1 | Low | 144 Ų | 144 | 102.7 Ų | 102.7 | 77% | 0.77 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -21.1 | 179.7 | -65.6 | -42.2 | 0 | 0 | 0 | 112.4 | | |
| 385 | S | 55.4 | Low | 53.9 | Low | 64 Ų | 64 | 99.2 Ų | 99.2 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.5 | -44.6 | 168.5 | 40 | 0 | 0 | 0 | 0 | 113 | C383 Y387 I388 | C383-S385 WeakPolarHBondContact CB-OG 3.46Å; C383-S385 PolarHBondContact O-N 3.27Å; C383-S385 VanDerWaalsContact O-N 3.1Å; S385-Y387 PolarHBondContact O-N 2.74Å; S385-I388 WeakPolarHBondContact O-CB 3.27Å; S385-I388 PolarHBondContact O-N 3.28Å |
| 386 | D | 55.2 | Low | 53.6 | Low | 67 Ų | 67 | 104 Ų | 104 | 36% | 0.358 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -75 | -20 | -164.2 | -43 | -16.8 | 0 | 0 | 0 | 110.7 | M382 C383 I388 | M382-D386 HydrophobicContact CE-CB 3.69Å; M382-D386 HydrophobicContact CG-CB 4.1Å; C383-D386 WeakPolarHBondContact CB-OD2 3.22Å; C383-D386 PolarHBondContact N-OD2 3.28Å; C383-D386 WeakPolarHBondContact O-CB 3.46Å; C383-D386 PolarHBondContact O-N 3.2Å; D386-I388 VanDerWaalsContact C-N 3.34Å |
| 387 | Y | 50.7 | Low | 52.9 | Low | 84 Ų | 84 | 105.9 Ų | 105.9 | 33% | 0.329 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -74.8 | -17.6 | 171.1 | -80.3 | -74.6 | 0 | 0 | 0 | 114.2 | L373 M382 S385 | L373-Y387 HydrophobicContact CB-CE2 4.09Å; L373-Y387 VanDerWaalsContact CB-OH 3.28Å; L373-Y387 WeakPolarHBondContact CB-OH 3.2Å; L373-Y387 HydrophobicContact CD1-CE1 4.19Å; L373-Y387 HydrophobicContact CD1-CE2 3.86Å; M382-Y387 HydrophobicContact CB-CE2 3.86Å; M382-Y387 HydrophobicContact CE-CD1 4.33Å; M382-Y387 HydrophobicContact CE-CD2 4.08Å; M382-Y387 HydrophobicContact CE-CE1 4.11Å; M382-Y387 HydrophobicContact CE-CE2 3.87Å; M382-Y387 HydrophobicContact CE-CG 4.3Å; S385-Y387 PolarHBondContact O-N 2.74Å |
| 388 | I | 51.1 | Low | 52.4 | Low | 104 Ų | 104 | 108.1 Ų | 108.1 | 53% | 0.533 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -83.1 | -36.6 | -175.4 | -59.4 | 175.2 | 0 | 0 | 0 | 110.9 | S385 D386 L390 L391 | S385-I388 WeakPolarHBondContact O-CB 3.27Å; S385-I388 PolarHBondContact O-N 3.28Å; D386-I388 VanDerWaalsContact C-N 3.34Å; I388-L390 PolarHBondContact O-N 2.9Å; I388-L391 WeakPolarHBondContact O-CB 3.23Å; I388-L391 PolarHBondContact O-N 3.09Å; I388-L391 VanDerWaalsContact O-N 3.09Å |
| 389 | D | 50.4 | Low | 51.4 | Low | 97 Ų | 97 | 112 Ų | 112 | 52% | 0.519 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.8 | -30.2 | 179.8 | -73 | -38.9 | 0 | 0 | 0 | 113 | L391 K392 | D389-L391 PolarHBondContact O-N 3.09Å; D389-L391 VanDerWaalsContact O-N 3.15Å; D389-K392 PolarHBondContact O-N 3.44Å; D389-K392 VanDerWaalsContact O-N 3.12Å; D389-K392 WeakPolarHBondContact OD1-CD 3.35Å; D389-K392 WeakPolarHBondContact OD1-CE 3.45Å; D389-K392 IonicContact OD1-NZ 2.64Å; D389-K392 PolarHBondContact OD1-NZ 2.82Å |
| 390 | L | 51.5 | Low | 50.4 | Low | 131 Ų | 131 | 122.4 Ų | 122.4 | 69% | 0.686 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -9.4 | 170.5 | -67.8 | 174.2 | 0 | 0 | 0 | 113.9 | M382 I388 | M382-L390 HydrophobicContact CE-CD1 4.43Å; I388-L390 PolarHBondContact O-N 2.9Å |
| 391 | L | 52.8 | Low | 49.2 | Very low | 142 Ų | 142 | 125.9 Ų | 125.9 | 74% | 0.743 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -3.4 | 174.8 | -70.8 | 166.5 | 0 | 0 | 0 | 113.3 | I388 D389 L393 | I388-L391 WeakPolarHBondContact O-CB 3.23Å; I388-L391 PolarHBondContact O-N 3.09Å; I388-L391 VanDerWaalsContact O-N 3.09Å; D389-L391 PolarHBondContact O-N 3.09Å; D389-L391 VanDerWaalsContact O-N 3.15Å; L391-L393 PolarHBondContact O-N 2.88Å |
| 392 | K | 53.2 | Low | 48.1 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 66% | 0.657 | 63% | 0.629 | S | S | * | * | | | trans | -79.1 | 53.8 | 171.9 | -66.9 | 176.8 | 179.2 | 165.6 | 0 | 111.9 | D389 | D389-K392 PolarHBondContact O-N 3.44Å; D389-K392 VanDerWaalsContact O-N 3.12Å; D389-K392 WeakPolarHBondContact OD1-CD 3.35Å; D389-K392 WeakPolarHBondContact OD1-CE 3.45Å; D389-K392 IonicContact OD1-NZ 2.64Å; D389-K392 PolarHBondContact OD1-NZ 2.82Å |
| 393 | L | 50.6 | Low | 47.2 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 73% | 0.728 | 65% | 0.647 | S | S | * | * | | | trans | -66.4 | 132 | 165.4 | -72.1 | 174 | 0 | 0 | 0 | 109 | L391 | L391-L393 PolarHBondContact O-N 2.88Š|
| 394 | P | 43.7 | Very low | 46.3 | Very low | 67 Ų | 67 | 139.4 Ų | 139.4 | 44% | 0.435 | 66% | 0.658 | S | S | . | * | | | trans | -56.2 | 141.3 | 175.6 | -25.3 | 34.1 | 0 | 0 | 0 | 111.7 | E396 Y397 | P394-E396 PolarHBondContact O-N 3Å; P394-Y397 HydrophobicContact CB-CD2 4.35Å; P394-Y397 HydrophobicContact CG-CD2 4.42Å; P394-Y397 PolarHBondContact O-N 2.84Å |
| 395 | S | 47.4 | Very low | 45.6 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -59.5 | -13.9 | 177.8 | 40.5 | 0 | 0 | 0 | 0 | 113.9 | Y398 | S395-Y398 WeakPolarHBondContact O-CD2 3.25Š|
| 396 | E | 50.6 | Low | 44.8 | Very low | 169 Ų | 169 | 143.2 Ų | 143.2 | 79% | 0.79 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -73.5 | -21.7 | 176.2 | -67.3 | 156.7 | -176.8 | 0 | 0 | 113.2 | P394 Y398 | P394-E396 PolarHBondContact O-N 3Å; E396-Y398 PolarHBondContact O-N 3.41Å |
| 397 | Y | 43.7 | Very low | 43.7 | Very low | 158 Ų | 158 | 144.7 Ų | 144.7 | 62% | 0.62 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -82.8 | 15.7 | -178.8 | -86.3 | -82.4 | 0 | 0 | 0 | 115 | P394 F399 | P394-Y397 HydrophobicContact CB-CD2 4.35Å; P394-Y397 HydrophobicContact CG-CD2 4.42Å; P394-Y397 PolarHBondContact O-N 2.84Å; Y397-F399 VanDerWaalsContact C-N 3.27Å; Y397-F399 HydrophobicContact CD1-CE2 4.13Å; Y397-F399 PolarHBondContact O-N 2.98Å |
| 398 | Y | 40.2 | Very low | 42.7 | Very low | 203 Ų | 203 | 145.9 Ų | 145.9 | 80% | 0.796 | 71% | 0.714 | S | S | * | * | | | trans | -73.2 | 79.4 | 166.1 | -85.3 | -87.2 | 0 | 0 | 0 | 111.3 | S395 E396 R400 | S395-Y398 WeakPolarHBondContact O-CD2 3.25Å; E396-Y398 PolarHBondContact O-N 3.41Å; Y398-R400 PolarHBondContact O-N 2.97Å |
| 399 | F | 43 | Very low | 41.9 | Very low | 164 Ų | 164 | 147.4 Ų | 147.4 | 72% | 0.719 | 73% | 0.728 | S | S | * | * | | | trans | -47.4 | 123.9 | 169.1 | -84.5 | -86.2 | 0 | 0 | 0 | 111.1 | Y397 R401 | Y397-F399 VanDerWaalsContact C-N 3.27Å; Y397-F399 HydrophobicContact CD1-CE2 4.13Å; Y397-F399 PolarHBondContact O-N 2.98Å; F399-R401 VanDerWaalsContact C-N 3.27Å; F399-R401 PolarHBondContact O-N 3.01Å |
| 400 | R | 36.8 | Very low | 41.3 | Very low | 247 Ų | 247 | 150 Ų | 150 | 93% | 0.932 | 74% | 0.741 | S | S | * | * | | | trans | -65.2 | 76.6 | -177.8 | -65.8 | -175.3 | 177.7 | -152.4 | 1.8 | 112.1 | Y398 N402 | Y398-R400 PolarHBondContact O-N 2.97Å; R400-N402 PolarHBondContact O-N 3.09Å |
| 401 | R | 37.2 | Very low | 40.5 | Very low | 215 Ų | 215 | 150.4 Ų | 150.4 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | | | trans | -79 | 94.7 | 167.2 | -90.9 | -179.2 | -85.6 | 147.3 | -5.3 | 109.5 | F399 R403 | F399-R401 VanDerWaalsContact C-N 3.27Å; F399-R401 PolarHBondContact O-N 3.01Å; R401-R403 PolarHBondContact O-N 3.35Å |
| 402 | N | 34.5 | Very low | 39.7 | Very low | 135 Ų | 135 | 150 Ų | 150 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | | | trans | 24.5 | 92.3 | 161 | -54.7 | 14.3 | 0 | 0 | 0 | 114.2 | R400 D404 | R400-N402 PolarHBondContact O-N 3.09Å; N402-D404 PolarHBondContact O-N 3.25Å |
| 403 | R | 36.1 | Very low | 38.8 | Very low | 206 Ų | 206 | 148.7 Ų | 148.7 | 78% | 0.777 | 74% | 0.737 | S | S | * | * | | | trans | -82.8 | 1.5 | 173.4 | -164.3 | 170.6 | 173.2 | 169.7 | -2.5 | 111.9 | R401 T405 | R401-R403 PolarHBondContact O-N 3.35Å; R403-T405 PolarHBondContact O-N 2.91Å |
| 404 | D | 36.1 | Very low | 38 | Very low | 140 Ų | 140 | 147.7 Ų | 147.7 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 74.5 | -164.4 | -46.2 | -72.9 | 0 | 0 | 0 | 110 | N402 | N402-D404 PolarHBondContact O-N 3.25Š|
| 405 | T | 37.9 | Very low | 37.8 | Very low | 125 Ų | 125 | 151.4 Ų | 151.4 | 77% | 0.767 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -165 | -23.5 | 169.7 | 9.1 | 0 | 0 | 0 | 0 | 114 | R403 | R403-T405 PolarHBondContact O-N 2.91Š|
| 406 | L | 38.7 | Very low | 37.4 | Very low | 163 Ų | 163 | 151.8 Ų | 151.8 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -135.9 | 42.6 | -172.4 | -66.3 | 175.3 | 0 | 0 | 0 | 113.3 | | |
| 407 | S | 31.2 | Very low | 36.8 | Very low | 97 Ų | 97 | 149.4 Ų | 149.4 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | | | trans | -144.5 | 50.7 | 177 | -71.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 408 | S | 30.7 | Very low | 36.3 | Very low | 109 Ų | 109 | 147.9 Ų | 147.9 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -128.7 | 142.4 | 157.6 | -176.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 409 | T | 34 | Very low | 36.3 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 78.8 | 38.2 | -175.2 | 76.6 | 0 | 0 | 0 | 0 | 120.1 | | |
| 410 | L | 37.9 | Very low | 36.1 | Very low | 151 Ų | 151 | 146 Ų | 146 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | -139.9 | 66.2 | 154.9 | -103 | -179.3 | 0 | 0 | 0 | 113 | I412 | L410-I412 VanDerWaalsContact C-N 3.33Å; L410-I412 HydrophobicContact CD2-CD1 4.11Å; L410-I412 HydrophobicContact CD2-CG1 3.96Å; L410-I412 PolarHBondContact O-N 3.37Å |
| 411 | N | 33.9 | Very low | 36 | Very low | 139 Ų | 139 | 140 Ų | 140 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | | | trans | -80.3 | 75.1 | 176.3 | -170.7 | -0.1 | 0 | 0 | 0 | 111.1 | H413 | N411-H413 PolarHBondContact O-N 2.63Å; N411-H413 VanDerWaalsContact O-N 3.16Å; N411-H413 PolarHBondContact OD1-ND1 3.25Å; N411-H413 VanDerWaalsContact OD1-ND1 3.16Å |
| 412 | I | 35.4 | Very low | 35.9 | Very low | 135 Ų | 135 | 136 Ų | 136 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | trans | -79 | 94 | 176.4 | -54 | -179.8 | 0 | 0 | 0 | 109.2 | L410 | L410-I412 VanDerWaalsContact C-N 3.33Å; L410-I412 HydrophobicContact CD2-CD1 4.11Å; L410-I412 HydrophobicContact CD2-CG1 3.96Å; L410-I412 PolarHBondContact O-N 3.37Å |
| 413 | H | 35.2 | Very low | 35.8 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 57% | 0.569 | 77% | 0.772 | S | S | * | * | | | trans | -68.2 | 128.6 | 167.4 | -98.4 | 49.7 | 0 | 0 | 0 | 110.8 | N411 H415 | N411-H413 PolarHBondContact O-N 2.63Å; N411-H413 VanDerWaalsContact O-N 3.16Å; N411-H413 PolarHBondContact OD1-ND1 3.25Å; N411-H413 VanDerWaalsContact OD1-ND1 3.16Å; H413-H415 AromaticContact CD2-NE2 3.73Å; H413-H415 PolarHBondContact O-N 3.23Å; H413-H415 VanDerWaalsContact O-N 3.12Å |
| 414 | P | 34.2 | Very low | 35.7 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | trans | -83.3 | 87.8 | -179.4 | 32.9 | -33.9 | 0 | 0 | 0 | 111.1 | | |
| 415 | H | 39.7 | Very low | 35.7 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | | | trans | -123.4 | 104.5 | 178.2 | -71.5 | -21.4 | 0 | 0 | 0 | 113.1 | H413 | H413-H415 AromaticContact CD2-NE2 3.73Å; H413-H415 PolarHBondContact O-N 3.23Å; H413-H415 VanDerWaalsContact O-N 3.12Å |
| 416 | S | 37.7 | Very low | 35.6 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | trans | 56.3 | 136.3 | 139.7 | -52.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 417 | P | 37.9 | Very low | 35.6 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | trans | -71.7 | 157.7 | 179.4 | 31.4 | -36 | 0 | 0 | 0 | 113.2 | | |
| 418 | P | 34 | Very low | 35.9 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | -86 | 147.7 | -166 | 33.7 | -36.7 | 0 | 0 | 0 | 114.6 | | |
| 419 | V | 40.4 | Very low | 36.1 | Very low | 146 Ų | 146 | 128.8 Ų | 128.8 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | | | trans | -129.7 | 152.3 | 163.9 | -178 | 0 | 0 | 0 | 0 | 109.2 | | |
| 420 | Q | 39.5 | Very low | 36.2 | Very low | 182 Ų | 182 | 129.1 Ų | 129.1 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | | | trans | -65.1 | 159.5 | -156.2 | -70.2 | 175.5 | -76.1 | 0 | 0 | 117.3 | | |
| 421 | P | 32.9 | Very low | 36.2 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | | | trans | -84.4 | 162.1 | 178.4 | 36.1 | -37.5 | 0 | 0 | 0 | 113.7 | | |
| 422 | S | 35.9 | Very low | 36.3 | Very low | 129 Ų | 129 | 126.1 Ų | 126.1 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | | | trans | -140 | 142.8 | 157.6 | -81.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 423 | S | 32.8 | Very low | 36.6 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | -87.6 | 168.4 | -172.1 | 53 | 0 | 0 | 0 | 0 | 114 | | |
| 424 | T | 34.9 | Very low | 36.8 | Very low | 119 Ų | 119 | 125 Ų | 125 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | | | | 168.6 | 111 | 125.9 | -72.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 425 | T | 35.6 | Very low | 37.1 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | | | | 46.1 | 129.9 | 121.6 | -40.9 | 0 | 0 | 0 | 0 | 119 | | |
| 426 | T | 35.5 | Very low | 37.2 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | | | cis | -167.1 | 163.6 | 2.2 | 21.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 427 | P | 39.4 | Very low | 37.2 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | | | trans | -95.8 | 170.7 | 168.9 | 39.1 | -34.5 | 0 | 0 | 0 | 113.9 | | |
| 428 | S | 36.2 | Very low | 37.2 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | trans | -153.6 | 157.2 | 161.9 | -167.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 429 | T | 34.5 | Very low | 37.8 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | | | trans | -125.7 | 163.2 | -172.4 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 430 | N | 36.7 | Very low | 37.7 | Very low | 144 Ų | 144 | 127.2 Ų | 127.2 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | trans | 143.8 | 134.3 | 133.7 | -71 | -20.2 | 0 | 0 | 0 | 113.4 | | |
| 431 | T | 38.1 | Very low | 37.7 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | | | | 173.8 | 148.9 | 110.9 | -68 | 0 | 0 | 0 | 0 | 109.5 | | |
| 432 | A | 36.3 | Very low | 37.9 | Very low | 86 Ų | 86 | 128.3 Ų | 128.3 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | trans | -110.4 | -171 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 433 | V | 40.2 | Very low | 38.2 | Very low | 126 Ų | 126 | 128 Ų | 128 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | | | | 161.7 | 129.4 | 124.8 | 158.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 434 | S | 40.1 | Very low | 38.3 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | | | trans | 67.4 | 157.6 | 153.4 | -73.8 | 0 | 0 | 0 | 0 | 123.5 | | |
| 435 | V | 40.3 | Very low | 38.2 | Very low | 115 Ų | 115 | 128 Ų | 128 | 70% | 0.697 | 75% | 0.75 | S | S | * | * | | | cis | 174.6 | 163.7 | -37.7 | 131.2 | 0 | 0 | 0 | 0 | 111 | | |
| 436 | K | 42.1 | Very low | 38.2 | Very low | 194 Ų | 194 | 127.7 Ų | 127.7 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | | | trans | 79.3 | 147.2 | 168.8 | -81.2 | 156.1 | -172 | 172.2 | 0 | 117.1 | | |
| 437 | K | 38.2 | Very low | 38.1 | Very low | 178 Ų | 178 | 127.6 Ų | 127.6 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | | | cis | -169.1 | 107.4 | -7.6 | 178.8 | -171.5 | 177.9 | -166.6 | 0 | 114.8 | | |
| 438 | V | 36.7 | Very low | 38.1 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | | | | 45.8 | 138.2 | 106.9 | 157.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 439 | P | 47.1 | Very low | 37.8 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 74% | 0.74 | 76% | 0.755 | S | S | * | * | | | | -147.3 | -139 | -50.3 | 45.9 | -22.8 | 0 | 0 | 0 | 112.8 | | |
| 440 | A | 38 | Very low | 38.1 | Very low | 84 Ų | 84 | 130.6 Ų | 130.6 | 69% | 0.694 | 75% | 0.754 | S | S | * | * | | | trans | 82.2 | 149.8 | 162 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 441 | Q | 39.9 | Very low | 37.9 | Very low | 172 Ų | 172 | 129.7 Ų | 129.7 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | cis | -168 | 170.3 | -9 | -115.6 | -178.8 | 34.2 | 0 | 0 | 107.3 | | |
| 442 | K | 38.5 | Very low | 37.6 | Very low | 154 Ų | 154 | 127.5 Ų | 127.5 | 67% | 0.67 | 75% | 0.75 | S | S | * | * | | | cis | -157.9 | -166.4 | -5.1 | -141.9 | 173.5 | 174.8 | -80.1 | 0 | 105.3 | | |
| 443 | D | 40.4 | Very low | 37.6 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 66% | 0.658 | 76% | 0.758 | S | S | * | * | | | cis | -158.7 | -173.8 | 2 | -146 | -15.2 | 0 | 0 | 0 | 112.9 | | |
| 444 | A | 35.8 | Very low | 37.4 | Very low | 78 Ų | 78 | 133 Ų | 133 | 65% | 0.645 | 76% | 0.763 | S | S | * | * | | | trans | -82.3 | 159.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 445 | N | 31.8 | Very low | 37.4 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | | | cis | 100.8 | 112.2 | 23.5 | -176.7 | 31.4 | 0 | 0 | 0 | 115.6 | | |
| 446 | S | 36.6 | Very low | 36.9 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | 172 | 174.6 | 155.6 | 46.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 447 | T | 32.8 | Very low | 36.6 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | | -179.6 | 123.3 | -51.9 | -80.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 448 | S | 39.2 | Very low | 36.6 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | | | trans | -177.3 | 165.5 | 153.7 | 37.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 449 | K | 31.5 | Very low | 36.4 | Very low | 196 Ų | 196 | 137 Ų | 137 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | | | trans | -167.8 | 178.9 | -172.2 | -114.4 | -166.7 | 174.1 | 177.9 | 0 | 106.8 | | |
| 450 | P | 39.8 | Very low | 36.3 | Very low | 98 Ų | 98 | 137 Ų | 137 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | | | cis | -135.9 | -150.1 | -36.7 | 37.2 | -16.4 | 0 | 0 | 0 | 112.1 | | |
| 451 | T | 32.5 | Very low | 36.5 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | | | trans | 86.9 | 102.1 | 146.2 | 31.5 | 0 | 0 | 0 | 0 | 123.7 | | |
| 452 | A | 31.4 | Very low | 36.4 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | | 70.4 | 126.1 | 112.9 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 453 | S | 36.1 | Very low | 37 | Very low | 128 Ų | 128 | 135 Ų | 135 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | | | | -165.3 | 167 | 128.2 | 49.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 454 | K | 36.9 | Very low | 36.9 | Very low | 199 Ų | 199 | 134.7 Ų | 134.7 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | | | trans | -136.5 | 152.6 | 177.2 | -102.6 | -169.8 | 178.2 | -176.4 | 0 | 109.5 | | |
| 455 | P | 38.9 | Very low | 36.8 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | | | trans | -116.5 | -164.1 | 143.8 | 18 | 1.2 | 0 | 0 | 0 | 112.4 | | |
| 456 | R | 31.2 | Very low | 37.4 | Very low | 212 Ų | 212 | 138.4 Ų | 138.4 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | | | trans | -150.6 | 174.4 | -153.4 | -171.9 | -178 | -176 | -161.1 | 5 | 110.5 | | |
| 457 | H | 34.8 | Very low | 37.1 | Very low | 148 Ų | 148 | 138.9 Ų | 138.9 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | | | trans | 80.4 | 152.1 | 175.9 | -47.9 | -81.7 | 0 | 0 | 0 | 113.4 | | |
| 458 | Q | 38.3 | Very low | 37.2 | Very low | 180 Ų | 180 | 139.9 Ų | 139.9 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | | | cis | -147.9 | 164.6 | 8.3 | -145.3 | 165 | 62.4 | 0 | 0 | 110.6 | | |
| 459 | T | 32.1 | Very low | 36.7 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | | | trans | -120.4 | 133.6 | -174.7 | -41.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 460 | P | 46.7 | Very low | 36.9 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -86 | 162.5 | 173.1 | 34.4 | -34.3 | 0 | 0 | 0 | 113.6 | | |
| 461 | P | 42.4 | Very low | 36.5 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 165.9 | -173 | 37 | -37 | 0 | 0 | 0 | 114.8 | | |
| 462 | P | 37.3 | Very low | 36.8 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 143.5 | 177 | 34.4 | -34.4 | 0 | 0 | 0 | 113.6 | | |
| 463 | P | 49.5 | Very low | 37.2 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 158 | 169.3 | 34.7 | -33.3 | 0 | 0 | 0 | 113.3 | | |
| 464 | S | 39.5 | Very low | 37 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 161 | -167.5 | -52.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 465 | Q | 33.3 | Very low | 37.1 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 144.7 | 165.9 | -67.3 | 179.2 | -25.8 | 0 | 0 | 112.5 | | |
| 466 | P | 44.1 | Very low | 36.8 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 154 | 149.5 | 35.6 | -28.8 | 0 | 0 | 0 | 111.6 | | |
| 467 | T | 30.4 | Very low | 37.5 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | | | trans | -117.5 | 166 | -169.5 | -27.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 468 | L | 34.4 | Very low | 37.7 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | | | trans | 84 | 124.7 | 155.2 | -66.8 | 163.9 | 0 | 0 | 0 | 120.8 | | |
| 469 | T | 29.5 | Very low | 37.6 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | | | trans | 62.1 | 134 | 140.9 | 59.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 470 | Q | 36.5 | Very low | 37.7 | Very low | 193 Ų | 193 | 143.2 Ų | 143.2 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | cis | -147.9 | 177.1 | 47 | -73.5 | 177.9 | 49.4 | 0 | 0 | 113.6 | | |
| 471 | Q | 30.4 | Very low | 37.2 | Very low | 182 Ų | 182 | 146.8 Ų | 146.8 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | | | trans | -134.1 | 126.5 | -176.2 | 179.1 | -175.9 | 10.1 | 0 | 0 | 111.7 | | |
| 472 | P | 39.7 | Very low | 37.1 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 166.4 | 167.4 | 34.2 | -29.9 | 0 | 0 | 0 | 112.8 | | |
| 473 | P | 39.1 | Very low | 36.9 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 165.8 | -142.7 | -8.9 | 28.2 | 0 | 0 | 0 | 117.7 | | |
| 474 | K | 33 | Very low | 36.4 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 133.1 | 171.6 | -165.6 | -171 | -170.9 | -163.4 | 0 | 110.7 | E476 | K474-E476 HydrophobicContact CD-CG 4.4Å; K474-E476 VanDerWaalsContact CE-OE1 3.26Å; K474-E476 WeakPolarHBondContact CE-OE1 3.26Å; K474-E476 IonicContact NZ-OE1 2.79Å; K474-E476 PolarHBondContact NZ-OE1 3.32Å |
| 475 | L | 38.3 | Very low | 36.5 | Very low | 169 Ų | 169 | 148.6 Ų | 148.6 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | | | trans | -111.3 | 136.7 | 167.3 | -77 | 167.6 | 0 | 0 | 0 | 109.5 | | |
| 476 | E | 33.1 | Very low | 36.6 | Very low | 137 Ų | 137 | 146 Ų | 146 | 64% | 0.64 | 79% | 0.792 | S | S | * | * | | | trans | -125.7 | 120.2 | 176.9 | -70.1 | -176.8 | 179.1 | 0 | 0 | 110.6 | K474 | K474-E476 HydrophobicContact CD-CG 4.4Å; K474-E476 VanDerWaalsContact CE-OE1 3.26Å; K474-E476 WeakPolarHBondContact CE-OE1 3.26Å; K474-E476 IonicContact NZ-OE1 2.79Å; K474-E476 PolarHBondContact NZ-OE1 3.32Å |
| 477 | P | 45.9 | Very low | 36.5 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | trans | -83.3 | 139.1 | 157.9 | 32.5 | -28.9 | 0 | 0 | 0 | 110.3 | | |
| 478 | K | 38.3 | Very low | 36.9 | Very low | 189 Ų | 189 | 149.5 Ų | 149.5 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | -90.7 | 178 | 169.9 | -64.1 | 173.9 | 179.6 | 173.5 | 0 | 109.9 | | |
| 479 | V | 36.5 | Very low | 37.5 | Very low | 127 Ų | 127 | 151.7 Ų | 151.7 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | trans | 77.6 | 131.3 | 166.3 | -173.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 480 | E | 34.6 | Very low | 38.4 | Very low | 188 Ų | 188 | 154.4 Ų | 154.4 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | | | cis | -139.6 | 170.8 | 1.2 | -145.6 | 155.2 | -162 | 0 | 0 | 112 | | |
| 481 | K | 35.8 | Very low | 38.6 | Very low | 189 Ų | 189 | 151.4 Ų | 151.4 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | -123.6 | 90.4 | -176.8 | -172.3 | 178.5 | -178.7 | 177.7 | 0 | 111.9 | | |
| 482 | S | 39.3 | Very low | 39.2 | Very low | 117 Ų | 117 | 150 Ų | 150 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -85.8 | 135.2 | 170.7 | 53.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 483 | T | 34.4 | Very low | 39.2 | Very low | 110 Ų | 110 | 155.1 Ų | 155.1 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | | | trans | -116 | 115.6 | -176.4 | -54.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 484 | P | 39 | Very low | 39.6 | Very low | 121 Ų | 121 | 154.8 Ų | 154.8 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 132 | 167.6 | -17.6 | 31.7 | 0 | 0 | 0 | 110.4 | | |
| 485 | Q | 39.9 | Very low | 40.4 | Very low | 174 Ų | 174 | 156.6 Ų | 156.6 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 151.3 | 178.2 | -68.8 | -174 | -2 | 0 | 0 | 111.9 | I487 | Q485-I487 PolarHBondContact O-N 2.79Š|
| 486 | P | 37.2 | Very low | 40.5 | Very low | 126 Ų | 126 | 157.9 Ų | 157.9 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 126.9 | 173.5 | 29.1 | -34.2 | 0 | 0 | 0 | 110.9 | E488 | P486-E488 PolarHBondContact O-N 3.21Š|
| 487 | I | 40.7 | Very low | 41.1 | Very low | 157 Ų | 157 | 156.8 Ų | 156.8 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | | | trans | -80.4 | 113.9 | 175.3 | -60.6 | 175.2 | 0 | 0 | 0 | 109.2 | Q485 K489 | Q485-I487 PolarHBondContact O-N 2.79Å; I487-K489 PolarHBondContact O-N 3.43Å |
| 488 | E | 39.8 | Very low | 40.7 | Very low | 163 Ų | 163 | 159.9 Ų | 159.9 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | | | trans | -65.6 | 95.3 | 176.5 | -68 | -167.5 | 156.6 | 0 | 0 | 112.4 | P486 K490 | P486-E488 PolarHBondContact O-N 3.21Å; E488-K490 PolarHBondContact O-N 3.33Å |
| 489 | K | 46.6 | Very low | 40.6 | Very low | 191 Ų | 191 | 159.3 Ų | 159.3 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | | | trans | -73 | 89.4 | 165.5 | -73.6 | -171.7 | 176.5 | -178.7 | 0 | 110.1 | I487 V491 | I487-K489 PolarHBondContact O-N 3.43Å; K489-V491 PolarHBondContact O-N 3.43Å; K489-V491 VanDerWaalsContact O-N 3.07Å |
| 490 | K | 47.6 | Very low | 40.6 | Very low | 175 Ų | 175 | 161.4 Ų | 161.4 | 76% | 0.761 | 82% | 0.815 | S | S | * | * | | | trans | -56.6 | 109.3 | 174.1 | -78.7 | 178.6 | 177.9 | 172.1 | 0 | 111.3 | E488 I492 | E488-K490 PolarHBondContact O-N 3.33Å; K490-I492 PolarHBondContact O-N 3.25Å; K490-I492 VanDerWaalsContact O-N 3.15Å |
| 491 | V | 40.5 | Very low | 40.4 | Very low | 130 Ų | 130 | 159.1 Ų | 159.1 | 79% | 0.788 | 81% | 0.814 | S | S | * | * | | | trans | -74.7 | 100.9 | 174.2 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | K489 R493 | K489-V491 PolarHBondContact O-N 3.43Å; K489-V491 VanDerWaalsContact O-N 3.07Å; V491-R493 PolarHBondContact O-N 3.48Å |
| 492 | I | 43.9 | Very low | 40.4 | Very low | 154 Ų | 154 | 157.7 Ų | 157.7 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | | | trans | -79.6 | 109.1 | 171.3 | -59.9 | 177.2 | 0 | 0 | 0 | 108.3 | K490 | K490-I492 PolarHBondContact O-N 3.25Å; K490-I492 VanDerWaalsContact O-N 3.15Å |
| 493 | R | 40.5 | Very low | 40.4 | Very low | 218 Ų | 218 | 160.2 Ų | 160.2 | 82% | 0.823 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 130.6 | 167.6 | -71.8 | -176.4 | 175.4 | 179.9 | -0.9 | 109.6 | V491 | V491-R493 PolarHBondContact O-N 3.48Š|
| 494 | P | 46.3 | Very low | 40.4 | Very low | 121 Ų | 121 | 163.4 Ų | 163.4 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 139.4 | 170.6 | 27.2 | -33.3 | 0 | 0 | 0 | 110.4 | | |
| 495 | K | 51.1 | Low | 40.5 | Very low | 203 Ų | 203 | 162.4 Ų | 162.4 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72 | 139.2 | 172.9 | -78.5 | -177 | 174.9 | -179.6 | 0 | 110.1 | | |
| 496 | K | 39 | Very low | 40.4 | Very low | 196 Ų | 196 | 161.1 Ų | 161.1 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 125.6 | 167.9 | -172 | 179.8 | -177.2 | -176.3 | 0 | 108.7 | | |
| 497 | P | 46.9 | Very low | 40.4 | Very low | 115 Ų | 115 | 164 Ų | 164 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 138.9 | 174 | 29 | -33.2 | 0 | 0 | 0 | 110.5 | | |
| 498 | E | 37.6 | Very low | 40.1 | Very low | 193 Ų | 193 | 165.1 Ų | 165.1 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 117.6 | 175.5 | -174.9 | 167 | -128.5 | 0 | 0 | 107.5 | | |
| 499 | M | 36.3 | Very low | 39.8 | Very low | 178 Ų | 178 | 163.8 Ų | 163.8 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 131.6 | -179.5 | -87 | -164.6 | 68.6 | 0 | 0 | 111.6 | | |
| 500 | L | 36.7 | Very low | 39.6 | Very low | 171 Ų | 171 | 163.2 Ų | 163.2 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 158.5 | -177 | -76.9 | 156.7 | 0 | 0 | 0 | 113.4 | | |
| 501 | T | 30.4 | Very low | 39.4 | Very low | 139 Ų | 139 | 163.5 Ų | 163.5 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 121.8 | -178.6 | -59.2 | 0 | 0 | 0 | 0 | 112 | | |
| 502 | E | 34.7 | Very low | 39.4 | Very low | 160 Ų | 160 | 162.5 Ų | 162.5 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | | | trans | -157.1 | 140.9 | 169.7 | -95 | -153.2 | 140.3 | 0 | 0 | 107.3 | | |
| 503 | K | 38.6 | Very low | 39.2 | Very low | 169 Ų | 169 | 162 Ų | 162 | 74% | 0.735 | 81% | 0.812 | S | S | * | * | | | cis | -140.7 | 160.5 | 4 | -59.9 | -169.4 | 167 | 176.5 | 0 | 112.9 | | |
| 504 | Q | 35 | Very low | 39.1 | Very low | 178 Ų | 178 | 155.1 Ų | 155.1 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | | | trans | -77.5 | -171.7 | 158 | -99.6 | -169.9 | 5.5 | 0 | 0 | 111.5 | | |
| 505 | P | 40.6 | Very low | 38.7 | Very low | 99 Ų | 99 | 154.6 Ų | 154.6 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | | | cis | -137.9 | 173.6 | -39.9 | 37.2 | -21.4 | 0 | 0 | 0 | 113.4 | | |
| 506 | V | 38.2 | Very low | 38.2 | Very low | 148 Ų | 148 | 150.9 Ų | 150.9 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | | | trans | -138.7 | 149.7 | 151.9 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 507 | K | 37 | Very low | 38.1 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | -113.4 | 151.7 | 179.9 | -54.4 | 170.1 | -178.5 | 173.3 | 0 | 110.9 | | |
| 508 | E | 35.2 | Very low | 37.8 | Very low | 180 Ų | 180 | 149.8 Ų | 149.8 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | | | trans | -150.8 | 169 | 131.8 | -129.7 | -166.9 | 131.9 | 0 | 0 | 112.5 | | |
| 509 | N | 33.3 | Very low | 37.9 | Very low | 134 Ų | 134 | 146.3 Ų | 146.3 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | | | trans | -119.4 | 150.1 | -165.1 | -74.5 | -58.6 | 0 | 0 | 0 | 113.6 | | |
| 510 | K | 42.7 | Very low | 38.3 | Very low | 179 Ų | 179 | 147 Ų | 147 | 78% | 0.778 | 80% | 0.796 | S | S | * | * | | | trans | 160 | 141.8 | 138.8 | -85.7 | 146.5 | -167.4 | 161.2 | 0 | 109.2 | | |
| 511 | Q | 42.1 | Very low | 38.4 | Very low | 182 Ų | 182 | 143.9 Ų | 143.9 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | | | cis | -158.1 | 168.9 | -23.9 | -118.3 | -172.9 | -82.8 | 0 | 0 | 106.7 | | |
| 512 | P | 41.4 | Very low | 38.8 | Very low | 109 Ų | 109 | 145 Ų | 145 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | | | trans | -106.3 | -179 | -159.5 | 41.6 | -38.7 | 0 | 0 | 0 | 115.2 | | |
| 513 | V | 39.3 | Very low | 38.7 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | | | | -174.4 | 132.3 | 124.4 | 143.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 514 | G | 38 | Very low | 38.5 | Very low | 73 Ų | 73 | 142.5 Ų | 142.5 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | | | trans | 73.6 | 140.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 515 | S | 39.4 | Very low | 38.4 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | cis | -166.1 | 133.9 | -13.6 | 49.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 516 | V | 39.3 | Very low | 38.1 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | | | trans | 37.2 | 118.6 | 143.6 | -162.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 517 | T | 37.5 | Very low | 37.9 | Very low | 117 Ų | 117 | 145 Ų | 145 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | | | | -163.5 | 129.9 | 66.5 | -36.3 | 0 | 0 | 0 | 0 | 107.4 | | |
| 518 | Q | 39.9 | Very low | 37.7 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | | 41.4 | 132.1 | 88.5 | -78.4 | 176.8 | -16.6 | 0 | 0 | 114.3 | | |
| 519 | S | 39.4 | Very low | 37.5 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | cis | -140.1 | -179.5 | 24.7 | -67.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 520 | Q | 45 | Very low | 37.6 | Very low | 194 Ų | 194 | 140.3 Ų | 140.3 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | | | trans | -111.6 | 176.1 | -170.3 | -104 | -153.3 | -0.7 | 0 | 0 | 114.7 | | |
| 521 | P | 39.9 | Very low | 36.8 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | | | trans | -103.2 | 179.3 | -155.4 | 41.6 | -39.4 | 0 | 0 | 0 | 116.6 | | |
| 522 | I | 38.4 | Very low | 36.4 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | | | trans | -137.8 | 116.9 | 165.6 | -49.5 | 175.9 | 0 | 0 | 0 | 104.2 | | |
| 523 | T | 32.4 | Very low | 36 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 63% | 0.632 | 79% | 0.794 | S | S | * | * | | | cis | 89.6 | 121.4 | 49.8 | -58.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 524 | E | 35.2 | Very low | 35.9 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | 59.7 | 130.6 | 168 | -70.4 | 159.9 | -163.2 | 0 | 0 | 117.6 | | |
| 525 | T | 31.4 | Very low | 35.7 | Very low | 135 Ų | 135 | 145 Ų | 145 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | | | | -162.1 | 153.7 | 65.7 | -64.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 526 | Q | 35 | Very low | 35.1 | Very low | 180 Ų | 180 | 145.4 Ų | 145.4 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | | | trans | -90.6 | 160.1 | 175.2 | -65.5 | -173 | 65.4 | 0 | 0 | 113.4 | | |
| 527 | L | 34.6 | Very low | 35.1 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | 145.3 | 114.5 | 151.3 | -79.2 | 161 | 0 | 0 | 0 | 107.4 | | |
| 528 | S | 32.1 | Very low | 35.1 | Very low | 94 Ų | 94 | 149.1 Ų | 149.1 | 66% | 0.657 | 80% | 0.803 | S | S | * | * | | | | 62.1 | 98.7 | 64.5 | -168 | 0 | 0 | 0 | 0 | 113.9 | | |
| 529 | T | 31.2 | Very low | 34.8 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | | -176.3 | 150.2 | 114.5 | 22.7 | 0 | 0 | 0 | 0 | 114 | | |
| 530 | K | 35.5 | Very low | 34.5 | Very low | 186 Ų | 186 | 149.4 Ų | 149.4 | 81% | 0.809 | 80% | 0.801 | S | S | * | * | | | trans | 52 | 94.6 | 146.1 | -66.1 | 180 | 178.2 | -178.1 | 0 | 119.8 | | |
| 531 | E | 26.7 | Very low | 33.9 | Very low | 200 Ų | 200 | 144.6 Ų | 144.6 | 94% | 0.935 | 79% | 0.794 | S | S | * | * | | | | -8.6 | 127.4 | 118.7 | -176.7 | 172.4 | -135.8 | 0 | 0 | 115.9 | | |
| 532 | A | 31.9 | Very low | 33.5 | Very low | 97 Ų | 97 | 146.7 Ų | 146.7 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | | | trans | -148.7 | 132 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 533 | E | 34.3 | Very low | 33.2 | Very low | 180 Ų | 180 | 144.4 Ų | 144.4 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -91 | 132.7 | -172.3 | -175.9 | -177.4 | -135.6 | 0 | 0 | 112.4 | | |
| 534 | P | 36.2 | Very low | 33.2 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 141.5 | 172.2 | 33.1 | -32.7 | 0 | 0 | 0 | 112.2 | | |
| 535 | Q | 34.7 | Very low | 32.7 | Very low | 187 Ų | 187 | 144.7 Ų | 144.7 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 163.5 | -161 | -63.8 | 169.3 | 7.9 | 0 | 0 | 115.7 | | |
| 536 | T | 27.3 | Very low | 32.7 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 150.4 | -179.3 | 53 | 0 | 0 | 0 | 0 | 115.3 | | |
| 537 | P | 37.4 | Very low | 32.5 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 147.1 | 145.6 | -4.9 | 24 | 0 | 0 | 0 | 110.6 | | |
| 538 | K | 38.5 | Very low | 32.3 | Very low | 190 Ų | 190 | 143.3 Ų | 143.3 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | | | trans | -96.9 | 174.3 | 179 | -65 | 174.1 | 179.4 | 173.3 | 0 | 111.9 | | |
| 539 | M | 33.1 | Very low | 32.2 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | | | trans | 97.5 | 139.8 | 167.3 | -61.3 | 179.6 | 60.7 | 0 | 0 | 116.4 | | |
| 540 | V | 33.3 | Very low | 32.1 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | | | cis | -160.1 | 158.7 | -15.6 | 115.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 541 | A | 31.8 | Very low | 31.8 | Very low | 92 Ų | 92 | 150.2 Ų | 150.2 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | | | trans | 67.8 | 110.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 542 | E | 32.4 | Very low | 32.2 | Very low | 148 Ų | 148 | 150 Ų | 150 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | | | trans | -67.1 | 166.7 | 152.3 | -141.3 | -173.4 | -144.7 | 0 | 0 | 110.5 | Q544 | E542-Q544 WeakPolarHBondContact OE2-CG 3.43Š|
| 543 | P | 31.2 | Very low | 31.9 | Very low | 115 Ų | 115 | 152.2 Ų | 152.2 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | | | | -147.5 | 132.9 | 82 | 36.4 | -17.7 | 0 | 0 | 0 | 116.9 | | |
| 544 | Q | 34.1 | Very low | 31.9 | Very low | 139 Ų | 139 | 148.7 Ų | 148.7 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | | | | 42.4 | 117.4 | 127.1 | -56.2 | 179.2 | 2.1 | 0 | 0 | 120.1 | E542 | E542-Q544 WeakPolarHBondContact OE2-CG 3.43Š|
| 545 | T | 24.1 | Very low | 31.8 | Very low | 144 Ų | 144 | 152.4 Ų | 152.4 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -64.5 | 129.8 | 149.9 | 40.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 546 | L | 31.4 | Very low | 31.8 | Very low | 151 Ų | 151 | 152.5 Ų | 152.5 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | -147.1 | 118.6 | 158.9 | -111.7 | 168.8 | 0 | 0 | 0 | 109.2 | | |
| 547 | E | 30.9 | Very low | 32.1 | Very low | 175 Ų | 175 | 152.9 Ų | 152.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -71.2 | 147.3 | 153.9 | -62.9 | -167.7 | 131.9 | 0 | 0 | 108.6 | | |
| 548 | T | 29.1 | Very low | 32 | Very low | 123 Ų | 123 | 151.1 Ų | 151.1 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | trans | 166.3 | 122.7 | 134 | -73.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 549 | E | 31.7 | Very low | 32.2 | Very low | 178 Ų | 178 | 151.7 Ų | 151.7 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | trans | 53.7 | 156.6 | 155.9 | -72.7 | -151.3 | 94.4 | 0 | 0 | 124.8 | | |
| 550 | K | 29.2 | Very low | 32.3 | Very low | 188 Ų | 188 | 148.2 Ų | 148.2 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | | | trans | -72.6 | 142.9 | 172.5 | -49.8 | 149.7 | -177.4 | 164 | 0 | 110 | | |
| 551 | Q | 28.9 | Very low | 32.6 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | | | trans | -163.1 | 124.9 | 152.6 | -120.3 | -179.5 | 61.9 | 0 | 0 | 113.3 | | |
| 552 | K | 34.8 | Very low | 32.4 | Very low | 195 Ų | 195 | 153.1 Ų | 153.1 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | | | | 171.8 | 114.4 | 120.1 | -96 | 168.8 | -179.2 | 171 | 0 | 114 | | |
| 553 | T | 26.3 | Very low | 32.7 | Very low | 145 Ų | 145 | 151.6 Ų | 151.6 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | | | trans | -132.3 | 144.3 | 144.5 | -3.4 | 0 | 0 | 0 | 0 | 106.7 | | |
| 554 | P | 32.8 | Very low | 33.1 | Very low | 105 Ų | 105 | 155.4 Ų | 155.4 | 68% | 0.682 | 81% | 0.805 | S | S | * | * | | | trans | -125.4 | 164.1 | -151.7 | 42.3 | -29.9 | 0 | 0 | 0 | 117.5 | | |
| 555 | K | 35.4 | Very low | 33.2 | Very low | 200 Ų | 200 | 154.9 Ų | 154.9 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | | | trans | 81.2 | 115.4 | 162.1 | -57.2 | 176.9 | 178.3 | 179.1 | 0 | 119.3 | | |
| 556 | E | 33.1 | Very low | 33.8 | Very low | 189 Ų | 189 | 155.3 Ų | 155.3 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | | -172.6 | 106.3 | 119.6 | -156.6 | 158.2 | -163.8 | 0 | 0 | 107.3 | | |
| 557 | V | 34.3 | Very low | 34.1 | Very low | 126 Ų | 126 | 156.6 Ų | 156.6 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | | | | 81 | 111.5 | 75.2 | 176.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 558 | A | 35.4 | Very low | 34.5 | Very low | 92 Ų | 92 | 153.6 Ų | 153.6 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | trans | 65.7 | 153 | 163.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 559 | K | 41.9 | Very low | 34.8 | Very low | 202 Ų | 202 | 157.1 Ų | 157.1 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | | | cis | -154.7 | 171.2 | -17.1 | -112.7 | -177 | 177.8 | -179.2 | 0 | 109.1 | | |
| 560 | P | 35.2 | Very low | 34.8 | Very low | 103 Ų | 103 | 152.9 Ų | 152.9 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | | | trans | -119.8 | 172.5 | -159.5 | 42.1 | -33.8 | 0 | 0 | 0 | 116.9 | | |
| 561 | Q | 39.6 | Very low | 35.2 | Very low | 191 Ų | 191 | 149.3 Ų | 149.3 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | | | | 174.8 | 173.2 | 127 | -95.4 | 170.3 | 42.3 | 0 | 0 | 115.5 | | |
| 562 | T | 29.2 | Very low | 35.6 | Very low | 126 Ų | 126 | 150 Ų | 150 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | trans | -130.6 | 162.7 | -173 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 563 | P | 38.2 | Very low | 35.6 | Very low | 116 Ų | 116 | 150.1 Ų | 150.1 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | | -142.8 | 143.7 | 125.6 | 23.5 | -2.6 | 0 | 0 | 0 | 113.3 | | |
| 564 | K | 39.8 | Very low | 35.8 | Very low | 195 Ų | 195 | 148.8 Ų | 148.8 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | | 96.1 | 159.2 | 56.9 | -79.2 | -173.1 | 177.3 | -175.5 | 0 | 114.8 | | |
| 565 | T | 35.4 | Very low | 36 | Very low | 128 Ų | 128 | 150.3 Ų | 150.3 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | 83.6 | 138.4 | 160 | -49.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 566 | E | 38 | Very low | 36 | Very low | 152 Ų | 152 | 150 Ų | 150 | 71% | 0.71 | 80% | 0.798 | S | S | * | * | | | cis | -164 | 156.2 | -45.2 | -131.4 | -179.1 | 90.5 | 0 | 0 | 112.8 | | |
| 567 | K | 36.7 | Very low | 36.1 | Very low | 179 Ų | 179 | 148.5 Ų | 148.5 | 78% | 0.778 | 80% | 0.796 | S | S | * | * | | | trans | 77.9 | 162.2 | 147.8 | -83 | -160.4 | 171.4 | -175.6 | 0 | 124.8 | | |
| 568 | P | 38.6 | Very low | 36.1 | Very low | 112 Ų | 112 | 150.7 Ų | 150.7 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | -137.3 | -174 | -154.8 | 47.4 | -30.6 | 0 | 0 | 0 | 116.5 | | |
| 569 | E | 36.4 | Very low | 36.1 | Very low | 197 Ų | 197 | 152.5 Ų | 152.5 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | | | trans | -157.1 | -180 | 144.7 | -127.5 | 169 | 179.5 | 0 | 0 | 114.3 | | |
| 570 | A | 31.5 | Very low | 36.1 | Very low | 88 Ų | 88 | 148.1 Ų | 148.1 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -146.8 | -163.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 571 | P | 36.6 | Very low | 36.3 | Very low | 113 Ų | 113 | 151.3 Ų | 151.3 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | cis | -141.4 | 173.7 | -1.9 | 43.7 | -24.6 | 0 | 0 | 0 | 118.4 | | |
| 572 | K | 37.7 | Very low | 36.1 | Very low | 197 Ų | 197 | 148.1 Ų | 148.1 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | | | trans | 6.2 | 145.6 | 148.3 | -50.1 | 172.6 | -177.1 | 175.6 | 0 | 122.5 | | |
| 573 | E | 35.4 | Very low | 36.4 | Very low | 197 Ų | 197 | 145.3 Ų | 145.3 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | | | trans | -141.7 | 170.4 | 134.3 | -149.9 | 175.1 | -166 | 0 | 0 | 111.6 | | |
| 574 | T | 31.1 | Very low | 36.1 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | | | trans | -163.7 | 124.7 | -163.9 | -60.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 575 | V | 37.3 | Very low | 35.9 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | trans | -147.9 | 128.6 | 160 | -167.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 576 | K | 34.5 | Very low | 36 | Very low | 194 Ų | 194 | 146.8 Ų | 146.8 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | cis | 91.9 | 131.3 | 36.3 | -107 | -173 | 177.6 | -176.3 | 0 | 115.6 | | |
| 577 | L | 34.6 | Very low | 35.7 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | trans | 154.3 | 162.4 | 149.4 | -85.8 | 170.1 | 0 | 0 | 0 | 110.1 | | |
| 578 | Q | 35.8 | Very low | 35.7 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | | -155.5 | 165 | -71 | -156.2 | 163.7 | -10.6 | 0 | 0 | 110.4 | | |
| 579 | T | 34 | Very low | 35.6 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | | | trans | -143.2 | 144.1 | -179.1 | -37.2 | 0 | 0 | 0 | 0 | 112 | | |
| 580 | P | 42 | Very low | 35.4 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | | | trans | -100 | 143.8 | 162.5 | 35.9 | -29.2 | 0 | 0 | 0 | 112 | | |
| 581 | E | 39.8 | Very low | 35.4 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | | 74.1 | 135.9 | 53 | -82.1 | -145.7 | -131.7 | 0 | 0 | 114.8 | | |
| 582 | T | 35 | Very low | 35.3 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | | | cis | -146.4 | -176.7 | -6.1 | -8.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 583 | G | 35.2 | Very low | 35.2 | Very low | 67 Ų | 67 | 141.6 Ų | 141.6 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | | | cis | -173.4 | -134.5 | 11.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 584 | E | 32.2 | Very low | 35.3 | Very low | 192 Ų | 192 | 137.5 Ų | 137.5 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | | | trans | -135.4 | -162.4 | -167.9 | -57.4 | -162.9 | 122.1 | 0 | 0 | 112.3 | | |
| 585 | P | 36.5 | Very low | 35.6 | Very low | 94 Ų | 94 | 141 Ų | 141 | 61% | 0.61 | 80% | 0.801 | S | S | * | * | | | cis | -147.5 | 175.8 | -0.8 | 43 | -21.7 | 0 | 0 | 0 | 121.5 | | |
| 586 | Q | 37.7 | Very low | 35.3 | Very low | 185 Ų | 185 | 141.9 Ų | 141.9 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | 86.4 | 156.6 | 144.2 | -85.4 | 164.1 | 64.7 | 0 | 0 | 123.5 | | |
| 587 | T | 31.8 | Very low | 35.2 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | | | trans | -143.7 | 162.8 | -166.8 | -24.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 588 | P | 35.8 | Very low | 35.1 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | | | | -158.8 | 146.4 | 104.7 | 37.6 | -17.6 | 0 | 0 | 0 | 119.5 | | |
| 589 | K | 36.9 | Very low | 34.7 | Very low | 209 Ų | 209 | 137 Ų | 137 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | | | trans | 47 | 127.2 | 134.3 | -56.9 | 173.6 | -178.4 | 175.1 | 0 | 122.2 | | |
| 590 | G | 32.3 | Very low | 34.6 | Very low | 82 Ų | 82 | 140.2 Ų | 140.2 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | | | trans | -168.6 | 127.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 591 | A | 30.8 | Very low | 34.2 | Very low | 98 Ų | 98 | 142.5 Ų | 142.5 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -86 | 161.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 592 | T | 35.7 | Very low | 33.7 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 87% | 0.871 | 80% | 0.802 | S | S | * | * | | | | -171.9 | 159.6 | 83.2 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 593 | N | 34.1 | Very low | 33.6 | Very low | 156 Ų | 156 | 143.7 Ų | 143.7 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | | | trans | -90.2 | 174.1 | -173.6 | -117.7 | 3.8 | 0 | 0 | 0 | 114.6 | | |
| 594 | P | 39 | Very low | 33.3 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 72% | 0.721 | 82% | 0.816 | S | S | * | * | | | trans | -110.4 | 172.3 | -154.4 | 42.2 | -38.7 | 0 | 0 | 0 | 117.6 | | |
| 595 | Q | 37 | Very low | 33.3 | Very low | 192 Ų | 192 | 142.2 Ų | 142.2 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | | | trans | -149.1 | 157.3 | 167.2 | -74.7 | -172 | 0.3 | 0 | 0 | 108.3 | | |
| 596 | K | 31.3 | Very low | 33.3 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 67% | 0.665 | 82% | 0.824 | S | S | * | * | | | cis | -156.5 | 159.8 | -18.2 | 170.2 | 178.8 | 170.3 | -89.8 | 0 | 106.8 | E598 | K596-E598 IonicContact NZ-OE1 3.16Å; K596-E598 PolarHBondContact NZ-OE1 2.94Å |
| 597 | L | 30.8 | Very low | 33.1 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | | | trans | -41.4 | 138.8 | 166.5 | -63.3 | 146.7 | 0 | 0 | 0 | 114 | | |
| 598 | E | 32.4 | Very low | 33.1 | Very low | 172 Ų | 172 | 146.4 Ų | 146.4 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | | -165.7 | 169.9 | 111.8 | -99.8 | 142.7 | -133.8 | 0 | 0 | 110 | K596 | K596-E598 IonicContact NZ-OE1 3.16Å; K596-E598 PolarHBondContact NZ-OE1 2.94Å |
| 599 | A | 28.4 | Very low | 32.9 | Very low | 102 Ų | 102 | 145.6 Ų | 145.6 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | | | trans | -138.4 | 138 | -163.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 600 | E | 32.3 | Very low | 32.9 | Very low | 198 Ų | 198 | 145.4 Ų | 145.4 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | | | trans | -148.4 | 156.1 | 163.9 | -138.7 | 174.3 | 172 | 0 | 0 | 111 | | |
| 601 | I | 32.8 | Very low | 33 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | | | trans | -107.3 | 139.6 | -168 | -68.6 | 176.5 | 0 | 0 | 0 | 109.3 | | |
| 602 | P | 30.4 | Very low | 33.2 | Very low | 123 Ų | 123 | 151.9 Ų | 151.9 | 80% | 0.799 | 83% | 0.825 | S | S | * | * | | | trans | -79.4 | 147 | -160 | 30.4 | -37.2 | 0 | 0 | 0 | 115 | | |
| 603 | Q | 33.1 | Very low | 32.9 | Very low | 196 Ų | 196 | 151.5 Ų | 151.5 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | | | trans | -97.8 | 141 | 161.3 | -64.6 | -174.7 | 5.3 | 0 | 0 | 110.5 | | |
| 604 | A | 27.7 | Very low | 32.9 | Very low | 101 Ų | 101 | 149.6 Ų | 149.6 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | | | trans | -111.2 | 125.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 605 | P | 32.9 | Very low | 32.8 | Very low | 127 Ų | 127 | 154 Ų | 154 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | -91.9 | 163.9 | 174.4 | 35.1 | -33 | 0 | 0 | 0 | 113.3 | | |
| 606 | K | 36.3 | Very low | 32.3 | Very low | 196 Ų | 196 | 151 Ų | 151 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | | | trans | -68.4 | 154.4 | 178.8 | -52.4 | 147.5 | -174.8 | 172.8 | 0 | 111.1 | | |
| 607 | E | 32.8 | Very low | 32.6 | Very low | 173 Ų | 173 | 152 Ų | 152 | 81% | 0.808 | 83% | 0.829 | S | S | * | * | | | | 170.1 | 140.6 | 105.8 | -87.6 | -153.4 | 95.8 | 0 | 0 | 115.9 | | |
| 608 | V | 32.4 | Very low | 32.6 | Very low | 127 Ų | 127 | 153.4 Ų | 153.4 | 77% | 0.77 | 83% | 0.831 | S | S | * | * | | | trans | 30.9 | 114.5 | 134.3 | -170.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 609 | A | 32.8 | Very low | 32.7 | Very low | 95 Ų | 95 | 152.3 Ų | 152.3 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | | | | -163.8 | 138.6 | 129.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 610 | K | 36.6 | Very low | 33.1 | Very low | 204 Ų | 204 | 157 Ų | 157 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | | | trans | -109.7 | 127.7 | 166.8 | -74.9 | -177.9 | 178.9 | 177.4 | 0 | 110 | | |
| 611 | P | 33.5 | Very low | 33.1 | Very low | 129 Ų | 129 | 155.9 Ų | 155.9 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 155.8 | 159 | -14.5 | 30.9 | 0 | 0 | 0 | 111.3 | | |
| 612 | Q | 36.3 | Very low | 33.4 | Very low | 187 Ų | 187 | 153.9 Ų | 153.9 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 155.4 | -179.3 | -65.9 | 174.4 | -12 | 0 | 0 | 112.1 | | |
| 613 | T | 27.5 | Very low | 33.9 | Very low | 134 Ų | 134 | 157.8 Ų | 157.8 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 126.5 | 172.4 | -29.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 614 | P | 35.7 | Very low | 33.9 | Very low | 116 Ų | 116 | 156.4 Ų | 156.4 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 155.7 | 165.7 | 31.3 | -33.2 | 0 | 0 | 0 | 110.9 | | |
| 615 | K | 35.7 | Very low | 34.3 | Very low | 205 Ų | 205 | 159.1 Ų | 159.1 | 89% | 0.891 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 160.6 | 176.3 | -76.4 | -175.7 | 177.1 | 179.9 | 0 | 112.1 | | |
| 616 | T | 27.6 | Very low | 34.4 | Very low | 128 Ų | 128 | 158.1 Ų | 158.1 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | | | trans | -39.7 | 143.3 | 174 | -42.1 | 0 | 0 | 0 | 0 | 115.8 | E618 | T616-E618 HydrophobicContact CG2-CG 4.33Š|
| 617 | E | 36.6 | Very low | 34.5 | Very low | 174 Ų | 174 | 155.9 Ų | 155.9 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | -132.8 | 132 | 152.6 | -170.5 | 165.7 | -133.2 | 0 | 0 | 108.6 | | |
| 618 | E | 30.7 | Very low | 34.6 | Very low | 176 Ų | 176 | 152.7 Ų | 152.7 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | | | trans | -95 | 119.2 | -176.4 | -68.4 | -176.9 | 106.8 | 0 | 0 | 111.6 | T616 | T616-E618 HydrophobicContact CG2-CG 4.33Š|
| 619 | L | 34.8 | Very low | 34.6 | Very low | 150 Ų | 150 | 155.9 Ų | 155.9 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | | | trans | -131.9 | 74.7 | 174.4 | -72.5 | 177.6 | 0 | 0 | 0 | 113.9 | | |
| 620 | K | 36.7 | Very low | 34.6 | Very low | 201 Ų | 201 | 157.9 Ų | 157.9 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | | 45 | 102.2 | 127.9 | -151.6 | 165.5 | -168.1 | 166.5 | 0 | 118.3 | | |
| 621 | M | 32.3 | Very low | 34.6 | Very low | 174 Ų | 174 | 154 Ų | 154 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 142.1 | 172 | -68.5 | -88.7 | -75.4 | 0 | 0 | 114.1 | | |
| 622 | P | 39.3 | Very low | 34.4 | Very low | 116 Ų | 116 | 151.5 Ų | 151.5 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 161.8 | 161.2 | 33.4 | -33.3 | 0 | 0 | 0 | 111.6 | | |
| 623 | K | 39.9 | Very low | 34.3 | Very low | 204 Ų | 204 | 152.5 Ų | 152.5 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 132.7 | -165.1 | -64.2 | 174 | 179.7 | 177.1 | 0 | 114.5 | | |
| 624 | E | 33.7 | Very low | 34.4 | Very low | 167 Ų | 167 | 153.2 Ų | 153.2 | 78% | 0.78 | 82% | 0.815 | S | S | * | * | | | trans | -14.1 | 128.9 | 138.9 | -175.5 | 177.1 | -152.7 | 0 | 0 | 115.8 | V626 | E624-V626 HydrophobicContact CG-CG2 3.91Š|
| 625 | I | 36.7 | Very low | 34.4 | Very low | 159 Ų | 159 | 152.5 Ų | 152.5 | 82% | 0.815 | 82% | 0.819 | S | S | * | * | | | trans | -97.9 | 108.6 | 163.7 | -65.3 | 176.8 | 0 | 0 | 0 | 107.2 | | |
| 626 | V | 33.9 | Very low | 34.5 | Very low | 105 Ų | 105 | 151.2 Ų | 151.2 | 64% | 0.636 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 123.3 | 179 | 178.8 | 0 | 0 | 0 | 0 | 110.1 | E624 | E624-V626 HydrophobicContact CG-CG2 3.91Š|
| 627 | I | 39 | Very low | 34.7 | Very low | 149 Ų | 149 | 151.8 Ų | 151.8 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 127.3 | 159.9 | -59.2 | 178.1 | 0 | 0 | 0 | 106.5 | E629 | I627-E629 PolarHBondContact O-N 3.33Š|
| 628 | P | 34.4 | Very low | 34.6 | Very low | 106 Ų | 106 | 151.2 Ų | 151.2 | 69% | 0.688 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 117.4 | -171.2 | 29.5 | -34.3 | 0 | 0 | 0 | 112.6 | | |
| 629 | E | 33.5 | Very low | 34.5 | Very low | 194 Ų | 194 | 149 Ų | 149 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 121.9 | 161 | -68.6 | -165.8 | 144.8 | 0 | 0 | 110 | I627 S631 | I627-E629 PolarHBondContact O-N 3.33Å; E629-S631 PolarHBondContact O-N 3.16Å |
| 630 | T | 32.7 | Very low | 34.9 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | | | trans | -80.7 | 112.8 | 173.6 | 50.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 631 | S | 36.2 | Very low | 34.9 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | trans | -63.1 | 137.3 | 179.4 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | E629 | E629-S631 PolarHBondContact O-N 3.16Š|
| 632 | G | 29.9 | Very low | 34.9 | Very low | 77 Ų | 77 | 144.5 Ų | 144.5 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | trans | -76.2 | 174.9 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 633 | K | 34 | Very low | 34.9 | Very low | 208 Ų | 208 | 145.2 Ų | 145.2 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | | | trans | -144.4 | 130.3 | 163.8 | -140.2 | 174.9 | -171.8 | 179.2 | 0 | 110.5 | | |
| 634 | T | 30 | Very low | 34.7 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 91% | 0.914 | 80% | 0.804 | S | S | * | * | | | trans | -75.7 | 127.6 | 175.7 | 13.6 | 0 | 0 | 0 | 0 | 111 | | |
| 635 | A | 35.2 | Very low | 35.2 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | | | trans | -153.4 | 145.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 636 | E | 36.4 | Very low | 35.1 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | trans | -88.8 | 172.6 | -169.4 | -54.9 | 180 | 129.9 | 0 | 0 | 114.3 | | |
| 637 | L | 31.9 | Very low | 35.2 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | | | trans | 90.6 | 145.3 | 146.6 | -76.9 | 161.4 | 0 | 0 | 0 | 121.9 | | |
| 638 | H | 34.7 | Very low | 35.1 | Very low | 163 Ų | 163 | 138 Ų | 138 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | | | trans | 65.1 | 105.4 | 165.4 | -74.2 | -66.6 | 0 | 0 | 0 | 121.4 | | |
| 639 | T | 30.1 | Very low | 35.1 | Very low | 128 Ų | 128 | 138 Ų | 138 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | | | trans | -69.7 | 145.1 | 148.5 | 44.1 | 0 | 0 | 0 | 0 | 112 | | |
| 640 | P | 42.4 | Very low | 35.3 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | | | trans | -104.7 | 167.5 | 152 | 35.8 | -28.9 | 0 | 0 | 0 | 111.9 | | |
| 641 | V | 37.4 | Very low | 35.2 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -101.8 | 160.8 | -175.2 | 170.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 642 | E | 32.1 | Very low | 35.3 | Very low | 175 Ų | 175 | 139.4 Ų | 139.4 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -37.6 | 139.7 | 177.2 | -52.3 | 174.6 | 146.6 | 0 | 0 | 116.9 | | |
| 643 | T | 38.1 | Very low | 35.8 | Very low | 131 Ų | 131 | 143 Ų | 143 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | | -171.6 | 138.9 | 124 | 13.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 644 | P | 36.8 | Very low | 35.7 | Very low | 127 Ų | 127 | 141 Ų | 141 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | -88.7 | 146.3 | 170.4 | 34.7 | -32.2 | 0 | 0 | 0 | 111.5 | | |
| 645 | I | 43.9 | Very low | 36.2 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 82% | 0.821 | 80% | 0.8 | S | S | * | * | | | trans | -124.3 | 127 | 176.4 | -58.2 | 178 | 0 | 0 | 0 | 109.4 | | |
| 646 | T | 34.8 | Very low | 36.1 | Very low | 128 Ų | 128 | 141 Ų | 141 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | -75.9 | 135.8 | 174.7 | -47.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 647 | P | 36.2 | Very low | 36.4 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -75 | 142.5 | -175.6 | 29.8 | -35.5 | 0 | 0 | 0 | 113.1 | | |
| 648 | A | 35.3 | Very low | 36.5 | Very low | 91 Ų | 91 | 137.8 Ų | 137.8 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | trans | -121.2 | 144.3 | 166 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 649 | S | 35.6 | Very low | 36.8 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | | | trans | -101.7 | 122.6 | -164 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 650 | H | 37.8 | Very low | 37.2 | Very low | 186 Ų | 186 | 138.7 Ų | 138.7 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | | | trans | -135.2 | 120 | 165.8 | -59.7 | -64.5 | 0 | 0 | 0 | 110.4 | | |
| 651 | T | 29.9 | Very low | 37.3 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | trans | -105.6 | 133.7 | 175.3 | -44.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 652 | L | 39 | Very low | 37.3 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | -154.1 | 140.5 | 165.3 | -114.3 | 172.6 | 0 | 0 | 0 | 112.4 | | |
| 653 | E | 39.8 | Very low | 37.6 | Very low | 153 Ų | 153 | 132.9 Ų | 132.9 | 72% | 0.715 | 81% | 0.805 | S | S | * | * | | | trans | -47.4 | 132.5 | 176.7 | -55.6 | -54.9 | 149.6 | 0 | 0 | 113.3 | | |
| 654 | E | 32.4 | Very low | 37.7 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 77% | 0.771 | 81% | 0.81 | S | S | * | * | | | | 88.5 | 118.8 | 88 | -166.8 | -171.4 | -154 | 0 | 0 | 113.6 | | |
| 655 | S | 40.1 | Very low | 37.8 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | trans | -162.1 | 120.3 | 158 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 656 | T | 32.3 | Very low | 37.4 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | -87 | 145.8 | -176 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 657 | A | 42.7 | Very low | 37.4 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | | | trans | -152.5 | 128.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 658 | E | 35.2 | Very low | 37.3 | Very low | 147 Ų | 147 | 136 Ų | 136 | 69% | 0.687 | 80% | 0.801 | S | S | * | * | | | trans | -84.7 | 151.2 | 178.1 | -56 | -168 | 111.4 | 0 | 0 | 112.5 | K660 | E658-K660 WeakPolarHBondContact OE1-CE 3.35Å; E658-K660 IonicContact OE1-NZ 2.61Å; E658-K660 PolarHBondContact OE1-NZ 3.43Å; E658-K660 IonicContact OE2-NZ 2.85Å; E658-K660 PolarHBondContact OE2-NZ 3.24Å |
| 659 | T | 41.4 | Very low | 37.4 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 92% | 0.92 | 80% | 0.801 | S | S | * | * | | | trans | -148.8 | 135.2 | 134.7 | -31.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 660 | K | 38.4 | Very low | 37.5 | Very low | 160 Ų | 160 | 139 Ų | 139 | 70% | 0.696 | 80% | 0.804 | S | S | * | * | | | trans | -102 | 143.5 | -174.3 | -60.7 | 177.5 | 175.2 | 93.1 | 0 | 111.4 | E658 | E658-K660 WeakPolarHBondContact OE1-CE 3.35Å; E658-K660 IonicContact OE1-NZ 2.61Å; E658-K660 PolarHBondContact OE1-NZ 3.43Å; E658-K660 IonicContact OE2-NZ 2.85Å; E658-K660 PolarHBondContact OE2-NZ 3.24Å |
| 661 | S | 43.4 | Very low | 37.2 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | | | trans | -144.8 | 146.4 | 159.3 | -168.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 662 | A | 37.3 | Very low | 37.7 | Very low | 105 Ų | 105 | 137 Ų | 137 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | | | trans | -108.9 | 143.8 | -160.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 663 | G | 38.3 | Very low | 37.8 | Very low | 74 Ų | 74 | 137.8 Ų | 137.8 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | | | trans | -139.5 | 5.9 | -167.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 664 | K | 41.4 | Very low | 37.8 | Very low | 209 Ų | 209 | 137.1 Ų | 137.1 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | | | trans | 69.1 | 162.3 | -179.6 | -64.8 | -175.5 | 176.6 | -178.7 | 0 | 117.2 | | |
| 665 | P | 38.8 | Very low | 38 | Very low | 110 Ų | 110 | 138 Ų | 138 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | | | trans | -129.3 | 158.2 | -158.6 | 42.1 | -26.2 | 0 | 0 | 0 | 117.7 | | |
| 666 | V | 34.4 | Very low | 38.1 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 66% | 0.661 | 80% | 0.8 | S | S | * | * | | | trans | 48.8 | 125.7 | 132.1 | -179.3 | 0 | 0 | 0 | 0 | 119.8 | Q668 | V666-Q668 HydrophobicContact CG1-CG 4.03Š|
| 667 | P | 36.4 | Very low | 38.3 | Very low | 131 Ų | 131 | 139 Ų | 139 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | | | | -118.7 | 160.4 | 101.9 | -7 | 26.9 | 0 | 0 | 0 | 115.1 | | |
| 668 | Q | 33.9 | Very low | 38.2 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | -111.4 | 136.7 | 176.8 | -63.4 | 157.4 | -88.3 | 0 | 0 | 111.5 | V666 | V666-Q668 HydrophobicContact CG1-CG 4.03Š|
| 669 | S | 37.7 | Very low | 38.3 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | trans | 174.3 | 131.6 | 167.4 | 52.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 670 | L | 36.8 | Very low | 38.2 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | cis | -136.4 | 148.2 | -4.3 | -58.9 | 169.1 | 0 | 0 | 0 | 105.3 | | |
| 671 | S | 32.3 | Very low | 38.3 | Very low | 90 Ų | 90 | 138.2 Ų | 138.2 | 63% | 0.629 | 81% | 0.81 | S | S | * | * | | | cis | 71.7 | 107.8 | 37.3 | 76.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 672 | E | 39.3 | Very low | 37.9 | Very low | 187 Ų | 187 | 141.9 Ų | 141.9 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | | | trans | 68.6 | 100.6 | 148.2 | -60.8 | 172 | 173.5 | 0 | 0 | 120.3 | | |
| 673 | E | 42.4 | Very low | 37.9 | Very low | 180 Ų | 180 | 142.3 Ų | 142.3 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | | | trans | -177.4 | 136 | 134.5 | -87.6 | -153.3 | 120.5 | 0 | 0 | 107.1 | | |
| 674 | L | 37.8 | Very low | 38.1 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 73% | 0.728 | 81% | 0.806 | S | S | * | * | | | cis | -150.2 | 132.2 | -11.9 | -100.1 | 169.2 | 0 | 0 | 0 | 108.3 | | |
| 675 | E | 38.7 | Very low | 37.8 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | -83.1 | 136.2 | 149.7 | -70.2 | -167.9 | 137.8 | 0 | 0 | 108.3 | | |
| 676 | L | 42.1 | Very low | 38.1 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | | | trans | 170.4 | 93.9 | 147.3 | -97.9 | 159.9 | 0 | 0 | 0 | 111.8 | | |
| 677 | A | 36.3 | Very low | 38.4 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | | | trans | -158.8 | 37.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G679 | A677-G679 PolarHBondContact O-N 3.4Å; A677-G679 VanDerWaalsContact O-N 3.11Å |
| 678 | I | 39.9 | Very low | 38.3 | Very low | 172 Ų | 172 | 145.2 Ų | 145.2 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | | | trans | -74 | 102.5 | 169.4 | -61.4 | 178.2 | 0 | 0 | 0 | 108.1 | | |
| 679 | G | 37.2 | Very low | 38.5 | Very low | 67 Ų | 67 | 142.7 Ų | 142.7 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | | | trans | -110 | 112.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | A677 | A677-G679 PolarHBondContact O-N 3.4Å; A677-G679 VanDerWaalsContact O-N 3.11Å |
| 680 | E | 38.7 | Very low | 38.3 | Very low | 185 Ų | 185 | 142.4 Ų | 142.4 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | | | trans | -67.2 | 131.8 | 179.8 | -61.9 | -179.1 | 98.3 | 0 | 0 | 112.4 | | |
| 681 | S | 40.2 | Very low | 38.4 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | | | trans | -146.1 | 123.7 | 149.2 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 682 | K | 37 | Very low | 38.5 | Very low | 206 Ų | 206 | 142.9 Ų | 142.9 | 90% | 0.896 | 82% | 0.822 | S | S | * | * | | | trans | -69.8 | 145.3 | -173.2 | -76.5 | 170.4 | 173.5 | 166.9 | 0 | 112.5 | | |
| 683 | S | 36.8 | Very low | 38.6 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | -128 | 132.8 | 148.2 | -171 | 0 | 0 | 0 | 0 | 108.9 | | |
| 684 | P | 42.3 | Very low | 38.6 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 136.7 | -171.6 | 33.3 | -33.8 | 0 | 0 | 0 | 113.5 | | |
| 685 | Q | 35.3 | Very low | 38.7 | Very low | 187 Ų | 187 | 140.8 Ų | 140.8 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 145.7 | 160.1 | -78.2 | -170.2 | -39.2 | 0 | 0 | 111.1 | | |
| 686 | P | 45.1 | Very low | 38.8 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75 | 151.9 | 167.4 | 32.7 | -34.2 | 0 | 0 | 0 | 111.4 | | |
| 687 | P | 39.6 | Very low | 38.6 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 141.8 | -174.3 | 32.2 | -35.3 | 0 | 0 | 0 | 113.3 | | |
| 688 | T | 34.6 | Very low | 38.7 | Very low | 145 Ų | 145 | 138 Ų | 138 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 134.1 | 164.4 | 45.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 689 | S | 38.8 | Very low | 38.8 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 134.1 | 172.9 | 47.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 690 | S | 33.8 | Very low | 39 | Very low | 101 Ų | 101 | 141 Ų | 141 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 144.8 | -179.1 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 691 | S | 39.2 | Very low | 39.1 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | -144.3 | 126.6 | 151.3 | 59.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 692 | N | 34.1 | Very low | 39.1 | Very low | 136 Ų | 136 | 142 Ų | 142 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -87 | 148.7 | -175.4 | -59.8 | -69.6 | 0 | 0 | 0 | 112 | | |
| 693 | N | 40.2 | Very low | 39.3 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | | | | 161.4 | 153.2 | 126.6 | -86 | -41.5 | 0 | 0 | 0 | 109.3 | | |
| 694 | K | 42.2 | Very low | 39.5 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 73% | 0.726 | 79% | 0.787 | S | S | * | * | | | cis | 166.6 | 144.7 | -17.9 | -146.8 | -176.5 | -173.1 | 175.4 | 0 | 102.3 | | |
| 695 | I | 40.5 | Very low | 39.2 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | | | trans | 69.8 | 141.1 | 163.2 | -63.7 | 161.3 | 0 | 0 | 0 | 114.7 | | |
| 696 | R | 40.2 | Very low | 39.7 | Very low | 199 Ų | 199 | 137.8 Ų | 137.8 | 75% | 0.751 | 78% | 0.784 | S | S | * | * | | | cis | -172.4 | 155.7 | -16.5 | 176.4 | 168.5 | 178.4 | 179.1 | -2.4 | 109.4 | | |
| 697 | D | 39.6 | Very low | 39.3 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 68% | 0.684 | 79% | 0.789 | S | S | * | * | | | trans | 16.3 | 132.3 | 162.4 | -44.1 | -13 | 0 | 0 | 0 | 120.1 | | |
| 698 | G | 37.2 | Very low | 39.2 | Very low | 71 Ų | 71 | 137.6 Ų | 137.6 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | | | trans | 175.8 | 60.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 699 | M | 41.7 | Very low | 39.5 | Very low | 183 Ų | 183 | 140 Ų | 140 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | | | trans | 65.6 | 135.1 | 142.1 | -54 | -172.5 | -178.4 | 0 | 0 | 123.6 | | |
| 700 | S | 43 | Very low | 39.4 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | 69.8 | 128.5 | 144 | 47.2 | 0 | 0 | 0 | 0 | 122 | | |
| 701 | E | 39.2 | Very low | 39.7 | Very low | 182 Ų | 182 | 140 Ų | 140 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | | | trans | -71.1 | 153.1 | 163.4 | -53.5 | 165.1 | 156.4 | 0 | 0 | 110.8 | | |
| 702 | D | 40.6 | Very low | 40 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | | -172.5 | 124 | 126.4 | -107.7 | -17.2 | 0 | 0 | 0 | 114 | | |
| 703 | L | 42 | Very low | 40 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 71% | 0.707 | 79% | 0.79 | S | S | * | * | | | trans | 57.5 | 152 | 135.6 | -60.5 | 168.5 | 0 | 0 | 0 | 124.6 | | |
| 704 | H | 40.3 | Very low | 40 | Very low | 168 Ų | 168 | 139 Ų | 139 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | | | trans | 75.3 | 86.2 | 156.2 | -65.8 | -54.1 | 0 | 0 | 0 | 122.1 | | |
| 705 | S | 35.9 | Very low | 39.4 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | -63.7 | 173.5 | 135.1 | -45.5 | 0 | 0 | 0 | 0 | 112 | | |
| 706 | P | 46.2 | Very low | 39.4 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | cis | -131.6 | 173.2 | -44.3 | 36.1 | -20.8 | 0 | 0 | 0 | 112.3 | | |
| 707 | A | 36.5 | Very low | 39.1 | Very low | 103 Ų | 103 | 135.3 Ų | 135.3 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | trans | -145.8 | 145.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 708 | V | 37.7 | Very low | 39 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | | | trans | -98.7 | 134 | -178.8 | 174 | 0 | 0 | 0 | 0 | 110.6 | | |
| 709 | Q | 41 | Very low | 38.9 | Very low | 196 Ų | 196 | 139.6 Ų | 139.6 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | | | trans | -156.4 | 125.1 | 152 | -116.6 | 165.3 | 30.8 | 0 | 0 | 112.7 | | |
| 710 | S | 37.4 | Very low | 38.8 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 165.2 | 173.6 | -56.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 711 | P | 39.4 | Very low | 38.6 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 168.9 | -153.6 | 37.6 | -38.2 | 0 | 0 | 0 | 115.2 | | |
| 712 | P | 45.6 | Very low | 38.5 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 131.8 | 158.9 | 34.8 | -28.4 | 0 | 0 | 0 | 111.9 | | |
| 713 | T | 33.2 | Very low | 38.6 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 146.6 | 160 | 46.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 714 | S | 39.8 | Very low | 38.4 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | | | trans | -154.7 | 125.3 | 168.1 | -67.8 | 0 | 0 | 0 | 0 | 111 | | |
| 715 | E | 31.2 | Very low | 38.4 | Very low | 190 Ų | 190 | 129.9 Ų | 129.9 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | | | trans | -86 | 147.3 | 171.7 | -57 | 176.9 | 130.6 | 0 | 0 | 110.5 | | |
| 716 | A | 38.9 | Very low | 38.6 | Very low | 104 Ų | 104 | 134.2 Ų | 134.2 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | trans | -150.4 | 125.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 717 | N | 33.9 | Very low | 38.3 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | | | trans | -94.8 | 174 | 177.8 | -84.1 | -73.1 | 0 | 0 | 0 | 111.7 | | |
| 718 | S | 38.3 | Very low | 38.5 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | | | trans | 78 | 157.4 | 168 | 88.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 719 | F | 34.3 | Very low | 38.5 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | | | cis | -156.6 | 137.6 | 1.1 | -151.7 | -140.7 | 0 | 0 | 0 | 112 | | |
| 720 | V | 39.8 | Very low | 38.5 | Very low | 100 Ų | 100 | 129 Ų | 129 | 61% | 0.606 | 74% | 0.737 | S | S | * | * | | | trans | 69.9 | 147.2 | 133.1 | 137.7 | 0 | 0 | 0 | 0 | 123.4 | | |
| 721 | D | 39.5 | Very low | 38.7 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 67% | 0.668 | 74% | 0.74 | S | S | * | * | | | trans | 70.9 | 146.5 | 155.6 | -92.6 | 25.1 | 0 | 0 | 0 | 121.6 | | |
| 722 | N | 38 | Very low | 38.7 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 54% | 0.54 | 73% | 0.733 | S | S | . | * | | | cis | -164.5 | 169.5 | -18 | -144.8 | -32.7 | 0 | 0 | 0 | 110.9 | | |
| 723 | K | 41.9 | Very low | 38.4 | Very low | 157 Ų | 157 | 131.9 Ų | 131.9 | 68% | 0.683 | 73% | 0.729 | S | S | * | * | | | trans | 65.9 | 145.6 | 148.7 | -80.9 | 156.2 | -166.8 | 164 | 0 | 118.9 | | |
| 724 | M | 37.7 | Very low | 38.8 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | | | cis | -167.2 | 166.1 | -15.3 | -141 | 174.2 | -170.6 | 0 | 0 | 110.5 | | |
| 725 | S | 41.1 | Very low | 38.8 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 62% | 0.622 | 71% | 0.714 | S | S | * | * | | | trans | 76.9 | 145.9 | 148.4 | -67.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 726 | R | 39.2 | Very low | 39.1 | Very low | 199 Ų | 199 | 129.9 Ų | 129.9 | 75% | 0.751 | 70% | 0.702 | S | S | * | * | | | cis | -172.6 | 151.7 | -12.4 | -116.7 | 175.9 | -173.9 | -143.9 | -1.2 | 111.3 | | |
| 727 | L | 39.4 | Very low | 39.2 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 73% | 0.728 | 70% | 0.7 | S | S | * | * | | | trans | 65.7 | 155 | 150.4 | -59.9 | 166 | 0 | 0 | 0 | 116.8 | | |
| 728 | S | 40.5 | Very low | 39.4 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 59% | 0.594 | 70% | 0.7 | S | S | * | * | | | cis | -161.2 | 129.7 | -10 | -103.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 729 | D | 39.1 | Very low | 39.5 | Very low | 140 Ų | 140 | 132 Ų | 132 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | | | | 89.8 | 156 | 83.1 | -70.5 | -56.4 | 0 | 0 | 0 | 115.3 | | |
| 730 | A | 39.9 | Very low | 39.7 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 72% | 0.719 | 71% | 0.705 | S | S | * | * | | | trans | 72 | 152.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 731 | Q | 42.6 | Very low | 39.8 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | | | cis | -168.2 | 150.6 | -19.4 | -106.3 | -165.1 | 119.1 | 0 | 0 | 107.8 | | |
| 732 | T | 39.1 | Very low | 39.7 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 61% | 0.607 | 72% | 0.718 | S | S | * | * | | | cis | -173 | 154.6 | -22 | 11.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 733 | L | 39 | Very low | 39.7 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 70% | 0.696 | 73% | 0.731 | S | S | * | * | | | trans | 72.2 | 141.1 | 143.6 | -71 | 168.3 | 0 | 0 | 0 | 123.4 | | |
| 734 | K | 42.5 | Very low | 39.7 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | | | trans | 74 | 149.5 | 137.9 | -77.3 | 169.6 | -178.8 | 177.7 | 0 | 120.4 | | |
| 735 | N | 38.2 | Very low | 40 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 65% | 0.647 | 75% | 0.745 | S | S | * | * | | | cis | -171.5 | 172.1 | -28.1 | -125.2 | 39.5 | 0 | 0 | 0 | 110.7 | | |
| 736 | D | 39 | Very low | 40.4 | Very low | 118 Ų | 118 | 139 Ų | 139 | 63% | 0.631 | 75% | 0.748 | S | S | * | * | | | trans | 65.1 | 113.1 | 144.6 | -62.7 | -30.8 | 0 | 0 | 0 | 123.4 | | |
| 737 | L | 40.8 | Very low | 40.9 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | | | | 80.1 | 131.8 | 124.2 | -60.5 | 172.2 | 0 | 0 | 0 | 123 | | |
| 738 | T | 37.5 | Very low | 41 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | trans | -61.3 | 170.9 | 163.6 | 52.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 739 | P | 40.3 | Very low | 41.6 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | | | cis | -140.3 | -167.2 | 19.1 | 40.6 | -19.3 | 0 | 0 | 0 | 116.6 | | |
| 740 | R | 39.4 | Very low | 42.2 | Very low | 231 Ų | 231 | 139.4 Ų | 139.4 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | | | trans | -63.5 | 156.9 | 170 | -69.9 | -179 | 171.8 | -179 | -3.7 | 112.9 | | |
| 741 | P | 41.1 | Very low | 42.7 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | | -134 | -161.9 | 106.7 | 39.6 | -30.1 | 0 | 0 | 0 | 114.3 | | |
| 742 | S | 37.3 | Very low | 42.7 | Very low | 104 Ų | 104 | 142.3 Ų | 142.3 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -114.3 | -177.7 | -160.8 | -50.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 743 | T | 38.6 | Very low | 42.9 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | | | trans | 83.3 | 130 | 162.7 | -11.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 744 | E | 41.3 | Very low | 43.1 | Very low | 183 Ų | 183 | 145.2 Ų | 145.2 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | | | | -153.8 | 168.1 | 54.3 | -79.1 | 170.2 | 169.7 | 0 | 0 | 114.5 | | |
| 745 | L | 43.4 | Very low | 43.1 | Very low | 169 Ų | 169 | 143.8 Ų | 143.8 | 89% | 0.885 | 83% | 0.826 | S | S | * | * | | | trans | -114.7 | 158.8 | 166.8 | -81.9 | 168.9 | 0 | 0 | 0 | 108.9 | | |
| 746 | P | 50.2 | Low | 43.4 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 68% | 0.682 | 84% | 0.837 | S | S | * | * | | | | -145.7 | 150.3 | 121.2 | 37.2 | -22.3 | 0 | 0 | 0 | 115.9 | | |
| 747 | E | 49.1 | Very low | 43.7 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 81% | 0.813 | 85% | 0.851 | S | S | * | * | | | | 53.3 | 156.6 | 127.5 | -58.6 | -171.8 | 131.5 | 0 | 0 | 122.4 | | |
| 748 | T | 42.6 | Very low | 43.9 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 80% | 0.804 | 85% | 0.853 | S | S | * | * | | | cis | -163.7 | 174.6 | -13.8 | 25.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 749 | G | 53.1 | Low | 44.4 | Very low | 68 Ų | 68 | 147.8 Ų | 147.8 | 70% | 0.701 | 86% | 0.859 | S | S | * | * | | | trans | 112.7 | 89.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 750 | E | 50.4 | Low | 44.8 | Very low | 197 Ų | 197 | 150.2 Ų | 150.2 | 92% | 0.921 | 87% | 0.866 | S | S | * | * | | | | 83.5 | 99.9 | 64.6 | -70.7 | -160.1 | 152.9 | 0 | 0 | 115.5 | | |
| 751 | A | 50.8 | Low | 45.3 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 100% | 1.488 | 87% | 0.865 | S | S | * | * | | | trans | -165.2 | 0 | 137.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |