| 1 | M | 58 | Low | 70.5 | Confident | 199 Ų | 199 | 116.3 Ų | 116.3 | 98% | 0.98 | 62% | 0.623 | S | S | * | * | | | | 0 | -47.2 | 0 | -59.5 | -52 | -166.7 | 0 | 0 | 112.8 | T3 | M1-T3 PolarHBondContact O-N 3.19Š|
| 2 | G | 59.4 | Low | 70.5 | Confident | 47 Ų | 47 | 110.1 Ų | 110.1 | 49% | 0.485 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.7 | -31.5 | -176 | 0 | 0 | 0 | 0 | 0 | 116.5 | W4 I5 L6 | G2-W4 VanDerWaalsContact C-N 3.32Å; G2-W4 PolarHBondContact O-N 3.23Å; G2-I5 PolarHBondContact O-N 3.22Å; G2-L6 PolarHBondContact O-N 3.09Å |
| 3 | T | 66.6 | Low | 70.1 | Confident | 112 Ų | 112 | 106.8 Ų | 106.8 | 69% | 0.687 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.8 | -32 | -176.7 | -27.2 | 0 | 0 | 0 | 0 | 113.4 | M1 L6 F7 | M1-T3 PolarHBondContact O-N 3.19Å; T3-L6 PolarHBondContact O-N 3.06Å; T3-F7 PolarHBondContact O-N 3.41Å; T3-F7 VanDerWaalsContact O-N 3.08Å |
| 4 | W | 72.2 | Confident | 69.3 | Low | 201 Ų | 201 | 103.1 Ų | 103.1 | 76% | 0.761 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.1 | -32.4 | 177.6 | -72.7 | 97.7 | 0 | 0 | 0 | 112.7 | G2 F7 A8 | G2-W4 VanDerWaalsContact C-N 3.32Å; G2-W4 PolarHBondContact O-N 3.23Å; W4-F7 PolarHBondContact O-N 3.17Å; W4-A8 WeakPolarHBondContact O-CB 3.48Å; W4-A8 PolarHBondContact O-N 3.49Å |
| 5 | I | 72.4 | Confident | 68.5 | Low | 106 Ų | 106 | 106.7 Ų | 106.7 | 54% | 0.544 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.1 | -42.5 | 175.9 | -72.3 | 147.9 | 0 | 0 | 0 | 110.2 | G2 F7 A8 C9 | G2-I5 PolarHBondContact O-N 3.22Å; I5-F7 VanDerWaalsContact C-N 3.33Å; I5-F7 PolarHBondContact O-N 3.08Å; I5-A8 PolarHBondContact O-N 3.13Å; I5-C9 VanDerWaalsContact O-CB 3.23Å; I5-C9 WeakPolarHBondContact O-CB 3.16Å; I5-C9 PolarHBondContact O-N 3.33Å |
| 6 | L | 72.4 | Confident | 67.7 | Low | 118 Ų | 118 | 102.7 Ų | 102.7 | 62% | 0.618 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.7 | -40.7 | 175.7 | -64 | 175.8 | 0 | 0 | 0 | 111.4 | G2 T3 C9 L10 | G2-L6 PolarHBondContact O-N 3.09Å; T3-L6 PolarHBondContact O-N 3.06Å; L6-C9 PolarHBondContact O-N 2.98Å; L6-L10 WeakPolarHBondContact O-CB 3.38Å; L6-L10 PolarHBondContact O-N 3.48Å |
| 7 | F | 74 | Confident | 66.6 | Low | 134 Ų | 134 | 105.5 Ų | 105.5 | 59% | 0.588 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.6 | -45 | 176.2 | -172.3 | -97.8 | 0 | 0 | 0 | 112.4 | T3 W4 I5 C9 L10 L11 | T3-F7 PolarHBondContact O-N 3.41Å; T3-F7 VanDerWaalsContact O-N 3.08Å; W4-F7 PolarHBondContact O-N 3.17Å; I5-F7 VanDerWaalsContact C-N 3.33Å; I5-F7 PolarHBondContact O-N 3.08Å; F7-C9 VanDerWaalsContact C-N 3.3Å; F7-C9 PolarHBondContact O-N 3.33Å; F7-L10 PolarHBondContact O-N 3.11Å; F7-L11 HydrophobicContact CE1-CD2 4.48Å; F7-L11 WeakPolarHBondContact O-CB 3.3Å; F7-L11 PolarHBondContact O-N 3.2Å |
| 8 | A | 74.8 | Confident | 65.9 | Low | 55 Ų | 55 | 104.6 Ų | 104.6 | 46% | 0.455 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.1 | -37.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W4 I5 L11 G12 | W4-A8 WeakPolarHBondContact O-CB 3.48Å; W4-A8 PolarHBondContact O-N 3.49Å; I5-A8 PolarHBondContact O-N 3.13Å; A8-L11 PolarHBondContact O-N 3.37Å; A8-G12 PolarHBondContact O-N 2.81Å |
| 9 | C | 73.4 | Confident | 65.4 | Low | 88 Ų | 88 | 107.4 Ų | 107.4 | 60% | 0.595 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.3 | -42.2 | 176.8 | -160.2 | 0 | 0 | 0 | 0 | 111.6 | I5 L6 F7 G12 A13 | I5-C9 VanDerWaalsContact O-CB 3.23Å; I5-C9 WeakPolarHBondContact O-CB 3.16Å; I5-C9 PolarHBondContact O-N 3.33Å; L6-C9 PolarHBondContact O-N 2.98Å; F7-C9 VanDerWaalsContact C-N 3.3Å; F7-C9 PolarHBondContact O-N 3.33Å; C9-G12 PolarHBondContact O-N 2.73Å; C9-A13 WeakPolarHBondContact O-CB 3.36Å; C9-A13 PolarHBondContact O-N 3.13Å |
| 10 | L | 74.1 | Confident | 64.7 | Low | 131 Ų | 131 | 107.5 Ų | 107.5 | 69% | 0.686 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.5 | -38.1 | 176.8 | -130.5 | 119.3 | 0 | 0 | 0 | 111.8 | L6 F7 A13 A14 | L6-L10 WeakPolarHBondContact O-CB 3.38Å; L6-L10 PolarHBondContact O-N 3.48Å; F7-L10 PolarHBondContact O-N 3.11Å; L10-A13 PolarHBondContact O-N 3.21Å; L10-A14 WeakPolarHBondContact O-CB 3.46Å; L10-A14 PolarHBondContact O-N 3.01Å |
| 11 | L | 77.8 | Confident | 64 | Low | 88 Ų | 88 | 107.8 Ų | 107.8 | 46% | 0.461 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69 | -41.2 | 176.7 | -162.6 | 65.6 | 0 | 0 | 0 | 111.2 | F7 A8 A14 F15 | F7-L11 HydrophobicContact CE1-CD2 4.48Å; F7-L11 WeakPolarHBondContact O-CB 3.3Å; F7-L11 PolarHBondContact O-N 3.2Å; A8-L11 PolarHBondContact O-N 3.37Å; L11-A14 PolarHBondContact O-N 3.19Å; L11-F15 HydrophobicContact CD1-CD2 4.42Å; L11-F15 HydrophobicContact CD1-CE2 4.16Å; L11-F15 HydrophobicContact CG-CD2 4.35Å; L11-F15 HydrophobicContact CG-CE2 4.37Å; L11-F15 WeakPolarHBondContact O-CD2 3.49Å; L11-F15 PolarHBondContact O-N 3.18Å; L11-F15 VanDerWaalsContact O-N 3.12Å |
| 12 | G | 71.3 | Confident | 63.6 | Low | 42 Ų | 42 | 105.7 Ų | 105.7 | 43% | 0.433 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.4 | -42.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A8 C9 A14 F15 A16 | A8-G12 PolarHBondContact O-N 2.81Å; C9-G12 PolarHBondContact O-N 2.73Å; G12-A14 VanDerWaalsContact C-N 3.33Å; G12-A14 PolarHBondContact O-N 2.73Å; G12-F15 PolarHBondContact O-N 3.01Å; G12-A16 WeakPolarHBondContact O-CB 3.25Å; G12-A16 PolarHBondContact O-N 2.87Å |
| 13 | A | 64.9 | Low | 63.3 | Low | 67 Ų | 67 | 109.8 Ų | 109.8 | 55% | 0.554 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.3 | -31.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C9 L10 | C9-A13 WeakPolarHBondContact O-CB 3.36Å; C9-A13 PolarHBondContact O-N 3.13Å; L10-A13 PolarHBondContact O-N 3.21Å |
| 14 | A | 59.7 | Low | 62.7 | Low | 56 Ų | 56 | 108 Ų | 108 | 46% | 0.463 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -73.7 | -33.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L10 L11 G12 | L10-A14 WeakPolarHBondContact O-CB 3.46Å; L10-A14 PolarHBondContact O-N 3.01Å; L11-A14 PolarHBondContact O-N 3.19Å; G12-A14 VanDerWaalsContact C-N 3.33Å; G12-A14 PolarHBondContact O-N 2.73Å |
| 15 | F | 57.4 | Low | 61.6 | Low | 157 Ų | 157 | 102.5 Ų | 102.5 | 69% | 0.689 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -79.5 | -22.6 | 173 | -85.4 | -86 | 0 | 0 | 0 | 113 | L11 G12 M17 | L11-F15 HydrophobicContact CD1-CD2 4.42Å; L11-F15 HydrophobicContact CD1-CE2 4.16Å; L11-F15 HydrophobicContact CG-CD2 4.35Å; L11-F15 HydrophobicContact CG-CE2 4.37Å; L11-F15 WeakPolarHBondContact O-CD2 3.49Å; L11-F15 PolarHBondContact O-N 3.18Å; L11-F15 VanDerWaalsContact O-N 3.12Å; G12-F15 PolarHBondContact O-N 3.01Å; F15-M17 PolarHBondContact O-N 3.33Å; F15-M17 VanDerWaalsContact O-N 3.16Å |
| 16 | A | 54.6 | Low | 60.6 | Low | 42 Ų | 42 | 102.1 Ų | 102.1 | 35% | 0.347 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76 | 16.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G12 P18 | G12-A16 WeakPolarHBondContact O-CB 3.25Å; G12-A16 PolarHBondContact O-N 2.87Å; A16-P18 WeakPolarHBondContact O-CD 3.2Å |
| 17 | M | 49.5 | Very low | 59.7 | Low | 150 Ų | 150 | 100 Ų | 100 | 74% | 0.739 | 63% | 0.628 | S | S | * | * | | | trans | -66.3 | 113.4 | 162.5 | -100.4 | -158.8 | -93.7 | 0 | 0 | 107.5 | F15 L19 | F15-M17 PolarHBondContact O-N 3.33Å; F15-M17 VanDerWaalsContact O-N 3.16Å; M17-L19 PolarHBondContact O-N 3.23Å; M17-L19 VanDerWaalsContact O-N 3.1Å |
| 18 | P | 54.3 | Low | 58.5 | Low | 90 Ų | 90 | 103.5 Ų | 103.5 | 58% | 0.584 | 64% | 0.639 | S | S | * | * | | | trans | -62.8 | 123.3 | 175 | 27.9 | -30.4 | 0 | 0 | 0 | 106.3 | A16 I29 | A16-P18 WeakPolarHBondContact O-CD 3.2Å; P18-I29 HydrophobicContact CB-CG2 4.38Å |
| 19 | L | 56 | Low | 57.6 | Low | 158 Ų | 158 | 104.8 Ų | 104.8 | 83% | 0.827 | 64% | 0.638 | S | S | * | * | | | trans | -42.3 | 137.4 | 162 | -84.7 | 144.6 | 0 | 0 | 0 | 107.9 | M17 | M17-L19 PolarHBondContact O-N 3.23Å; M17-L19 VanDerWaalsContact O-N 3.1Å |
| 20 | P | 50.4 | Low | 56.4 | Low | 109 Ų | 109 | 105.4 Ų | 105.4 | 71% | 0.708 | 64% | 0.635 | S | S | * | * | | | trans | -50 | 131.2 | -177.5 | 20.4 | -31.6 | 0 | 0 | 0 | 108.3 | H22 | P20-H22 PolarHBondContact O-N 3.2Š|
| 21 | P | 51.8 | Low | 55.4 | Low | 114 Ų | 114 | 104.3 Ų | 104.3 | 74% | 0.74 | 63% | 0.629 | S | S | * | * | | | trans | -55.9 | 115.4 | -172.2 | 21.2 | -31.7 | 0 | 0 | 0 | 108.2 | | |
| 22 | H | 48.2 | Very low | 54.1 | Low | 155 Ų | 155 | 103.7 Ų | 103.7 | 72% | 0.718 | 63% | 0.633 | S | S | * | * | | | trans | -60.6 | 133.6 | 171.2 | -157.6 | -67.1 | 0 | 0 | 0 | 106.4 | P20 G24 S25 | P20-H22 PolarHBondContact O-N 3.2Å; H22-G24 PolarHBondContact O-N 3.06Å; H22-S25 PolarHBondContact O-N 2.68Å |
| 23 | P | 53 | Low | 53 | Low | 133 Ų | 133 | 110 Ų | 110 | 86% | 0.864 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 41.6 | -170.2 | 26.4 | -36.2 | 0 | 0 | 0 | 114.7 | | |
| 24 | G | 54.8 | Low | 52.6 | Low | 73 Ų | 73 | 111 Ų | 111 | 75% | 0.753 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -164.4 | 12.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | H22 | H22-G24 PolarHBondContact O-N 3.06Š|
| 25 | S | 48.9 | Very low | 52.5 | Low | 87 Ų | 87 | 112.2 Ų | 112.2 | 61% | 0.608 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -140.7 | 128.3 | 173.7 | -151.3 | 0 | 0 | 0 | 0 | 111 | H22 G27 | H22-S25 PolarHBondContact O-N 2.68Å; S25-G27 PolarHBondContact O-N 3.46Å |
| 26 | P | 51.5 | Low | 52.6 | Low | 98 Ų | 98 | 109.7 Ų | 109.7 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | | | trans | -62.9 | 123.5 | 173.9 | 26.2 | -30.5 | 0 | 0 | 0 | 108 | Y28 | P26-Y28 HydrophobicContact CB-CD2 4.28Å; P26-Y28 HydrophobicContact CB-CE2 4.21Å; P26-Y28 HydrophobicContact CG-CD2 4.37Å; P26-Y28 HydrophobicContact CG-CE2 4.42Å; P26-Y28 PolarHBondContact O-N 3.44Å |
| 27 | G | 53.7 | Low | 53 | Low | 73 Ų | 73 | 112.1 Ų | 112.1 | 75% | 0.753 | 64% | 0.643 | S | S | * | * | | | trans | -63.6 | 70.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S25 I29 | S25-G27 PolarHBondContact O-N 3.46Å; G27-I29 PolarHBondContact O-N 3.26Å |
| 28 | Y | 48.3 | Very low | 53.4 | Low | 207 Ų | 207 | 108.2 Ų | 108.2 | 81% | 0.812 | 63% | 0.629 | S | S | * | * | | | trans | -86.8 | 85 | 161.7 | -70.9 | -81.5 | 0 | 0 | 0 | 107.7 | P26 N30 | P26-Y28 HydrophobicContact CB-CD2 4.28Å; P26-Y28 HydrophobicContact CB-CE2 4.21Å; P26-Y28 HydrophobicContact CG-CD2 4.37Å; P26-Y28 HydrophobicContact CG-CE2 4.42Å; P26-Y28 PolarHBondContact O-N 3.44Å; Y28-N30 PolarHBondContact O-N 3.16Å |
| 29 | I | 56.1 | Low | 54.1 | Low | 82 Ų | 82 | 108 Ų | 108 | 42% | 0.421 | 62% | 0.622 | S | S | . | * | | | trans | -55.1 | 124.7 | 155.6 | 52.1 | 166 | 0 | 0 | 0 | 106.6 | P18 G27 L31 | P18-I29 HydrophobicContact CB-CG2 4.38Å; G27-I29 PolarHBondContact O-N 3.26Å; I29-L31 HydrophobicContact CD1-CD1 4.49Å; I29-L31 HydrophobicContact CD1-CG 4.26Å; I29-L31 HydrophobicContact CG1-CD1 4.29Å; I29-L31 HydrophobicContact CG1-CG 4.3Å; I29-L31 PolarHBondContact O-N 3.14Å |
| 30 | N | 47.7 | Very low | 54.4 | Low | 101 Ų | 101 | 106.6 Ų | 106.6 | 54% | 0.54 | 61% | 0.61 | S | S | . | * | | | trans | -74.5 | 75.6 | -177.4 | -141 | -51.7 | 0 | 0 | 0 | 107.5 | Y28 S32 Y33 E34 | Y28-N30 PolarHBondContact O-N 3.16Å; N30-S32 PolarHBondContact O-N 3.47Å; N30-Y33 PolarHBondContact O-N 2.88Å; N30-E34 PolarHBondContact O-N 3.24Å |
| 31 | L | 54.5 | Low | 55.2 | Low | 109 Ų | 109 | 108.7 Ų | 108.7 | 57% | 0.571 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -49.5 | -28 | 177.3 | -80.2 | 134.5 | 0 | 0 | 0 | 111.1 | I29 Y33 V35 | I29-L31 HydrophobicContact CD1-CD1 4.49Å; I29-L31 HydrophobicContact CD1-CG 4.26Å; I29-L31 HydrophobicContact CG1-CD1 4.29Å; I29-L31 HydrophobicContact CG1-CG 4.3Å; I29-L31 PolarHBondContact O-N 3.14Å; L31-Y33 PolarHBondContact O-N 2.7Å; L31-V35 WeakPolarHBondContact O-CB 3.23Å; L31-V35 VanDerWaalsContact O-CG2 3.26Å; L31-V35 WeakPolarHBondContact O-CG2 3.28Å; L31-V35 PolarHBondContact O-N 2.81Å |
| 32 | S | 49.1 | Very low | 55.9 | Low | 75 Ų | 75 | 109.1 Ų | 109.1 | 52% | 0.524 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.1 | -39.8 | 174.7 | -52.4 | 0 | 0 | 0 | 0 | 113.3 | N30 L36 | N30-S32 PolarHBondContact O-N 3.47Å; S32-L36 VanDerWaalsContact O-CB 3.25Å; S32-L36 WeakPolarHBondContact O-CB 3.49Å; S32-L36 WeakPolarHBondContact O-CD1 3.34Å; S32-L36 PolarHBondContact O-N 3.34Å |
| 33 | Y | 49.3 | Very low | 56.6 | Low | 175 Ų | 175 | 105.6 Ų | 105.6 | 69% | 0.686 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -81 | -38.1 | 178 | -89.9 | -86.8 | 0 | 0 | 0 | 112.7 | N30 L31 V35 T37 | N30-Y33 PolarHBondContact O-N 2.88Å; L31-Y33 PolarHBondContact O-N 2.7Å; Y33-V35 VanDerWaalsContact C-N 3.35Å; Y33-V35 PolarHBondContact O-N 2.94Å; Y33-T37 PolarHBondContact O-N 3.49Å; Y33-T37 PolarHBondContact O-OG1 3.42Å |
| 34 | E | 55.8 | Low | 57.3 | Low | 86 Ų | 86 | 103.5 Ų | 103.5 | 40% | 0.402 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71.1 | -26.1 | 179.6 | -83.4 | -154.6 | 133.5 | 0 | 0 | 113.7 | N30 P38 | N30-E34 PolarHBondContact O-N 3.24Å; E34-P38 WeakPolarHBondContact O-CD 3.41Å; E34-P38 WeakPolarHBondContact O-CG 2.85Å |
| 35 | V | 57.8 | Low | 57.8 | Low | 82 Ų | 82 | 104 Ų | 104 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -92.1 | -35.8 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | L31 Y33 T37 P38 L39 | L31-V35 WeakPolarHBondContact O-CB 3.23Å; L31-V35 VanDerWaalsContact O-CG2 3.26Å; L31-V35 WeakPolarHBondContact O-CG2 3.28Å; L31-V35 PolarHBondContact O-N 2.81Å; Y33-V35 VanDerWaalsContact C-N 3.35Å; Y33-V35 PolarHBondContact O-N 2.94Å; V35-T37 VanDerWaalsContact C-N 3.32Å; V35-T37 PolarHBondContact O-N 2.92Å; V35-P38 WeakPolarHBondContact O-CD 3.03Å; V35-L39 WeakPolarHBondContact O-CB 3.37Å; V35-L39 PolarHBondContact O-N 3.45Å |
| 36 | L | 59.5 | Low | 58.5 | Low | 104 Ų | 104 | 104.3 Ų | 104.3 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 179.1 | -100 | 72.5 | 0 | 0 | 0 | 112.3 | S32 K40 | S32-L36 VanDerWaalsContact O-CB 3.25Å; S32-L36 WeakPolarHBondContact O-CB 3.49Å; S32-L36 WeakPolarHBondContact O-CD1 3.34Å; S32-L36 PolarHBondContact O-N 3.34Å; L36-K40 VanDerWaalsContact O-CB 3.23Å; L36-K40 WeakPolarHBondContact O-CB 3.44Å; L36-K40 WeakPolarHBondContact O-CG 3.16Å; L36-K40 PolarHBondContact O-N 3.23Å |
| 37 | T | 62.4 | Low | 58.8 | Low | 93 Ų | 93 | 108.8 Ų | 108.8 | 57% | 0.571 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.6 | -55.2 | -177.7 | -53.8 | 0 | 0 | 0 | 0 | 112.6 | Y33 V35 K40 W41 | Y33-T37 PolarHBondContact O-N 3.49Å; Y33-T37 PolarHBondContact O-OG1 3.42Å; V35-T37 VanDerWaalsContact C-N 3.32Å; V35-T37 PolarHBondContact O-N 2.92Å; T37-K40 PolarHBondContact O-N 3.1Å; T37-W41 WeakPolarHBondContact O-CB 3.25Å; T37-W41 PolarHBondContact O-N 2.95Å |
| 38 | P | 58.8 | Low | 58.4 | Low | 69 Ų | 69 | 112 Ų | 112 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.5 | -30.3 | 176.1 | 26 | -32 | 0 | 0 | 0 | 112.4 | E34 V35 W41 Y42 | E34-P38 WeakPolarHBondContact O-CD 3.41Å; E34-P38 WeakPolarHBondContact O-CG 2.85Å; V35-P38 WeakPolarHBondContact O-CD 3.03Å; P38-W41 PolarHBondContact O-N 2.89Å; P38-Y42 WeakPolarHBondContact O-CB 3.27Å; P38-Y42 PolarHBondContact O-N 2.95Å |
| 39 | L | 67.9 | Low | 58.6 | Low | 86 Ų | 86 | 107.6 Ų | 107.6 | 45% | 0.45 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 175.2 | -176.5 | 63.5 | 0 | 0 | 0 | 111.5 | V35 Y42 Q43 | V35-L39 WeakPolarHBondContact O-CB 3.37Å; V35-L39 PolarHBondContact O-N 3.45Å; L39-Y42 PolarHBondContact O-N 2.85Å; L39-Q43 WeakPolarHBondContact O-CB 3.26Å; L39-Q43 VanDerWaalsContact O-CG 3.28Å; L39-Q43 WeakPolarHBondContact O-CG 3.37Å; L39-Q43 PolarHBondContact O-N 3.11Å |
| 40 | K | 63 | Low | 57.8 | Low | 128 Ų | 128 | 113 Ų | 113 | 56% | 0.557 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.9 | -41.2 | 174.6 | -76.7 | -73.1 | 149.2 | -162.6 | 0 | 111.8 | L36 T37 Q43 S44 | L36-K40 VanDerWaalsContact O-CB 3.23Å; L36-K40 WeakPolarHBondContact O-CB 3.44Å; L36-K40 WeakPolarHBondContact O-CG 3.16Å; L36-K40 PolarHBondContact O-N 3.23Å; T37-K40 PolarHBondContact O-N 3.1Å; K40-Q43 PolarHBondContact O-N 3.01Å; K40-S44 WeakPolarHBondContact O-CB 3.15Å; K40-S44 PolarHBondContact O-N 3.46Å |
| 41 | W | 68 | Low | 57.8 | Low | 153 Ų | 153 | 113.1 Ų | 113.1 | 58% | 0.58 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.3 | -42.9 | 174.9 | -177.5 | 80.5 | 0 | 0 | 0 | 112.3 | T37 P38 S44 M45 | T37-W41 WeakPolarHBondContact O-CB 3.25Å; T37-W41 PolarHBondContact O-N 2.95Å; P38-W41 PolarHBondContact O-N 2.89Å; W41-S44 CarbonylContact O-C 3.56Å; W41-S44 WeakPolarHBondContact O-CA 3.1Å; W41-S44 VanDerWaalsContact O-CB 3.3Å; W41-S44 WeakPolarHBondContact O-CB 3.49Å; W41-S44 PolarHBondContact O-N 3.07Å; W41-S44 VanDerWaalsContact O-N 3.1Å; W41-M45 HydrophobicContact CD2-CE 4.18Å; W41-M45 HydrophobicContact CD2-CG 4.28Å; W41-M45 HydrophobicContact CD2-SD 4.28Å; W41-M45 HydrophobicContact CE3-CE 3.58Å; W41-M45 HydrophobicContact CE3-SD 4.24Å; W41-M45 HydrophobicContact CH2-CE 3.12Å; W41-M45 HydrophobicContact CH2-CG 4.45Å; W41-M45 HydrophobicContact CH2-SD 3.27Å; W41-M45 WeakPolarHBondContact CH2-SD 3.39Å; W41-M45 HydrophobicContact CZ2-CE 3.75Å; W41-M45 HydrophobicContact CZ2-CG 4.13Å; W41-M45 HydrophobicContact CZ2-SD 3.25Å; W41-M45 WeakPolarHBondContact CZ2-SD 3.38Å; W41-M45 HydrophobicContact CZ3-CE 3.02Å; W41-M45 HydrophobicContact CZ3-SD 3.8Å; W41-M45 PolarHBondContact O-N 3.34Å |
| 42 | Y | 66.9 | Low | 57.6 | Low | 122 Ų | 122 | 113.6 Ų | 113.6 | 48% | 0.478 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.8 | -43.8 | 175.7 | -176.7 | -104.2 | 0 | 0 | 0 | 111.4 | P38 L39 S44 M45 I46 | P38-Y42 WeakPolarHBondContact O-CB 3.27Å; P38-Y42 PolarHBondContact O-N 2.95Å; L39-Y42 PolarHBondContact O-N 2.85Å; Y42-S44 PolarHBondContact O-N 3.42Å; Y42-M45 HydrophobicContact CD2-CE 4.48Å; Y42-M45 PolarHBondContact O-N 3.28Å; Y42-M45 VanDerWaalsContact O-N 3.07Å; Y42-I46 HydrophobicContact CD1-CD1 4.1Å; Y42-I46 HydrophobicContact CD1-CG2 4.13Å; Y42-I46 HydrophobicContact CD2-CG2 4.22Å; Y42-I46 HydrophobicContact CE1-CD1 3.9Å; Y42-I46 HydrophobicContact CE1-CG2 3.68Å; Y42-I46 HydrophobicContact CE2-CG2 3.77Å; Y42-I46 HydrophobicContact CG-CG2 4.38Å; Y42-I46 VanDerWaalsContact CZ-CG2 3.48Å; Y42-I46 WeakPolarHBondContact O-CG1 3.21Å; Y42-I46 WeakPolarHBondContact O-CG2 3.41Å; Y42-I46 PolarHBondContact O-N 2.81Å |
| 43 | Q | 62.6 | Low | 57.6 | Low | 82 Ų | 82 | 120.4 Ų | 120.4 | 38% | 0.383 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -56.4 | -39.7 | 170.9 | -79.9 | -175.3 | -34.1 | 0 | 0 | 111.9 | L39 K40 M45 R47 | L39-Q43 WeakPolarHBondContact O-CB 3.26Å; L39-Q43 VanDerWaalsContact O-CG 3.28Å; L39-Q43 WeakPolarHBondContact O-CG 3.37Å; L39-Q43 PolarHBondContact O-N 3.11Å; K40-Q43 PolarHBondContact O-N 3.01Å; Q43-M45 VanDerWaalsContact C-N 3.35Å; Q43-R47 WeakPolarHBondContact O-CB 3.32Å; Q43-R47 WeakPolarHBondContact O-CG 3.35Å; Q43-R47 PolarHBondContact O-N 2.87Å; Q43-R47 VanDerWaalsContact O-N 3.11Å |
| 44 | S | 66.2 | Low | 57.6 | Low | 88 Ų | 88 | 115.7 Ų | 115.7 | 62% | 0.615 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68 | -32.1 | 175.9 | -168.2 | 0 | 0 | 0 | 0 | 113 | K40 W41 Y42 | K40-S44 WeakPolarHBondContact O-CB 3.15Å; K40-S44 PolarHBondContact O-N 3.46Å; W41-S44 CarbonylContact O-C 3.56Å; W41-S44 WeakPolarHBondContact O-CA 3.1Å; W41-S44 VanDerWaalsContact O-CB 3.3Å; W41-S44 WeakPolarHBondContact O-CB 3.49Å; W41-S44 PolarHBondContact O-N 3.07Å; W41-S44 VanDerWaalsContact O-N 3.1Å; Y42-S44 PolarHBondContact O-N 3.42Å |
| 45 | M | 65.8 | Low | 57.2 | Low | 84 Ų | 84 | 120.5 Ų | 120.5 | 41% | 0.414 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -82.2 | -37.1 | 178.9 | -73.9 | -153.9 | -53.7 | 0 | 0 | 113.9 | W41 Y42 Q43 R47 | W41-M45 HydrophobicContact CD2-CE 4.18Å; W41-M45 HydrophobicContact CD2-CG 4.28Å; W41-M45 HydrophobicContact CD2-SD 4.28Å; W41-M45 HydrophobicContact CE3-CE 3.58Å; W41-M45 HydrophobicContact CE3-SD 4.24Å; W41-M45 HydrophobicContact CH2-CE 3.12Å; W41-M45 HydrophobicContact CH2-CG 4.45Å; W41-M45 HydrophobicContact CH2-SD 3.27Å; W41-M45 WeakPolarHBondContact CH2-SD 3.39Å; W41-M45 HydrophobicContact CZ2-CE 3.75Å; W41-M45 HydrophobicContact CZ2-CG 4.13Å; W41-M45 HydrophobicContact CZ2-SD 3.25Å; W41-M45 WeakPolarHBondContact CZ2-SD 3.38Å; W41-M45 HydrophobicContact CZ3-CE 3.02Å; W41-M45 HydrophobicContact CZ3-SD 3.8Å; W41-M45 PolarHBondContact O-N 3.34Å; Y42-M45 HydrophobicContact CD2-CE 4.48Å; Y42-M45 PolarHBondContact O-N 3.28Å; Y42-M45 VanDerWaalsContact O-N 3.07Å; Q43-M45 VanDerWaalsContact C-N 3.35Å; M45-R47 VanDerWaalsContact C-N 3.28Å |
| 46 | I | 63.4 | Low | 57.4 | Low | 94 Ų | 94 | 124.5 Ų | 124.5 | 48% | 0.482 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -75.9 | -21.4 | 176.4 | 68.4 | -177.5 | 0 | 0 | 0 | 111.9 | Y42 Q48 | Y42-I46 HydrophobicContact CD1-CD1 4.1Å; Y42-I46 HydrophobicContact CD1-CG2 4.13Å; Y42-I46 HydrophobicContact CD2-CG2 4.22Å; Y42-I46 HydrophobicContact CE1-CD1 3.9Å; Y42-I46 HydrophobicContact CE1-CG2 3.68Å; Y42-I46 HydrophobicContact CE2-CG2 3.77Å; Y42-I46 HydrophobicContact CG-CG2 4.38Å; Y42-I46 VanDerWaalsContact CZ-CG2 3.48Å; Y42-I46 WeakPolarHBondContact O-CG1 3.21Å; Y42-I46 WeakPolarHBondContact O-CG2 3.41Å; Y42-I46 PolarHBondContact O-N 2.81Å; I46-Q48 PolarHBondContact O-N 3.48Å |
| 47 | R | 58 | Low | 57.5 | Low | 192 Ų | 192 | 124 Ų | 124 | 73% | 0.725 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -76.8 | 72.4 | 160.9 | -71.6 | -161 | 168.2 | -86.1 | -3.9 | 108.6 | Q43 M45 | Q43-R47 WeakPolarHBondContact O-CB 3.32Å; Q43-R47 WeakPolarHBondContact O-CG 3.35Å; Q43-R47 PolarHBondContact O-N 2.87Å; Q43-R47 VanDerWaalsContact O-N 3.11Å; M45-R47 VanDerWaalsContact C-N 3.28Å |
| 48 | Q | 44.8 | Very low | 57.4 | Low | 140 Ų | 140 | 126.1 Ų | 126.1 | 65% | 0.654 | 63% | 0.63 | S | S | * | * | | | trans | -41.2 | 137.6 | 153.1 | -67 | -70.6 | -47 | 0 | 0 | 107.9 | I46 Y50 | I46-Q48 PolarHBondContact O-N 3.48Å; Q48-Y50 VanDerWaalsContact C-N 3.31Å; Q48-Y50 PolarHBondContact O-N 3.3Å |
| 49 | P | 53.5 | Low | 57.3 | Low | 114 Ų | 114 | 125.1 Ų | 125.1 | 74% | 0.74 | 63% | 0.632 | S | S | * | * | | | trans | -58.5 | 105.6 | 167.5 | 25.6 | -30.1 | 0 | 0 | 0 | 105.2 | P51 | P49-P51 WeakPolarHBondContact O-CD 3.23Š|
| 50 | Y | 39.5 | Very low | 56.7 | Low | 197 Ų | 197 | 123.8 Ų | 123.8 | 77% | 0.773 | 64% | 0.639 | S | S | * | * | | | trans | -52.1 | 119.5 | 169 | -105.9 | -98.7 | 0 | 0 | 0 | 104.9 | Q48 S52 | Q48-Y50 VanDerWaalsContact C-N 3.31Å; Q48-Y50 PolarHBondContact O-N 3.3Å; Y50-S52 VanDerWaalsContact C-N 3.35Å; Y50-S52 PolarHBondContact O-N 3.41Å |
| 51 | P | 47.4 | Very low | 56.1 | Low | 103 Ų | 103 | 128.4 Ų | 128.4 | 67% | 0.669 | 65% | 0.653 | S | S | * | * | | | trans | -54.8 | 113.1 | 163.5 | -17.9 | 31 | 0 | 0 | 0 | 104.4 | P49 Y53 | P49-P51 WeakPolarHBondContact O-CD 3.23Å; P51-Y53 HydrophobicContact CB-CD2 4.42Å; P51-Y53 PolarHBondContact O-N 3.43Å |
| 52 | S | 49.8 | Very low | 55.4 | Low | 119 Ų | 119 | 129 Ų | 129 | 83% | 0.832 | 67% | 0.667 | S | S | * | * | | | trans | -66.4 | 76 | -179.8 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | Y50 G54 | Y50-S52 VanDerWaalsContact C-N 3.35Å; Y50-S52 PolarHBondContact O-N 3.41Å; S52-G54 PolarHBondContact O-N 2.75Å; S52-G54 VanDerWaalsContact O-N 3.16Å |
| 53 | Y | 48.7 | Very low | 54.6 | Low | 218 Ų | 218 | 130.1 Ų | 130.1 | 86% | 0.855 | 68% | 0.676 | S | S | * | * | | | trans | -82.6 | 79.2 | 163.8 | -99.9 | -84.8 | 0 | 0 | 0 | 106.8 | P51 Y55 | P51-Y53 HydrophobicContact CB-CD2 4.42Å; P51-Y53 PolarHBondContact O-N 3.43Å; Y53-Y55 VanDerWaalsContact C-N 3.31Å; Y53-Y55 PolarHBondContact O-N 3.5Å |
| 54 | G | 49.3 | Very low | 53.9 | Low | 76 Ų | 76 | 133.3 Ų | 133.3 | 78% | 0.784 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 61.5 | 18.8 | 146.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | S52 E56 | S52-G54 PolarHBondContact O-N 2.75Å; S52-G54 VanDerWaalsContact O-N 3.16Å; G54-E56 PolarHBondContact O-N 3.38Å |
| 55 | Y | 47.5 | Very low | 52.9 | Low | 187 Ų | 187 | 138 Ų | 138 | 73% | 0.733 | 70% | 0.703 | S | S | * | * | | | trans | -97.3 | 84 | 170.5 | -154.9 | -94.1 | 0 | 0 | 0 | 109.8 | Y53 | Y53-Y55 VanDerWaalsContact C-N 3.31Å; Y53-Y55 PolarHBondContact O-N 3.5Å |
| 56 | E | 62.1 | Low | 52.1 | Low | 165 Ų | 165 | 139.8 Ų | 139.8 | 77% | 0.771 | 71% | 0.713 | S | S | * | * | | | trans | -51.4 | 123.8 | 158.1 | -95.7 | -85.1 | 91.5 | 0 | 0 | 107.6 | G54 M58 | G54-E56 PolarHBondContact O-N 3.38Å; E56-M58 PolarHBondContact O-N 3Å; E56-M58 VanDerWaalsContact O-N 3.14Å |
| 57 | P | 61.9 | Low | 51.5 | Low | 95 Ų | 95 | 141.8 Ų | 141.8 | 62% | 0.617 | 72% | 0.723 | S | S | * | * | | | trans | -61.4 | 124.5 | 170.3 | 26.1 | -30.1 | 0 | 0 | 0 | 106.6 | G59 | P57-G59 PolarHBondContact O-N 3.4Š|
| 58 | M | 59.8 | Low | 50.8 | Low | 137 Ų | 137 | 138.3 Ų | 138.3 | 68% | 0.675 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -67.2 | 38.3 | 173.4 | -143.4 | 107.5 | 77.4 | 0 | 0 | 111.8 | E56 G60 | E56-M58 PolarHBondContact O-N 3Å; E56-M58 VanDerWaalsContact O-N 3.14Å; M58-G60 PolarHBondContact O-N 3.48Å |
| 59 | G | 56.6 | Low | 51 | Low | 47 Ų | 47 | 137.1 Ų | 137.1 | 49% | 0.485 | 73% | 0.728 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.6 | -1.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P57 W61 | P57-G59 PolarHBondContact O-N 3.4Å; G59-W61 VanDerWaalsContact C-N 3.31Å; G59-W61 PolarHBondContact O-N 2.88Å |
| 60 | G | 55.3 | Low | 50.7 | Low | 58 Ų | 58 | 138.9 Ų | 138.9 | 60% | 0.598 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -19 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | M58 | M58-G60 PolarHBondContact O-N 3.48Š|
| 61 | W | 50.8 | Low | 50.9 | Low | 225 Ų | 225 | 134.6 Ų | 134.6 | 85% | 0.852 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -92.7 | -20.2 | -176.6 | -63.3 | 99.3 | 0 | 0 | 0 | 114.4 | G59 | G59-W61 VanDerWaalsContact C-N 3.31Å; G59-W61 PolarHBondContact O-N 2.88Å |
| 62 | L | 54.7 | Low | 50.6 | Low | 167 Ų | 167 | 136.8 Ų | 136.8 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -92.7 | -6.7 | -179.2 | -74.8 | 166.8 | 0 | 0 | 0 | 113.5 | | |
| 63 | H | 49.8 | Very low | 50.2 | Low | 144 Ų | 144 | 139.3 Ų | 139.3 | 67% | 0.667 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -97.3 | 7.5 | -174.4 | -151.3 | -83.7 | 0 | 0 | 0 | 115 | | |
| 64 | H | 46.4 | Very low | 49.6 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 69% | 0.69 | 72% | 0.722 | S | S | * | * | | | trans | -117.7 | 8.7 | -173.9 | -106 | 101.8 | 0 | 0 | 0 | 117.6 | I66 | H64-I66 PolarHBondContact O-N 3.24Š|
| 65 | Q | 46.2 | Very low | 49.1 | Very low | 188 Ų | 188 | 138 Ų | 138 | 88% | 0.879 | 72% | 0.72 | S | S | * | * | | | trans | -89.2 | 59.5 | 160.5 | -72.1 | -71.3 | 80.5 | 0 | 0 | 110 | I67 | Q65-I67 PolarHBondContact O-N 2.97Š|
| 66 | I | 49.4 | Very low | 48.7 | Very low | 120 Ų | 120 | 134 Ų | 134 | 62% | 0.615 | 72% | 0.716 | S | S | * | * | | | trans | -76.7 | 101.6 | 161.9 | -65.5 | 164.8 | 0 | 0 | 0 | 105.3 | H64 P68 | H64-I66 PolarHBondContact O-N 3.24Å; I66-P68 WeakPolarHBondContact O-CD 3.37Å |
| 67 | I | 49.3 | Very low | 47.1 | Very low | 136 Ų | 136 | 132 Ų | 132 | 70% | 0.697 | 72% | 0.721 | S | S | * | * | | | trans | -43.6 | 122.4 | 158.6 | -59.6 | 165.3 | 0 | 0 | 0 | 106.1 | Q65 V69 | Q65-I67 PolarHBondContact O-N 2.97Å; I67-V69 PolarHBondContact O-N 3.03Å |
| 68 | P | 44.8 | Very low | 46.3 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | | | trans | -67.4 | 90.2 | 166.2 | 27.4 | -29 | 0 | 0 | 0 | 105.7 | I66 L70 | I66-P68 WeakPolarHBondContact O-CD 3.37Å; P68-L70 PolarHBondContact O-N 3.23Å |
| 69 | V | 47.9 | Very low | 45.5 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 70% | 0.703 | 73% | 0.733 | S | S | * | * | | | trans | -57.9 | 113.8 | 157.1 | 123.1 | 0 | 0 | 0 | 0 | 103.7 | I67 S71 | I67-V69 PolarHBondContact O-N 3.03Å; V69-S71 PolarHBondContact O-N 3.47Å |
| 70 | L | 48.4 | Very low | 44.6 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | | | trans | -48.3 | 91.2 | 166.7 | -164.3 | 82.9 | 0 | 0 | 0 | 106.6 | P68 Q72 | P68-L70 PolarHBondContact O-N 3.23Å; L70-Q72 PolarHBondContact O-N 3.42Å |
| 71 | S | 42.7 | Very low | 43.7 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | trans | -67.4 | 92.1 | 168.8 | -85.2 | 0 | 0 | 0 | 0 | 106.1 | V69 Q73 | V69-S71 PolarHBondContact O-N 3.47Å; S71-Q73 PolarHBondContact O-N 3.27Å |
| 72 | Q | 42 | Very low | 43.2 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | | | trans | 41.1 | 85.2 | 141.9 | -76 | -76.2 | 87.4 | 0 | 0 | 114.3 | L70 H74 | L70-Q72 PolarHBondContact O-N 3.42Å; Q72-H74 PolarHBondContact O-CD2 3.29Å; Q72-H74 PolarHBondContact O-N 3Å |
| 73 | Q | 40.6 | Very low | 42.8 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | | | trans | -47.4 | 99 | 153.6 | -170.8 | 176.8 | -39.2 | 0 | 0 | 110.1 | S71 | S71-Q73 PolarHBondContact O-N 3.27Š|
| 74 | H | 36.5 | Very low | 42.3 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | | | trans | -86.9 | 127.9 | 162.3 | -79.4 | -140.6 | 0 | 0 | 0 | 108.2 | Q72 | Q72-H74 PolarHBondContact O-CD2 3.29Å; Q72-H74 PolarHBondContact O-N 3Å |
| 75 | P | 37.7 | Very low | 42.3 | Very low | 112 Ų | 112 | 141 Ų | 141 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | trans | -72.7 | 139.5 | 175.6 | 27.8 | -31.2 | 0 | 0 | 0 | 110.9 | S77 | P75-S77 PolarHBondContact O-N 3.22Š|
| 76 | P | 39.2 | Very low | 41.9 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | | | trans | -75.6 | 109.8 | 177.3 | 29.9 | -30.5 | 0 | 0 | 0 | 109.4 | H78 | P76-H78 PolarHBondContact O-N 2.76Š|
| 77 | S | 29.8 | Very low | 41.3 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | | | trans | -73.3 | 107.5 | 159.4 | -76.6 | 0 | 0 | 0 | 0 | 108.1 | P75 | P75-S77 PolarHBondContact O-N 3.22Š|
| 78 | H | 44.2 | Very low | 41.1 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | | | trans | -59.6 | 129.6 | 167.5 | -58.7 | -91.1 | 0 | 0 | 0 | 109.8 | P76 | P76-H78 PolarHBondContact O-N 2.76Š|
| 79 | T | 42.5 | Very low | 41.1 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | | | | 170.7 | 139.8 | 127.4 | 33.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 80 | L | 39.3 | Very low | 40.9 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | | | trans | 77.7 | 83.9 | 167.8 | -68.9 | 153.5 | 0 | 0 | 0 | 118.2 | | |
| 81 | Q | 35.2 | Very low | 40.6 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | | | trans | -60.5 | 149.6 | 147.7 | -108.5 | -147.6 | 60.5 | 0 | 0 | 110.9 | | |
| 82 | P | 40.1 | Very low | 40.6 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | | -137.5 | 126.4 | 104.3 | 30.7 | -14.7 | 0 | 0 | 0 | 113.9 | | |
| 83 | H | 46.8 | Very low | 40.6 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | | | trans | 36.5 | 107.6 | 142.5 | -62.8 | 69.5 | 0 | 0 | 0 | 117.8 | | |
| 84 | H | 38.7 | Very low | 40.5 | Very low | 175 Ų | 175 | 139.3 Ų | 139.3 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | | | | -163.3 | 122.1 | 128.3 | -80.7 | -49.9 | 0 | 0 | 0 | 111 | | |
| 85 | H | 46.5 | Very low | 41.3 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | -19.4 | 129.5 | 168.1 | 63.6 | -56.6 | 0 | 0 | 0 | 119.4 | | |
| 86 | L | 38.4 | Very low | 41.9 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | | | trans | -141.1 | 136.2 | 154.4 | -100.1 | 146.9 | 0 | 0 | 0 | 109 | | |
| 87 | P | 37.1 | Very low | 42.1 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | | | trans | -69.1 | 134.5 | -170.3 | -13.3 | 28.2 | 0 | 0 | 0 | 111.9 | V89 | P87-V89 PolarHBondContact O-N 3.25Š|
| 88 | V | 44.7 | Very low | 42.9 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | | | trans | -64.3 | 111.9 | 164.7 | 172.3 | 0 | 0 | 0 | 0 | 108 | | |
| 89 | V | 44.7 | Very low | 43.3 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 71% | 0.709 | 78% | 0.784 | S | S | * | * | | | trans | -97.7 | 128.6 | 163.4 | -168 | 0 | 0 | 0 | 0 | 106.5 | P87 | P87-V89 PolarHBondContact O-N 3.25Š|
| 90 | P | 43.3 | Very low | 43.8 | Very low | 106 Ų | 106 | 141 Ų | 141 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | | | trans | -64.1 | 142.4 | 177.6 | 27.2 | -31.9 | 0 | 0 | 0 | 109.6 | Q92 | P90-Q92 PolarHBondContact O-N 3.37Š|
| 91 | A | 41.7 | Very low | 44.7 | Very low | 99 Ų | 99 | 142 Ų | 142 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -53.5 | 113.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q93 | A91-Q93 PolarHBondContact O-N 3.32Å; A91-Q93 VanDerWaalsContact O-N 3.09Å |
| 92 | Q | 43.3 | Very low | 45.8 | Very low | 179 Ų | 179 | 143.1 Ų | 143.1 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | | | trans | -67.2 | 107.6 | 169.5 | -71.6 | -119.8 | 22.1 | 0 | 0 | 107.7 | P90 | P90-Q92 PolarHBondContact O-N 3.37Š|
| 93 | Q | 43.2 | Very low | 46.7 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -59.5 | 136.4 | 164.8 | -71.6 | -178 | -37.3 | 0 | 0 | 108.5 | A91 V95 | A91-Q93 PolarHBondContact O-N 3.32Å; A91-Q93 VanDerWaalsContact O-N 3.09Å; Q93-V95 PolarHBondContact O-N 3.42Å; Q93-V95 VanDerWaalsContact O-N 3.08Å |
| 94 | P | 38.7 | Very low | 47.3 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | | | trans | -62.6 | 115.3 | 175.1 | -18.3 | 30.3 | 0 | 0 | 0 | 109.7 | A96 | P94-A96 PolarHBondContact O-N 3.41Š|
| 95 | V | 52.4 | Low | 47.7 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 124.4 | 167 | 158.4 | 0 | 0 | 0 | 0 | 108 | Q93 | Q93-V95 PolarHBondContact O-N 3.42Å; Q93-V95 VanDerWaalsContact O-N 3.08Å |
| 96 | A | 49.5 | Very low | 47.6 | Very low | 76 Ų | 76 | 135.9 Ų | 135.9 | 63% | 0.628 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57 | 140.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | P94 Q98 | P94-A96 PolarHBondContact O-N 3.41Å; A96-Q98 PolarHBondContact O-N 2.93Å; A96-Q98 VanDerWaalsContact O-N 3.13Å |
| 97 | P | 43 | Very low | 48 | Very low | 122 Ų | 122 | 137 Ų | 137 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 117.5 | 178.4 | 25.1 | -31.2 | 0 | 0 | 0 | 109.4 | Q99 | P97-Q99 PolarHBondContact O-N 3.1Š|
| 98 | Q | 48.4 | Very low | 48.4 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 117.6 | 173.4 | -73.4 | -161.7 | -11.4 | 0 | 0 | 109.3 | A96 | A96-Q98 PolarHBondContact O-N 2.93Å; A96-Q98 VanDerWaalsContact O-N 3.13Å |
| 99 | Q | 52.2 | Low | 48.2 | Very low | 177 Ų | 177 | 138.4 Ų | 138.4 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 138.6 | 168.1 | -63.4 | -152.7 | -3.2 | 0 | 0 | 109.8 | P97 M101 | P97-Q99 PolarHBondContact O-N 3.1Å; Q99-M101 PolarHBondContact O-N 3.16Å |
| 100 | P | 53 | Low | 48.6 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 122.5 | 175.1 | 25.1 | -28.5 | 0 | 0 | 0 | 110.1 | | |
| 101 | M | 56.7 | Low | 48.7 | Very low | 188 Ų | 188 | 142.3 Ų | 142.3 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 133.5 | 172.2 | -79.5 | -175.2 | 164.2 | 0 | 0 | 110.5 | Q99 | Q99-M101 PolarHBondContact O-N 3.16Š|
| 102 | M | 59.8 | Low | 49 | Very low | 177 Ų | 177 | 143 Ų | 143 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66 | 136.7 | 173.5 | -67.7 | -164.7 | -66.9 | 0 | 0 | 111 | | |
| 103 | P | 58.2 | Low | 49 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 127.7 | 168.8 | 27.6 | -27.5 | 0 | 0 | 0 | 110.6 | | |
| 104 | V | 58.9 | Low | 49 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 129.9 | 171.5 | 170 | 0 | 0 | 0 | 0 | 109.4 | G106 | V104-G106 PolarHBondContact O-N 3.41Å; V104-G106 VanDerWaalsContact O-N 3.13Å |
| 105 | P | 47.1 | Very low | 49.1 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | | | trans | -65.9 | 112.4 | 176 | -22 | 33.7 | 0 | 0 | 0 | 111.9 | | |
| 106 | G | 45.5 | Very low | 48.7 | Very low | 69 Ų | 69 | 144.2 Ų | 144.2 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | | | trans | -76.4 | 129.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V104 | V104-G106 PolarHBondContact O-N 3.41Å; V104-G106 VanDerWaalsContact O-N 3.13Å |
| 107 | H | 46.9 | Very low | 48.3 | Very low | 186 Ų | 186 | 149.1 Ų | 149.1 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | | | trans | -24.8 | 123.9 | 164.2 | -58.9 | -115.9 | 0 | 0 | 0 | 115.9 | | |
| 108 | H | 45.5 | Very low | 48.6 | Very low | 169 Ų | 169 | 148.1 Ų | 148.1 | 78% | 0.782 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 117.6 | 169.5 | 46 | -91.2 | 0 | 0 | 0 | 110.5 | | |
| 109 | S | 40.4 | Very low | 48 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 119.9 | 164.7 | -70.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 110 | M | 52.6 | Low | 47.6 | Very low | 175 Ų | 175 | 143.9 Ų | 143.9 | 86% | 0.862 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 131.1 | 163.2 | -69.1 | -148.7 | -159.3 | 0 | 0 | 109.5 | | |
| 111 | T | 44.9 | Very low | 47.6 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -131.9 | 136.9 | 158.1 | 25.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 112 | P | 48.1 | Very low | 47.1 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -91 | 154.9 | -160.2 | 35.9 | -34.1 | 0 | 0 | 0 | 113.4 | Q114 | P112-Q114 PolarHBondContact O-N 3.12Š|
| 113 | T | 43.5 | Very low | 45.9 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | | | trans | -41.6 | 121.2 | 160.7 | -64.9 | 0 | 0 | 0 | 0 | 112 | | |
| 114 | Q | 44 | Very low | 44.9 | Very low | 159 Ų | 159 | 134.9 Ų | 134.9 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | -121.4 | 101.5 | 164.9 | -84.1 | -77.2 | 94 | 0 | 0 | 110.5 | P112 | P112-Q114 PolarHBondContact O-N 3.12Š|
| 115 | H | 41.2 | Very low | 44.1 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | | | trans | 36.6 | 112 | 140.1 | -67.1 | -90.9 | 0 | 0 | 0 | 120.1 | | |
| 116 | H | 42.6 | Very low | 43.9 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | | | trans | -84.5 | 131.3 | 157.1 | -82.7 | 63.3 | 0 | 0 | 0 | 111.4 | | |
| 117 | Q | 40.9 | Very low | 44 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | | | trans | 168 | 162.3 | 138.1 | -95.6 | -128.5 | -19.8 | 0 | 0 | 110.9 | | |
| 118 | P | 50 | Low | 43.7 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | | | cis | -139.9 | 160.5 | -21.4 | 31.6 | -10 | 0 | 0 | 0 | 116.9 | | |
| 119 | N | 36.4 | Very low | 43.6 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | | | trans | 69.2 | 105.8 | 134.5 | -153.5 | 65 | 0 | 0 | 0 | 123.6 | | |
| 120 | I | 43.2 | Very low | 43.8 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | | | trans | 79.9 | 133.4 | 135.4 | -61.2 | 178.3 | 0 | 0 | 0 | 121.5 | | |
| 121 | P | 53.3 | Low | 43.4 | Very low | 109 Ų | 109 | 142.2 Ų | 142.2 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | | | trans | -90.7 | 170.8 | -175.8 | 41.3 | -38.9 | 0 | 0 | 0 | 113.1 | | |
| 122 | P | 45.8 | Very low | 43.6 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | | | | -158.8 | 172.2 | 94.6 | 41 | -20.4 | 0 | 0 | 0 | 117.4 | | |
| 123 | S | 34.4 | Very low | 43.8 | Very low | 113 Ų | 113 | 148.8 Ų | 148.8 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | trans | 88.1 | 112.9 | 145.4 | -60 | 0 | 0 | 0 | 0 | 122 | | |
| 124 | A | 36.6 | Very low | 44.1 | Very low | 85 Ų | 85 | 148.4 Ų | 148.4 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | | | | 72.1 | 113 | 124.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 125 | Q | 44 | Very low | 44.6 | Very low | 186 Ų | 186 | 149 Ų | 149 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | | | trans | 60.4 | 112.2 | 136.7 | -61.1 | -178 | -36.3 | 0 | 0 | 119 | | |
| 126 | Q | 42.9 | Very low | 45.1 | Very low | 180 Ų | 180 | 147 Ų | 147 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | | | | -152.7 | 138.6 | 128 | -77 | -140.9 | -50.4 | 0 | 0 | 110.9 | | |
| 127 | P | 46.9 | Very low | 45.8 | Very low | 105 Ų | 105 | 145.5 Ų | 145.5 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | | | trans | -113.8 | 86.9 | 179.1 | 37.1 | -23.2 | 0 | 0 | 0 | 111.5 | | |
| 128 | F | 40.3 | Very low | 46.7 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | | | trans | -146.8 | 105 | 168.8 | -75.6 | -74.9 | 0 | 0 | 0 | 113.1 | | |
| 129 | Q | 44.2 | Very low | 46.9 | Very low | 181 Ų | 181 | 143 Ų | 143 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | | | trans | 34.3 | 107.3 | 142.2 | -60.1 | -74.1 | 14.3 | 0 | 0 | 118.6 | | |
| 130 | Q | 44.2 | Very low | 47.8 | Very low | 170 Ų | 170 | 144.1 Ų | 144.1 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | | | trans | -126.9 | 136.7 | 147.6 | -73.1 | -151.4 | -20.9 | 0 | 0 | 110 | F132 | Q130-F132 PolarHBondContact O-N 2.94Š|
| 131 | P | 44.4 | Very low | 47.9 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | trans | -65.5 | 129.9 | 171.3 | 26.6 | -30.5 | 0 | 0 | 0 | 109.5 | Q133 | P131-Q133 PolarHBondContact O-N 3.32Å; P131-Q133 VanDerWaalsContact O-N 3.17Å |
| 132 | F | 49.1 | Very low | 48.2 | Very low | 207 Ų | 207 | 144.8 Ų | 144.8 | 91% | 0.908 | 78% | 0.783 | S | S | * | * | | | trans | -45.8 | 114.8 | -177.6 | -68.3 | -94.4 | 0 | 0 | 0 | 112.5 | Q130 | Q130-F132 PolarHBondContact O-N 2.94Š|
| 133 | Q | 52.1 | Low | 49.1 | Very low | 173 Ų | 173 | 146.9 Ų | 146.9 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 136.2 | 153.8 | -65.2 | -146.3 | -51.5 | 0 | 0 | 108.1 | P131 Q135 | P131-Q133 PolarHBondContact O-N 3.32Å; P131-Q133 VanDerWaalsContact O-N 3.17Å; Q133-Q135 PolarHBondContact O-N 3.45Å; Q133-Q135 VanDerWaalsContact O-N 3.11Å |
| 134 | P | 49.2 | Very low | 50.3 | Low | 125 Ų | 125 | 146.9 Ų | 146.9 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 117.3 | 172.3 | 23.6 | -29.5 | 0 | 0 | 0 | 108.5 | | |
| 135 | Q | 55.3 | Low | 51.4 | Low | 173 Ų | 173 | 151.8 Ų | 151.8 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 135.4 | 171.1 | -78.1 | -162.4 | 2.3 | 0 | 0 | 109.1 | Q133 I137 | Q133-Q135 PolarHBondContact O-N 3.45Å; Q133-Q135 VanDerWaalsContact O-N 3.11Å; Q135-I137 PolarHBondContact O-N 2.93Å |
| 136 | P | 51.2 | Low | 52.5 | Low | 117 Ų | 117 | 151.4 Ų | 151.4 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 121.1 | 167.8 | 24.5 | -29.3 | 0 | 0 | 0 | 108.5 | | |
| 137 | I | 57.7 | Low | 53.4 | Low | 156 Ų | 156 | 148.5 Ų | 148.5 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 124.3 | 170.4 | -63.4 | 137.5 | 0 | 0 | 0 | 107.1 | Q135 | Q135-I137 PolarHBondContact O-N 2.93Š|
| 138 | P | 59 | Low | 54.2 | Low | 104 Ų | 104 | 152.6 Ų | 152.6 | 68% | 0.675 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 134.4 | 175.4 | 24.1 | -31.1 | 0 | 0 | 0 | 108.5 | Q140 | P138-Q140 PolarHBondContact O-N 3.49Š|
| 139 | P | 54.6 | Low | 55 | Low | 125 Ų | 125 | 149 Ų | 149 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60 | 126.7 | 176 | 24 | -31.1 | 0 | 0 | 0 | 108.4 | S141 | P139-S141 PolarHBondContact O-N 3.4Š|
| 140 | Q | 55.1 | Low | 55.8 | Low | 160 Ų | 160 | 146.1 Ų | 146.1 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 116.5 | 168.6 | -90.4 | -168.3 | -29.8 | 0 | 0 | 108 | P138 H142 | P138-Q140 PolarHBondContact O-N 3.49Å; Q140-H142 VanDerWaalsContact C-N 3.29Å; Q140-H142 PolarHBondContact O-N 2.94Å; Q140-H142 PolarHBondContact O-ND1 3.33Å |
| 141 | S | 46.6 | Very low | 56.8 | Low | 100 Ų | 100 | 146 Ų | 146 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | | | trans | -65.4 | 92.2 | 170.8 | 53.5 | 0 | 0 | 0 | 0 | 108 | P139 Q143 | P139-S141 PolarHBondContact O-N 3.4Å; S141-Q143 PolarHBondContact O-N 3.44Å |
| 142 | H | 58.1 | Low | 57.7 | Low | 163 Ų | 163 | 148.5 Ų | 148.5 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -62.7 | 108.5 | 164.9 | -65.2 | 98.2 | 0 | 0 | 0 | 106.7 | Q140 | Q140-H142 VanDerWaalsContact C-N 3.29Å; Q140-H142 PolarHBondContact O-N 2.94Å; Q140-H142 PolarHBondContact O-ND1 3.33Å |
| 143 | Q | 64.6 | Low | 58.4 | Low | 160 Ų | 160 | 144.7 Ų | 144.7 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 134 | 168.3 | -71.5 | -73.6 | -40.5 | 0 | 0 | 107.9 | S141 M145 | S141-Q143 PolarHBondContact O-N 3.44Å; Q143-M145 PolarHBondContact O-N 3.08Å |
| 144 | P | 59.5 | Low | 59 | Low | 113 Ų | 113 | 144.9 Ų | 144.9 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 122.3 | 173.7 | 24.9 | -30.1 | 0 | 0 | 0 | 108.7 | Q146 | P144-Q146 PolarHBondContact O-N 3.49Š|
| 145 | M | 60.1 | Low | 60 | Low | 188 Ų | 188 | 147.1 Ų | 147.1 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 124.4 | 167.9 | -135.7 | 101.4 | 151.2 | 0 | 0 | 107.5 | Q143 | Q143-M145 PolarHBondContact O-N 3.08Š|
| 146 | Q | 67 | Low | 60.7 | Low | 178 Ų | 178 | 144.7 Ų | 144.7 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 140.2 | 175.5 | -87.6 | -148.4 | -39.9 | 0 | 0 | 110.4 | P144 Q148 | P144-Q146 PolarHBondContact O-N 3.49Å; Q146-Q148 PolarHBondContact O-N 3.46Å |
| 147 | P | 61.8 | Low | 61.6 | Low | 119 Ų | 119 | 146.5 Ų | 146.5 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 128 | 172.5 | 25.1 | -30.3 | 0 | 0 | 0 | 109.5 | S149 | P147-S149 PolarHBondContact O-N 3.47Š|
| 148 | Q | 64.9 | Low | 62.3 | Low | 191 Ų | 191 | 143.1 Ų | 143.1 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 134.1 | 173.6 | -68.7 | -174.3 | -55.8 | 0 | 0 | 109.9 | Q146 | Q146-Q148 PolarHBondContact O-N 3.46Š|
| 149 | S | 57.4 | Low | 62.9 | Low | 105 Ų | 105 | 144.3 Ų | 144.3 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58 | 140.4 | 176 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | P147 L151 | P147-S149 PolarHBondContact O-N 3.47Å; S149-L151 PolarHBondContact O-N 3.34Å |
| 150 | P | 60.9 | Low | 64 | Low | 121 Ų | 121 | 147 Ų | 147 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 123.4 | 179 | 21.1 | -26.5 | 0 | 0 | 0 | 110.4 | H152 | P150-H152 PolarHBondContact O-N 3.15Š|
| 151 | L | 63.4 | Low | 65 | Low | 169 Ų | 169 | 144.6 Ų | 144.6 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 130.9 | 172.5 | -68.2 | 170 | 0 | 0 | 0 | 109 | S149 | S149-L151 PolarHBondContact O-N 3.34Š|
| 152 | H | 64.9 | Low | 66.4 | Low | 172 Ų | 172 | 145.8 Ų | 145.8 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 148.7 | 179.9 | -61.4 | -92.7 | 0 | 0 | 0 | 111.9 | P150 M154 | P150-H152 PolarHBondContact O-N 3.15Å; H152-M154 PolarHBondContact O-N 3.44Å |
| 153 | P | 62.7 | Low | 67.1 | Low | 127 Ų | 127 | 145.9 Ų | 145.9 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 124.1 | 178.1 | 23.7 | -31.3 | 0 | 0 | 0 | 110.6 | Q155 | P153-Q155 PolarHBondContact O-N 2.69Š|
| 154 | M | 65.5 | Low | 67.4 | Low | 176 Ų | 176 | 143.3 Ų | 143.3 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 120.6 | 169.6 | -100 | -84.1 | 170.7 | 0 | 0 | 109.1 | H152 | H152-M154 PolarHBondContact O-N 3.44Š|
| 155 | Q | 70.7 | Confident | 67.9 | Low | 172 Ų | 172 | 143.5 Ų | 143.5 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -66 | 134.1 | 174.7 | -126.9 | 169.7 | -1.8 | 0 | 0 | 109.1 | P153 L157 | P153-Q155 PolarHBondContact O-N 2.69Å; Q155-L157 WeakPolarHBondContact O-CD1 3.45Å; Q155-L157 PolarHBondContact O-N 2.96Å |
| 156 | P | 67.9 | Low | 68.2 | Low | 123 Ų | 123 | 142.7 Ų | 142.7 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 133.8 | 178.8 | 23.7 | -30.2 | 0 | 0 | 0 | 110.6 | | |
| 157 | L | 70.6 | Confident | 67.9 | Low | 154 Ų | 154 | 143.6 Ų | 143.6 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 134.8 | 179.6 | -69.5 | 54.7 | 0 | 0 | 0 | 108.2 | Q155 | Q155-L157 WeakPolarHBondContact O-CD1 3.45Å; Q155-L157 PolarHBondContact O-N 2.96Å |
| 158 | A | 73.6 | Confident | 67.4 | Low | 86 Ų | 86 | 143.7 Ų | 143.7 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 143.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q160 | A158-Q160 PolarHBondContact O-N 2.9Š|
| 159 | P | 71.8 | Confident | 66.9 | Low | 129 Ų | 129 | 143.2 Ų | 143.2 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 133.2 | -179.4 | 22.5 | -30.4 | 0 | 0 | 0 | 111.1 | | |
| 160 | Q | 76.1 | Confident | 67.3 | Low | 180 Ų | 180 | 146.7 Ų | 146.7 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 147.5 | 176.7 | -74.9 | -136.1 | -30.3 | 0 | 0 | 111.8 | A158 | A158-Q160 PolarHBondContact O-N 2.9Š|
| 161 | P | 77.8 | Confident | 67.4 | Low | 110 Ų | 110 | 146.4 Ų | 146.4 | 71% | 0.714 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 148.3 | 176.7 | 28 | -33.6 | 0 | 0 | 0 | 111.7 | | |
| 162 | P | 74.2 | Confident | 67.1 | Low | 126 Ų | 126 | 146.4 Ų | 146.4 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 144.9 | 178.9 | 27.6 | -33 | 0 | 0 | 0 | 111.8 | | |
| 163 | L | 74.4 | Confident | 66.6 | Low | 165 Ų | 165 | 143.4 Ų | 143.4 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 146.8 | 175.9 | -70.2 | 161.5 | 0 | 0 | 0 | 110.9 | | |
| 164 | P | 70.9 | Confident | 66.2 | Low | 105 Ų | 105 | 143.3 Ų | 143.3 | 68% | 0.682 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 150.7 | 177.7 | 28.2 | -34 | 0 | 0 | 0 | 111.6 | L166 | P164-L166 PolarHBondContact O-N 3.45Š|
| 165 | P | 68.3 | Low | 65.8 | Low | 117 Ų | 117 | 143 Ų | 143 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 131.4 | 179.4 | 24.8 | -31.4 | 0 | 0 | 0 | 111 | F167 | P165-F167 PolarHBondContact O-N 2.91Š|
| 166 | L | 67.4 | Low | 65.2 | Low | 172 Ų | 172 | 142 Ų | 142 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 118.3 | 170.6 | -78.6 | 155.1 | 0 | 0 | 0 | 108.5 | P164 | P164-L166 PolarHBondContact O-N 3.45Š|
| 167 | F | 60.1 | Low | 64.4 | Low | 197 Ų | 197 | 141.5 Ų | 141.5 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 146 | 173.6 | -70.5 | -83.6 | 0 | 0 | 0 | 111.2 | P165 M169 | P165-F167 PolarHBondContact O-N 2.91Å; F167-M169 PolarHBondContact O-N 2.88Å |
| 168 | S | 51.9 | Low | 63.3 | Low | 121 Ų | 121 | 143.5 Ų | 143.5 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 123.7 | -173.8 | -49.2 | 0 | 0 | 0 | 0 | 113.4 | Q170 | S168-Q170 PolarHBondContact O-N 3.33Š|
| 169 | M | 54.2 | Low | 62.2 | Low | 181 Ų | 181 | 146.9 Ų | 146.9 | 89% | 0.892 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 119.2 | 166.1 | -80.9 | -75.5 | 162.5 | 0 | 0 | 109.2 | F167 | F167-M169 PolarHBondContact O-N 2.88Š|
| 170 | Q | 66.8 | Low | 61 | Low | 177 Ų | 177 | 146.5 Ų | 146.5 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 132 | 173.2 | -169.6 | 163.2 | 70.7 | 0 | 0 | 109 | S168 | S168-Q170 PolarHBondContact O-N 3.33Š|
| 171 | P | 61.4 | Low | 59.7 | Low | 116 Ų | 116 | 145.9 Ų | 145.9 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 138.2 | 179.7 | 25.3 | -32.2 | 0 | 0 | 0 | 111 | | |
| 172 | L | 58.9 | Low | 58.6 | Low | 169 Ų | 169 | 148.8 Ų | 148.8 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 138.4 | 174.3 | -87.7 | 80.7 | 0 | 0 | 0 | 110.6 | | |
| 173 | S | 54.2 | Low | 57.3 | Low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 143.7 | 176.5 | -52.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 174 | P | 53.7 | Low | 56.2 | Low | 126 Ų | 126 | 150.3 Ų | 150.3 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 139.8 | 179.6 | 27.3 | -33.2 | 0 | 0 | 0 | 111.8 | | |
| 175 | I | 57.4 | Low | 55.1 | Low | 168 Ų | 168 | 150.7 Ų | 150.7 | 86% | 0.862 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 126 | 177 | -71.3 | 141.5 | 0 | 0 | 0 | 109.5 | | |
| 176 | L | 57.8 | Low | 53.9 | Low | 153 Ų | 153 | 150 Ų | 150 | 80% | 0.801 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 148.1 | 172.7 | -83.7 | 167.8 | 0 | 0 | 0 | 111 | E178 | L176-E178 PolarHBondContact O-N 2.87Š|
| 177 | P | 51.1 | Low | 52.7 | Low | 112 Ų | 112 | 148.1 Ų | 148.1 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 132 | 176.5 | -17.7 | 30 | 0 | 0 | 0 | 111.6 | L179 | P177-L179 PolarHBondContact O-N 3.26Š|
| 178 | E | 47.7 | Very low | 51.6 | Low | 195 Ų | 195 | 144.8 Ų | 144.8 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 118.2 | 177 | -69.3 | -165.3 | 101.6 | 0 | 0 | 110.9 | L176 | L176-E178 PolarHBondContact O-N 2.87Š|
| 179 | L | 51.3 | Low | 51.3 | Low | 158 Ų | 158 | 148.6 Ų | 148.6 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71 | 143.5 | 162 | -88.1 | 111.8 | 0 | 0 | 0 | 109.4 | P177 L181 | P177-L179 PolarHBondContact O-N 3.26Å; L179-L181 PolarHBondContact O-N 3.23Å |
| 180 | P | 45.7 | Very low | 50.9 | Low | 121 Ų | 121 | 145.5 Ų | 145.5 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 132.7 | 178.3 | 25.9 | -32.8 | 0 | 0 | 0 | 110.6 | E182 | P180-E182 PolarHBondContact O-N 3.34Š|
| 181 | L | 49.5 | Very low | 49.6 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | -51.1 | 101.1 | -177.6 | -145 | 68.9 | 0 | 0 | 0 | 111.3 | L179 A183 | L179-L181 PolarHBondContact O-N 3.23Å; L181-A183 PolarHBondContact O-N 3.22Å |
| 182 | E | 53.4 | Low | 49.2 | Very low | 171 Ų | 171 | 150.2 Ų | 150.2 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | | | trans | -62.6 | 119.5 | 162 | -113.5 | -101.9 | 90.7 | 0 | 0 | 107.1 | P180 W184 | P180-E182 PolarHBondContact O-N 3.34Å; E182-W184 PolarHBondContact O-N 2.71Å; E182-W184 VanDerWaalsContact O-N 3.15Å |
| 183 | A | 48.2 | Very low | 48.7 | Very low | 87 Ų | 87 | 147.9 Ų | 147.9 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | | | trans | -70 | 109.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | L181 | L181-A183 PolarHBondContact O-N 3.22Š|
| 184 | W | 50.4 | Low | 48.4 | Very low | 235 Ų | 235 | 150.8 Ų | 150.8 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 137.5 | 174.5 | -64 | 91.7 | 0 | 0 | 0 | 111.2 | E182 A186 | E182-W184 PolarHBondContact O-N 2.71Å; E182-W184 VanDerWaalsContact O-N 3.15Å; W184-A186 PolarHBondContact O-N 3.38Å |
| 185 | P | 47.2 | Very low | 48.2 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 133.4 | 177.2 | 26.7 | -32.2 | 0 | 0 | 0 | 110.2 | T187 | P185-T187 PolarHBondContact O-N 3.09Š|
| 186 | A | 43.9 | Very low | 47.4 | Very low | 103 Ų | 103 | 147.6 Ų | 147.6 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 119.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | W184 D188 | W184-A186 PolarHBondContact O-N 3.38Å; A186-D188 PolarHBondContact O-N 3.22Å; A186-D188 VanDerWaalsContact O-N 3.09Å |
| 187 | T | 41 | Very low | 46.7 | Very low | 132 Ų | 132 | 149.2 Ų | 149.2 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | | | trans | -60.2 | 109.5 | 176.1 | -62 | 0 | 0 | 0 | 0 | 110.7 | P185 K189 | P185-T187 PolarHBondContact O-N 3.09Å; T187-K189 PolarHBondContact O-N 2.71Å |
| 188 | D | 38.2 | Very low | 46.3 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | | | trans | -60.9 | 123.6 | 167.1 | -172.3 | -92.4 | 0 | 0 | 0 | 109.9 | A186 T190 | A186-D188 PolarHBondContact O-N 3.22Å; A186-D188 VanDerWaalsContact O-N 3.09Å; D188-T190 PolarHBondContact O-N 3.41Å; D188-T190 PolarHBondContact OD1-OG1 2.95Å |
| 189 | K | 46 | Very low | 46.5 | Very low | 200 Ų | 200 | 143.2 Ų | 143.2 | 87% | 0.87 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -78.9 | 65.1 | -178.7 | -67.2 | -179.9 | 79 | 158.2 | 0 | 110.8 | T187 | T187-K189 PolarHBondContact O-N 2.71Š|
| 190 | T | 46 | Very low | 46.3 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | | | trans | -150.6 | 52.6 | 172.2 | -14.5 | 0 | 0 | 0 | 0 | 114.7 | D188 | D188-T190 PolarHBondContact O-N 3.41Å; D188-T190 PolarHBondContact OD1-OG1 2.95Å |
| 191 | K | 39.4 | Very low | 46.4 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | trans | -151.8 | 96.1 | 158.1 | -160.3 | -171.8 | 174.6 | -153.1 | 0 | 111.9 | E193 | K191-E193 VanDerWaalsContact C-N 3.33Å; K191-E193 IonicContact NZ-OE1 2.71Å; K191-E193 PolarHBondContact NZ-OE1 2.88Å; K191-E193 PolarHBondContact O-N 3.04Å |
| 192 | R | 53 | Low | 46.3 | Very low | 237 Ų | 237 | 147.9 Ų | 147.9 | 89% | 0.894 | 75% | 0.75 | S | S | * | * | | | trans | -57.1 | 97.8 | 150.7 | 55.4 | -171.5 | -166 | 176.4 | 5.4 | 107.6 | | |
| 193 | E | 46.7 | Very low | 46.1 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 56% | 0.561 | 75% | 0.749 | S | S | * | * | | | trans | -106.4 | 97.5 | 158.2 | 62 | 175 | 82.5 | 0 | 0 | 108.2 | K191 V195 | K191-E193 VanDerWaalsContact C-N 3.33Å; K191-E193 IonicContact NZ-OE1 2.71Å; K191-E193 PolarHBondContact NZ-OE1 2.88Å; K191-E193 PolarHBondContact O-N 3.04Å; E193-V195 VanDerWaalsContact C-N 3.34Å; E193-V195 PolarHBondContact O-N 2.71Å |
| 194 | E | 49.8 | Very low | 46.3 | Very low | 168 Ų | 168 | 153.6 Ų | 153.6 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | | | trans | -21.5 | 85 | 148.3 | 49.9 | -149.1 | 99.4 | 0 | 0 | 115.2 | V196 | E194-V196 HydrophobicContact CB-CG2 4.39Å; E194-V196 PolarHBondContact O-N 2.94Å |
| 195 | V | 47.6 | Very low | 46.2 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | | | trans | -76.8 | 71.4 | 155.4 | -174 | 0 | 0 | 0 | 0 | 107.3 | E193 F197 | E193-V195 VanDerWaalsContact C-N 3.34Å; E193-V195 PolarHBondContact O-N 2.71Å; V195-F197 VanDerWaalsContact C-N 3.31Å; V195-F197 PolarHBondContact O-N 3.04Å |
| 196 | V | 42.2 | Very low | 46.2 | Very low | 105 Ų | 105 | 147.4 Ų | 147.4 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | | | trans | -67.1 | 99.9 | 159.4 | 171.3 | 0 | 0 | 0 | 0 | 105.8 | E194 S198 | E194-V196 HydrophobicContact CB-CG2 4.39Å; E194-V196 PolarHBondContact O-N 2.94Å; V196-S198 PolarHBondContact O-N 3.06Å |
| 197 | F | 42.8 | Very low | 46.4 | Very low | 187 Ų | 187 | 148.4 Ų | 148.4 | 82% | 0.82 | 74% | 0.737 | S | S | * | * | | | trans | -58.3 | 88.8 | 167.5 | -154.6 | -92.3 | 0 | 0 | 0 | 107.9 | V195 P199 | V195-F197 VanDerWaalsContact C-N 3.31Å; V195-F197 PolarHBondContact O-N 3.04Å; F197-P199 VanDerWaalsContact O-CD 3.23Å; F197-P199 WeakPolarHBondContact O-CD 3.23Å |
| 198 | S | 43.1 | Very low | 47 | Very low | 74 Ų | 74 | 153.6 Ų | 153.6 | 52% | 0.517 | 74% | 0.741 | S | S | . | * | | | trans | -75.2 | 109.3 | 179.1 | -73.4 | 0 | 0 | 0 | 0 | 108.9 | V196 M200 | V196-S198 PolarHBondContact O-N 3.06Å; S198-M200 PolarHBondContact O-N 2.79Å |
| 199 | P | 51.2 | Low | 47.4 | Very low | 106 Ų | 106 | 156 Ų | 156 | 69% | 0.688 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -68.4 | -9.3 | -178.6 | 7.4 | 2.3 | 0 | 0 | 0 | 112.8 | F197 K201 W202 | F197-P199 VanDerWaalsContact O-CD 3.23Å; F197-P199 WeakPolarHBondContact O-CD 3.23Å; P199-K201 PolarHBondContact O-N 3.41Å; P199-W202 PolarHBondContact O-N 3.49Å |
| 200 | M | 46.9 | Very low | 47.6 | Very low | 166 Ų | 166 | 151.9 Ų | 151.9 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -70.8 | -22.3 | -176.6 | -105.6 | -171.1 | 167.8 | 0 | 0 | 114.9 | S198 | S198-M200 PolarHBondContact O-N 2.79Š|
| 201 | K | 47.5 | Very low | 47.6 | Very low | 182 Ų | 182 | 153.3 Ų | 153.3 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -75.8 | -23.6 | 178.9 | -88.5 | -177.1 | 174.5 | 177.5 | 0 | 113.4 | P199 | P199-K201 PolarHBondContact O-N 3.41Š|
| 202 | W | 47.2 | Very low | 47.8 | Very low | 197 Ų | 197 | 152.1 Ų | 152.1 | 75% | 0.746 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -72.8 | -30.6 | 178.6 | -122.6 | 92 | 0 | 0 | 0 | 112.7 | P199 Q204 | P199-W202 PolarHBondContact O-N 3.49Å; W202-Q204 VanDerWaalsContact C-N 3.3Å; W202-Q204 PolarHBondContact O-N 3.4Å |
| 203 | Y | 50.4 | Low | 47.5 | Very low | 197 Ų | 197 | 148 Ų | 148 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -74.2 | -17.8 | -179.9 | -114.6 | -87.8 | 0 | 0 | 0 | 114.2 | | |
| 204 | Q | 51.3 | Low | 47.5 | Very low | 181 Ų | 181 | 150.2 Ų | 150.2 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -87.9 | -11.1 | -178.2 | -146.4 | 179.7 | 68.7 | 0 | 0 | 113.1 | W202 | W202-Q204 VanDerWaalsContact C-N 3.3Å; W202-Q204 PolarHBondContact O-N 3.4Å |
| 205 | S | 48.8 | Very low | 47.5 | Very low | 103 Ų | 103 | 147.8 Ų | 147.8 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -104.8 | 19.8 | -177.2 | -167.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 206 | M | 46.3 | Very low | 47.7 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 57% | 0.567 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -95.6 | 128.4 | 166.1 | -69.7 | -161.1 | -147.5 | 0 | 0 | 109.8 | R208 | M206-R208 PolarHBondContact O-N 3.09Å; M206-R208 VanDerWaalsContact O-N 3.09Å |
| 207 | P | 48.8 | Very low | 48 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | | | trans | -64 | 113.3 | 170.2 | 24.5 | -29.1 | 0 | 0 | 0 | 108.8 | H209 | P207-H209 PolarHBondContact O-N 3.07Å; P207-H209 VanDerWaalsContact O-N 3.07Å |
| 208 | R | 53.7 | Low | 48.2 | Very low | 241 Ų | 241 | 148.8 Ų | 148.8 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | | | trans | -66.1 | 106.5 | 165.8 | -77 | -153.9 | -155 | 168 | 6.5 | 108 | M206 | M206-R208 PolarHBondContact O-N 3.09Å; M206-R208 VanDerWaalsContact O-N 3.09Å |
| 209 | H | 46.2 | Very low | 48.5 | Very low | 177 Ų | 177 | 158.1 Ų | 158.1 | 82% | 0.819 | 79% | 0.788 | S | S | * | * | | | trans | -63.9 | 125.1 | 157.7 | -123.7 | -91.8 | 0 | 0 | 0 | 107.8 | P207 L211 | P207-H209 PolarHBondContact O-N 3.07Å; P207-H209 VanDerWaalsContact O-N 3.07Å; H209-L211 PolarHBondContact O-N 3.23Å |
| 210 | P | 49.9 | Very low | 48.4 | Very low | 113 Ų | 113 | 160.8 Ų | 160.8 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | | | trans | -67.9 | 119.6 | 170.8 | 26.2 | -29.7 | 0 | 0 | 0 | 108.5 | N212 | P210-N212 PolarHBondContact O-N 3.12Å; P210-N212 VanDerWaalsContact O-N 3.12Å |
| 211 | L | 46.9 | Very low | 48.5 | Very low | 147 Ų | 147 | 160.5 Ų | 160.5 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | | | trans | -66.2 | 106.1 | 166.3 | -148.5 | 97.3 | 0 | 0 | 0 | 106.4 | H209 M213 | H209-L211 PolarHBondContact O-N 3.23Å; L211-M213 PolarHBondContact O-N 3.07Å |
| 212 | N | 44.4 | Very low | 48.5 | Very low | 130 Ų | 130 | 159.3 Ų | 159.3 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | | | trans | -63.9 | 106.1 | 172.7 | -174 | 12.4 | 0 | 0 | 0 | 107.9 | P210 E214 | P210-N212 PolarHBondContact O-N 3.12Å; P210-N212 VanDerWaalsContact O-N 3.12Å; N212-E214 PolarHBondContact O-N 3.22Å |
| 213 | M | 46.2 | Very low | 48.6 | Very low | 152 Ų | 152 | 157.1 Ų | 157.1 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | | | trans | -85.7 | 82.9 | 175.2 | -57.9 | -172.3 | -171.7 | 0 | 0 | 108 | L211 T215 | L211-M213 PolarHBondContact O-N 3.07Å; M213-T215 PolarHBondContact O-N 3.15Å; M213-T215 VanDerWaalsContact O-N 3.15Å |
| 214 | E | 46.9 | Very low | 48.5 | Very low | 166 Ų | 166 | 154.6 Ų | 154.6 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -68 | 110.3 | 165.4 | -70.5 | -172.2 | 88.6 | 0 | 0 | 108.2 | N212 P216 | N212-E214 PolarHBondContact O-N 3.22Å; E214-P216 WeakPolarHBondContact O-CD 3.42Å |
| 215 | T | 49.2 | Very low | 48.3 | Very low | 116 Ų | 116 | 152.8 Ų | 152.8 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | | | trans | -87.8 | 113.4 | 174.8 | -47.8 | 0 | 0 | 0 | 0 | 107.2 | M213 T217 | M213-T215 PolarHBondContact O-N 3.15Å; M213-T215 VanDerWaalsContact O-N 3.15Å; T215-T217 PolarHBondContact O-N 3.15Å; T215-T217 VanDerWaalsContact O-N 3.15Å |
| 216 | P | 51.2 | Low | 48.3 | Very low | 119 Ų | 119 | 156.4 Ų | 156.4 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | -75.2 | 107.8 | 170.6 | 28.1 | -27.9 | 0 | 0 | 0 | 108 | E214 E218 | E214-P216 WeakPolarHBondContact O-CD 3.42Å; P216-E218 PolarHBondContact O-N 3.33Å |
| 217 | T | 49.7 | Very low | 48.4 | Very low | 127 Ų | 127 | 159.5 Ų | 159.5 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | | | trans | -79.4 | 101.4 | 164.2 | -60.4 | 0 | 0 | 0 | 0 | 107.3 | T215 | T215-T217 PolarHBondContact O-N 3.15Å; T215-T217 VanDerWaalsContact O-N 3.15Å |
| 218 | E | 47 | Very low | 48.4 | Very low | 190 Ų | 190 | 162.4 Ų | 162.4 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | | | trans | -92.1 | 118.1 | 165.9 | -168.5 | -178.7 | 106.3 | 0 | 0 | 108.3 | P216 | P216-E218 PolarHBondContact O-N 3.33Š|
| 219 | K | 49.3 | Very low | 47.9 | Very low | 271 Ų | 271 | 155.3 Ų | 155.3 | 100% | 1.178 | 81% | 0.807 | S | S | * | * | | | trans | -144.8 | 0 | 158.3 | -88.7 | -164.5 | 179.1 | -172.9 | 0 | 108.8 | | |