| 1 | M | 45.5 | Very low | 60 | Low | 219 Ų | 219 | 135.9 Ų | 135.9 | 100% | 1.079 | 70% | 0.704 | S | S | * | * | | | | 0 | 136.1 | 0 | -88.3 | 72.2 | 120.7 | 0 | 0 | 109.7 | W3 | M1-W3 PolarHBondContact O-N 3.46Š|
| 2 | N | 46.6 | Very low | 61.2 | Low | 155 Ų | 155 | 133.9 Ų | 133.9 | 83% | 0.829 | 69% | 0.694 | S | S | * | * | | | trans | -82.5 | 114.1 | -177 | -69.2 | -7.9 | 0 | 0 | 0 | 111.3 | V4 | N2-V4 HydrophobicContact CB-CG2 4.44Å; N2-V4 PolarHBondContact O-N 3.11Å |
| 3 | W | 58.8 | Low | 62.3 | Low | 247 Ų | 247 | 130.7 Ų | 130.7 | 94% | 0.936 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -74.9 | -5.7 | 178.4 | -85.2 | 61.1 | 0 | 0 | 0 | 114.3 | M1 G5 | M1-W3 PolarHBondContact O-N 3.46Å; W3-G5 VanDerWaalsContact C-N 3.29Å; W3-G5 PolarHBondContact O-N 3.18Å |
| 4 | V | 59.2 | Low | 63.9 | Low | 132 Ų | 132 | 131.7 Ų | 131.7 | 80% | 0.8 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -78.7 | -3.8 | -166.1 | -138.2 | 0 | 0 | 0 | 0 | 114.7 | N2 | N2-V4 HydrophobicContact CB-CG2 4.44Å; N2-V4 PolarHBondContact O-N 3.11Å |
| 5 | G | 55.3 | Low | 65.3 | Low | 59 Ų | 59 | 129.5 Ų | 129.5 | 61% | 0.608 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -83.2 | -8.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116 | W3 | W3-G5 VanDerWaalsContact C-N 3.29Å; W3-G5 PolarHBondContact O-N 3.18Å |
| 6 | G | 58.5 | Low | 66.5 | Low | 30 Ų | 30 | 127 Ų | 127 | 31% | 0.309 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -74.8 | -31.1 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | R10 | G6-R10 WeakPolarHBondContact O-CB 3.15Å; G6-R10 VanDerWaalsContact O-CG 3.25Å; G6-R10 WeakPolarHBondContact O-CG 3.33Å; G6-R10 PolarHBondContact O-N 2.77Å; G6-R10 VanDerWaalsContact O-N 3.15Å |
| 7 | S | 62 | Low | 67.6 | Low | 89 Ų | 89 | 130.1 Ų | 130.1 | 62% | 0.622 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.5 | -47 | -164.4 | -50.2 | 0 | 0 | 0 | 0 | 113.4 | S9 R10 V11 | S7-S9 PolarHBondContact O-N 3.43Å; S7-R10 PolarHBondContact O-N 2.96Å; S7-V11 WeakPolarHBondContact O-CG2 3.37Å; S7-V11 PolarHBondContact O-N 2.71Å; S7-V11 VanDerWaalsContact O-N 3.09Å |
| 8 | R | 63.1 | Low | 68.7 | Low | 218 Ų | 218 | 131.7 Ų | 131.7 | 82% | 0.823 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62.3 | -43.9 | -179.3 | -76.3 | -179.5 | 169.6 | 152.9 | -1.9 | 112.2 | R10 V11 L12 | R8-R10 PolarHBondContact O-N 2.72Å; R8-V11 PolarHBondContact O-N 2.73Å; R8-L12 WeakPolarHBondContact O-CG 3.06Å; R8-L12 PolarHBondContact O-N 3.21Å; R8-L12 VanDerWaalsContact O-N 3.11Å |
| 9 | S | 66.4 | Low | 69.8 | Low | 68 Ų | 68 | 130.4 Ų | 130.4 | 48% | 0.476 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.9 | -36.2 | 176.9 | -53.3 | 0 | 0 | 0 | 0 | 112.6 | S7 L12 I13 | S7-S9 PolarHBondContact O-N 3.43Å; S9-L12 PolarHBondContact O-N 3.39Å; S9-I13 WeakPolarHBondContact O-CB 3.13Å; S9-I13 WeakPolarHBondContact O-CD1 3.26Å; S9-I13 VanDerWaalsContact O-CG1 3.22Å; S9-I13 WeakPolarHBondContact O-CG1 3.28Å; S9-I13 PolarHBondContact O-N 2.8Å |
| 10 | R | 70.5 | Confident | 70.7 | Confident | 185 Ų | 185 | 128.7 Ų | 128.7 | 70% | 0.698 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.7 | -39.9 | 175.2 | -75.3 | 172.6 | -175.9 | -134.4 | 2.2 | 112.4 | G6 S7 R8 K14 | G6-R10 WeakPolarHBondContact O-CB 3.15Å; G6-R10 VanDerWaalsContact O-CG 3.25Å; G6-R10 WeakPolarHBondContact O-CG 3.33Å; G6-R10 PolarHBondContact O-N 2.77Å; G6-R10 VanDerWaalsContact O-N 3.15Å; S7-R10 PolarHBondContact O-N 2.96Å; R8-R10 PolarHBondContact O-N 2.72Å; R10-K14 WeakPolarHBondContact O-CB 3.28Å; R10-K14 WeakPolarHBondContact O-CG 3.46Å; R10-K14 PolarHBondContact O-N 3.1Å |
| 11 | V | 73.5 | Confident | 71.7 | Confident | 93 Ų | 93 | 128.7 Ų | 128.7 | 56% | 0.564 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.6 | -47.3 | 175.7 | 174 | 0 | 0 | 0 | 0 | 110.9 | S7 R8 I13 K14 Q15 | S7-V11 WeakPolarHBondContact O-CG2 3.37Å; S7-V11 PolarHBondContact O-N 2.71Å; S7-V11 VanDerWaalsContact O-N 3.09Å; R8-V11 PolarHBondContact O-N 2.73Å; V11-I13 PolarHBondContact O-N 3.1Å; V11-K14 PolarHBondContact O-N 3.15Å; V11-Q15 PolarHBondContact O-N 3.13Å |
| 12 | L | 74.8 | Confident | 73.8 | Confident | 112 Ų | 112 | 123 Ų | 123 | 59% | 0.586 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61 | -43.3 | 177.6 | -69 | 171.7 | 0 | 0 | 0 | 112.3 | R8 S9 K14 Q15 E16 | R8-L12 WeakPolarHBondContact O-CG 3.06Å; R8-L12 PolarHBondContact O-N 3.21Å; R8-L12 VanDerWaalsContact O-N 3.11Å; S9-L12 PolarHBondContact O-N 3.39Å; L12-K14 PolarHBondContact O-N 3.05Å; L12-Q15 PolarHBondContact O-N 3.39Å; L12-E16 WeakPolarHBondContact O-CB 3.08Å; L12-E16 PolarHBondContact O-N 2.93Å |
| 13 | I | 76.1 | Confident | 75.7 | Confident | 92 Ų | 92 | 121.7 Ų | 121.7 | 47% | 0.472 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.3 | -39.1 | 175.8 | -67.9 | 164.4 | 0 | 0 | 0 | 111.5 | S9 V11 R17 | S9-I13 WeakPolarHBondContact O-CB 3.13Å; S9-I13 WeakPolarHBondContact O-CD1 3.26Å; S9-I13 VanDerWaalsContact O-CG1 3.22Å; S9-I13 WeakPolarHBondContact O-CG1 3.28Å; S9-I13 PolarHBondContact O-N 2.8Å; V11-I13 PolarHBondContact O-N 3.1Å; I13-R17 WeakPolarHBondContact O-CB 3.16Å; I13-R17 VanDerWaalsContact O-CG 3.29Å; I13-R17 WeakPolarHBondContact O-CG 3.4Å; I13-R17 PolarHBondContact O-N 3.17Å |
| 14 | K | 84.1 | Confident | 77.2 | Confident | 145 Ų | 145 | 116.7 Ų | 116.7 | 63% | 0.63 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.1 | -46 | 173.9 | -80.7 | -175.8 | 173.9 | -170.1 | 0 | 111.4 | R10 V11 L12 R17 R18 | R10-K14 WeakPolarHBondContact O-CB 3.28Å; R10-K14 WeakPolarHBondContact O-CG 3.46Å; R10-K14 PolarHBondContact O-N 3.1Å; V11-K14 PolarHBondContact O-N 3.15Å; L12-K14 PolarHBondContact O-N 3.05Å; K14-R17 PolarHBondContact O-N 2.81Å; K14-R18 PolarHBondContact O-N 3.14Å |
| 15 | Q | 84.6 | Confident | 78.7 | Confident | 99 Ų | 99 | 114.4 Ų | 114.4 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 179.7 | -166.9 | -175.1 | 22.9 | 0 | 0 | 111.8 | V11 L12 R18 K19 | V11-Q15 PolarHBondContact O-N 3.13Å; L12-Q15 PolarHBondContact O-N 3.39Å; Q15-R18 PolarHBondContact O-N 3Å; Q15-K19 WeakPolarHBondContact O-CG 3.25Å; Q15-K19 PolarHBondContact O-N 2.82Å |
| 16 | E | 84.7 | Confident | 80.2 | Confident | 89 Ų | 89 | 115.1 Ų | 115.1 | 42% | 0.416 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 177 | -176.2 | 54 | -152.1 | 0 | 0 | 111.9 | L12 R18 K19 Q20 | L12-E16 WeakPolarHBondContact O-CB 3.08Å; L12-E16 PolarHBondContact O-N 2.93Å; E16-R18 PolarHBondContact O-N 2.7Å; E16-K19 PolarHBondContact O-N 2.98Å; E16-Q20 WeakPolarHBondContact O-CG 3.47Å; E16-Q20 PolarHBondContact O-N 2.77Å; E16-Q20 PolarHBondContact OE1-NE2 2.97Å |
| 17 | R | 86.2 | Confident | 81.4 | Confident | 179 Ų | 179 | 116.5 Ų | 116.5 | 68% | 0.675 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.5 | -39.3 | 172.3 | -74.3 | 175.2 | -176.8 | -174.2 | 1.3 | 112.9 | I13 K14 Q20 K21 | I13-R17 WeakPolarHBondContact O-CB 3.16Å; I13-R17 VanDerWaalsContact O-CG 3.29Å; I13-R17 WeakPolarHBondContact O-CG 3.4Å; I13-R17 PolarHBondContact O-N 3.17Å; K14-R17 PolarHBondContact O-N 2.81Å; R17-Q20 PolarHBondContact O-N 2.75Å; R17-K21 PolarHBondContact O-N 3.06Å |
| 18 | R | 87.3 | Confident | 82.7 | Confident | 159 Ų | 159 | 119 Ų | 119 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.5 | -51.5 | 174.1 | -73.7 | -179.6 | 176.9 | 172.4 | -2.3 | 110.5 | K14 Q15 E16 Q20 K21 E22 | K14-R18 PolarHBondContact O-N 3.14Å; Q15-R18 PolarHBondContact O-N 3Å; E16-R18 PolarHBondContact O-N 2.7Å; R18-Q20 VanDerWaalsContact C-N 3.34Å; R18-Q20 PolarHBondContact O-N 2.94Å; R18-K21 WeakPolarHBondContact O-CB 3.42Å; R18-K21 PolarHBondContact O-N 3.4Å; R18-K21 VanDerWaalsContact O-N 3.15Å; R18-E22 WeakPolarHBondContact O-CG 3.39Å; R18-E22 PolarHBondContact O-N 3.14Å |
| 19 | K | 89.1 | Confident | 83.7 | Confident | 108 Ų | 108 | 109.4 Ų | 109.4 | 47% | 0.47 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.6 | -42.4 | 176.7 | -70.6 | 175.3 | -179.1 | 174.6 | 0 | 113.5 | Q15 E16 Y23 | Q15-K19 WeakPolarHBondContact O-CG 3.25Å; Q15-K19 PolarHBondContact O-N 2.82Å; E16-K19 PolarHBondContact O-N 2.98Å; K19-Y23 WeakPolarHBondContact O-CB 3.34Å; K19-Y23 PolarHBondContact O-N 3.02Å |
| 20 | Q | 87.8 | Confident | 84.5 | Confident | 96 Ų | 96 | 109.8 Ų | 109.8 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 177.8 | -71.6 | 176.8 | 13.8 | 0 | 0 | 111.7 | E16 R17 R18 Y23 F24 | E16-Q20 WeakPolarHBondContact O-CG 3.47Å; E16-Q20 PolarHBondContact O-N 2.77Å; E16-Q20 PolarHBondContact OE1-NE2 2.97Å; R17-Q20 PolarHBondContact O-N 2.75Å; R18-Q20 VanDerWaalsContact C-N 3.34Å; R18-Q20 PolarHBondContact O-N 2.94Å; Q20-Y23 PolarHBondContact O-N 3.01Å; Q20-F24 WeakPolarHBondContact O-CD2 3.49Å; Q20-F24 PolarHBondContact O-N 2.86Å |
| 21 | K | 92.2 | Very high | 84.9 | Confident | 129 Ų | 129 | 104.2 Ų | 104.2 | 56% | 0.561 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -58.9 | -50.8 | 174.4 | -177 | -176.4 | 170.8 | -170.9 | 0 | 111.2 | R17 R18 Y23 F24 E25 | R17-K21 PolarHBondContact O-N 3.06Å; R18-K21 WeakPolarHBondContact O-CB 3.42Å; R18-K21 PolarHBondContact O-N 3.4Å; R18-K21 VanDerWaalsContact O-N 3.15Å; K21-Y23 VanDerWaalsContact C-N 3.29Å; K21-Y23 PolarHBondContact O-N 3.24Å; K21-F24 PolarHBondContact O-N 3.29Å; K21-E25 WeakPolarHBondContact CE-OE1 3.46Å; K21-E25 IonicContact NZ-OE1 3.81Å; K21-E25 PolarHBondContact O-N 3.32Å |
| 22 | E | 88 | Confident | 85.4 | Confident | 98 Ų | 98 | 105.3 Ų | 105.3 | 46% | 0.458 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.5 | -39.7 | 177 | -71.2 | 164.7 | -145.2 | 0 | 0 | 112.5 | R18 R26 | R18-E22 WeakPolarHBondContact O-CG 3.39Å; R18-E22 PolarHBondContact O-N 3.14Å; E22-R26 WeakPolarHBondContact O-CB 3.24Å; E22-R26 PolarHBondContact O-N 3.3Å |
| 23 | Y | 88.5 | Confident | 85.6 | Confident | 129 Ų | 129 | 100.2 Ų | 100.2 | 51% | 0.506 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 176.4 | 176.9 | -93.9 | 0 | 0 | 0 | 112.2 | K19 Q20 K21 N27 | K19-Y23 WeakPolarHBondContact O-CB 3.34Å; K19-Y23 PolarHBondContact O-N 3.02Å; Q20-Y23 PolarHBondContact O-N 3.01Å; K21-Y23 VanDerWaalsContact C-N 3.29Å; K21-Y23 PolarHBondContact O-N 3.24Å; Y23-N27 WeakPolarHBondContact CE1-ND2 3.14Å; Y23-N27 WeakPolarHBondContact O-CB 3.4Å; Y23-N27 PolarHBondContact O-N 2.81Å; Y23-N27 PolarHBondContact OH-ND2 3.3Å |
| 24 | F | 89.4 | Confident | 85.8 | Confident | 142 Ų | 142 | 104.1 Ų | 104.1 | 62% | 0.623 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.8 | -41.5 | 177.3 | -77.9 | -66.8 | 0 | 0 | 0 | 112.3 | Q20 K21 N27 K28 | Q20-F24 WeakPolarHBondContact O-CD2 3.49Å; Q20-F24 PolarHBondContact O-N 2.86Å; K21-F24 PolarHBondContact O-N 3.29Å; F24-N27 PolarHBondContact O-N 3.18Å; F24-K28 VanDerWaalsContact O-CB 3.27Å; F24-K28 WeakPolarHBondContact O-CB 3.41Å; F24-K28 PolarHBondContact O-N 2.82Å |
| 25 | E | 89.6 | Confident | 85.4 | Confident | 84 Ų | 84 | 104.7 Ų | 104.7 | 39% | 0.393 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.1 | -46.2 | 177.8 | -73 | 176.8 | 171.5 | 0 | 0 | 111.6 | K21 N27 K28 L29 | K21-E25 WeakPolarHBondContact CE-OE1 3.46Å; K21-E25 IonicContact NZ-OE1 3.81Å; K21-E25 PolarHBondContact O-N 3.32Å; E25-N27 VanDerWaalsContact C-N 3.33Å; E25-N27 PolarHBondContact O-N 3.34Å; E25-K28 PolarHBondContact O-N 3.48Å; E25-L29 WeakPolarHBondContact O-CB 3.34Å; E25-L29 PolarHBondContact O-N 3.14Å |
| 26 | R | 86.8 | Confident | 84.7 | Confident | 74 Ų | 74 | 103 Ų | 103 | 28% | 0.279 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.4 | -41.8 | 173.7 | -179.6 | -174.7 | -95.6 | 154.2 | -7.7 | 111.9 | E22 L29 K30 V47 L49 L52 | E22-R26 WeakPolarHBondContact O-CB 3.24Å; E22-R26 PolarHBondContact O-N 3.3Å; R26-L29 PolarHBondContact O-N 3.03Å; R26-K30 HydrophobicContact CG-CD 4.42Å; R26-K30 WeakPolarHBondContact O-CB 3.35Å; R26-K30 VanDerWaalsContact O-CG 3.31Å; R26-K30 WeakPolarHBondContact O-CG 3.47Å; R26-K30 PolarHBondContact O-N 2.94Å; R26-V47 PolarHBondContact NE-O 3.22Å; R26-V47 PolarHBondContact NH2-O 2.93Å; R26-L49 HydrophobicContact CB-CD1 4.45Å; R26-L52 HydrophobicContact CG-CD2 4.36Å |
| 27 | N | 85.4 | Confident | 83.7 | Confident | 58 Ų | 58 | 101.9 Ų | 101.9 | 31% | 0.31 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.3 | -40.3 | 178.1 | -80 | -10.2 | 0 | 0 | 0 | 112.7 | Y23 F24 E25 L29 K30 S31 | Y23-N27 WeakPolarHBondContact CE1-ND2 3.14Å; Y23-N27 WeakPolarHBondContact O-CB 3.4Å; Y23-N27 PolarHBondContact O-N 2.81Å; Y23-N27 PolarHBondContact OH-ND2 3.3Å; F24-N27 PolarHBondContact O-N 3.18Å; E25-N27 VanDerWaalsContact C-N 3.33Å; E25-N27 PolarHBondContact O-N 3.34Å; N27-L29 VanDerWaalsContact C-N 3.27Å; N27-L29 PolarHBondContact O-N 3.15Å; N27-K30 PolarHBondContact O-N 2.83Å; N27-S31 PolarHBondContact O-N 2.75Å; N27-S31 PolarHBondContact O-OG 2.97Å |
| 28 | K | 88.7 | Confident | 82.5 | Confident | 141 Ų | 141 | 94.1 Ų | 94.1 | 61% | 0.613 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.8 | -34 | 173.3 | -175.9 | 178 | -178.4 | 179.4 | 0 | 112 | F24 E25 S31 K32 | F24-K28 VanDerWaalsContact O-CB 3.27Å; F24-K28 WeakPolarHBondContact O-CB 3.41Å; F24-K28 PolarHBondContact O-N 2.82Å; E25-K28 PolarHBondContact O-N 3.48Å; K28-S31 PolarHBondContact O-OG 2.83Å; K28-K32 WeakPolarHBondContact O-CG 3.23Å; K28-K32 PolarHBondContact O-N 3.36Å |
| 29 | L | 84.1 | Confident | 81.2 | Confident | 18 Ų | 18 | 92.5 Ų | 92.5 | 9% | 0.094 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -75.5 | -40.2 | 176 | -166 | 59.8 | 0 | 0 | 0 | 111.8 | E25 R26 N27 S31 K32 L33 L49 L52 N53 V56 | E25-L29 WeakPolarHBondContact O-CB 3.34Å; E25-L29 PolarHBondContact O-N 3.14Å; R26-L29 PolarHBondContact O-N 3.03Å; N27-L29 VanDerWaalsContact C-N 3.27Å; N27-L29 PolarHBondContact O-N 3.15Å; L29-S31 VanDerWaalsContact C-N 3.34Å; L29-S31 PolarHBondContact O-N 2.83Å; L29-K32 WeakPolarHBondContact O-CB 3.47Å; L29-K32 PolarHBondContact O-N 2.84Å; L29-L33 PolarHBondContact O-N 3.18Å; L29-L49 HydrophobicContact CD2-CD1 3.99Å; L29-L52 HydrophobicContact CB-CD2 4.03Å; L29-L52 HydrophobicContact CD2-CB 3.96Å; L29-L52 HydrophobicContact CD2-CD2 3.78Å; L29-L52 HydrophobicContact CD2-CG 3.57Å; L29-L52 HydrophobicContact CG-CD2 3.93Å; L29-L52 HydrophobicContact CG-CG 3.87Å; L29-N53 WeakPolarHBondContact CD2-OD1 3.49Å; L29-V56 HydrophobicContact CD1-CB 4.28Å; L29-V56 HydrophobicContact CD1-CG1 4.27Å; L29-V56 HydrophobicContact CD1-CG2 3.85Å; L29-V56 HydrophobicContact CG-CG2 4.2Å |
| 30 | K | 82.4 | Confident | 79.8 | Confident | 76 Ų | 76 | 90.6 Ų | 90.6 | 33% | 0.33 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.7 | -38.6 | 171 | -76 | 175.8 | 178.4 | -178.3 | 0 | 112.8 | R26 N27 L33 K34 L52 | R26-K30 HydrophobicContact CG-CD 4.42Å; R26-K30 WeakPolarHBondContact O-CB 3.35Å; R26-K30 VanDerWaalsContact O-CG 3.31Å; R26-K30 WeakPolarHBondContact O-CG 3.47Å; R26-K30 PolarHBondContact O-N 2.94Å; N27-K30 PolarHBondContact O-N 2.83Å; K30-L33 PolarHBondContact O-N 2.85Å; K30-K34 WeakPolarHBondContact O-CG 3.36Å; K30-K34 PolarHBondContact O-N 3.16Å; K30-K34 VanDerWaalsContact O-N 3.11Å; K30-L52 HydrophobicContact CG-CD2 3.96Å |
| 31 | S | 80.5 | Confident | 78.3 | Confident | 68 Ų | 68 | 88 Ų | 88 | 48% | 0.476 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.4 | -38 | 176.7 | 64.8 | 0 | 0 | 0 | 0 | 112.3 | N27 K28 L29 L33 K34 L35 | N27-S31 PolarHBondContact O-N 2.75Å; N27-S31 PolarHBondContact O-OG 2.97Å; K28-S31 PolarHBondContact O-OG 2.83Å; L29-S31 VanDerWaalsContact C-N 3.34Å; L29-S31 PolarHBondContact O-N 2.83Å; S31-L33 VanDerWaalsContact C-N 3.33Å; S31-L33 PolarHBondContact O-N 2.93Å; S31-K34 PolarHBondContact O-N 2.85Å; S31-L35 PolarHBondContact O-N 3.1Å |
| 32 | K | 83.2 | Confident | 76.6 | Confident | 116 Ų | 116 | 86.6 Ų | 86.6 | 50% | 0.504 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.6 | -43 | 168.6 | -76.4 | -179.4 | 172.5 | -166.7 | 0 | 112.3 | K28 L29 K34 L35 L36 | K28-K32 WeakPolarHBondContact O-CG 3.23Å; K28-K32 PolarHBondContact O-N 3.36Å; L29-K32 WeakPolarHBondContact O-CB 3.47Å; L29-K32 PolarHBondContact O-N 2.84Å; K32-K34 PolarHBondContact O-N 2.98Å; K32-L35 WeakPolarHBondContact O-CB 3.27Å; K32-L35 PolarHBondContact O-N 3.22Å; K32-L35 VanDerWaalsContact O-N 3.14Å; K32-L36 WeakPolarHBondContact O-CG 3.11Å; K32-L36 PolarHBondContact O-N 3.08Å |
| 33 | L | 79.3 | Confident | 75.2 | Confident | 4 Ų | 4 | 92.4 Ų | 92.4 | 2% | 0.021 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 179.5 | -165.7 | 71.9 | 0 | 0 | 0 | 112.1 | L29 K30 S31 L35 L36 V38 L52 Y55 V56 | L29-L33 PolarHBondContact O-N 3.18Å; K30-L33 PolarHBondContact O-N 2.85Å; S31-L33 VanDerWaalsContact C-N 3.33Å; S31-L33 PolarHBondContact O-N 2.93Å; L33-L35 VanDerWaalsContact C-N 3.33Å; L33-L35 PolarHBondContact O-N 3.23Å; L33-L36 PolarHBondContact O-N 3.18Å; L33-V38 HydrophobicContact CD1-CB 3.7Å; L33-V38 HydrophobicContact CD1-CG1 3.87Å; L33-V38 HydrophobicContact CD1-CG2 4.32Å; L33-V38 HydrophobicContact CG-CB 4.02Å; L33-V38 HydrophobicContact CG-CG1 4.34Å; L33-V38 PolarHBondContact O-N 2.86Å; L33-L52 HydrophobicContact CD2-CD1 4.13Å; L33-Y55 HydrophobicContact CD1-CD1 3.79Å; L33-Y55 HydrophobicContact CD1-CE1 3.75Å; L33-Y55 HydrophobicContact CD2-CD1 4.16Å; L33-Y55 HydrophobicContact CD2-CE1 4.05Å; L33-Y55 HydrophobicContact CG-CE1 4.47Å; L33-V56 HydrophobicContact CD1-CG2 3.8Å |
| 34 | K | 79.2 | Confident | 73.7 | Confident | 175 Ų | 175 | 93.1 Ų | 93.1 | 76% | 0.761 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.3 | -40.3 | 171.9 | -71.4 | -177.2 | 176.5 | -168.3 | 0 | 112.5 | K30 S31 K32 L36 G37 | K30-K34 WeakPolarHBondContact O-CG 3.36Å; K30-K34 PolarHBondContact O-N 3.16Å; K30-K34 VanDerWaalsContact O-N 3.11Å; S31-K34 PolarHBondContact O-N 2.85Å; K32-K34 PolarHBondContact O-N 2.98Å; K34-L36 VanDerWaalsContact C-N 3.33Å; K34-G37 PolarHBondContact O-N 3.35Å |
| 35 | L | 76.1 | Confident | 72.2 | Confident | 156 Ų | 156 | 91.5 Ų | 91.5 | 82% | 0.817 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.4 | -36.3 | 178.4 | -164.2 | 88 | 0 | 0 | 0 | 112.2 | S31 K32 L33 G37 | S31-L35 PolarHBondContact O-N 3.1Å; K32-L35 WeakPolarHBondContact O-CB 3.27Å; K32-L35 PolarHBondContact O-N 3.22Å; K32-L35 VanDerWaalsContact O-N 3.14Å; L33-L35 VanDerWaalsContact C-N 3.33Å; L33-L35 PolarHBondContact O-N 3.23Å; L35-G37 PolarHBondContact O-N 3.03Å |
| 36 | L | 69.4 | Low | 71 | Confident | 63 Ų | 63 | 92 Ų | 92 | 33% | 0.33 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 5.6 | 177.2 | -67.5 | 173.3 | 0 | 0 | 0 | 113.5 | K32 L33 K34 V38 M63 | K32-L36 WeakPolarHBondContact O-CG 3.11Å; K32-L36 PolarHBondContact O-N 3.08Å; L33-L36 PolarHBondContact O-N 3.18Å; K34-L36 VanDerWaalsContact C-N 3.33Å; L36-V38 HydrophobicContact CB-CG2 3.87Å; L36-V38 WeakPolarHBondContact O-CG2 3.49Å; L36-V38 PolarHBondContact O-N 3.09Å; L36-V38 VanDerWaalsContact O-N 3.12Å; L36-M63 HydrophobicContact CD2-SD 4.35Å |
| 37 | G | 64.7 | Low | 70.2 | Confident | 66 Ų | 66 | 90.3 Ų | 90.3 | 68% | 0.68 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 7.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | K34 L35 V39 | K34-G37 PolarHBondContact O-N 3.35Å; L35-G37 PolarHBondContact O-N 3.03Å; G37-V39 PolarHBondContact O-N 3.02Å |
| 38 | V | 61.4 | Low | 69.9 | Low | 17 Ų | 17 | 90.1 Ų | 90.1 | 10% | 0.103 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 121.5 | -172.8 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | L33 L36 S40 Y55 Q59 | L33-V38 HydrophobicContact CD1-CB 3.7Å; L33-V38 HydrophobicContact CD1-CG1 3.87Å; L33-V38 HydrophobicContact CD1-CG2 4.32Å; L33-V38 HydrophobicContact CG-CB 4.02Å; L33-V38 HydrophobicContact CG-CG1 4.34Å; L33-V38 PolarHBondContact O-N 2.86Å; L36-V38 HydrophobicContact CB-CG2 3.87Å; L36-V38 WeakPolarHBondContact O-CG2 3.49Å; L36-V38 PolarHBondContact O-N 3.09Å; L36-V38 VanDerWaalsContact O-N 3.12Å; V38-S40 PolarHBondContact O-N 2.04Å; V38-Y55 HydrophobicContact CG1-CE1 3.43Å; V38-Y55 VanDerWaalsContact CG1-CE1 3.43Å; V38-Y55 WeakPolarHBondContact CG1-OH 2.86Å; V38-Q59 HydrophobicContact CG1-CG 4Å; V38-Q59 VanDerWaalsContact CG1-NE2 3.31Å; V38-Q59 HydrophobicContact CG2-CB 4.33Å; V38-Q59 HydrophobicContact CG2-CG 4.15Å; V38-Q59 VanDerWaalsContact CG2-NE2 3.33Å |
| 39 | V | 59.4 | Low | 69.5 | Low | 124 Ų | 124 | 85.3 Ų | 85.3 | 75% | 0.752 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 121.2 | 173 | -173.7 | 0 | 0 | 0 | 0 | 109 | G37 Y55 | G37-V39 PolarHBondContact O-N 3.02Å; V39-Y55 PolarHBondContact O-OH 3.1Å |
| 40 | S | 59 | Low | 69.6 | Low | 68 Ų | 68 | 90 Ų | 90 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 127.6 | 178.1 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | V38 V42 | V38-S40 PolarHBondContact O-N 2.04Å; S40-V42 PolarHBondContact O-N 2.83Å |
| 41 | P | 56.6 | Low | 69.8 | Low | 43 Ų | 43 | 91 Ų | 91 | 28% | 0.279 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -69.1 | 109.2 | -178.8 | 28 | -32.1 | 0 | 0 | 0 | 108.1 | Y55 | P41-Y55 HydrophobicContact CB-CE1 4.47Å; P41-Y55 HydrophobicContact CB-CE2 4.25Å; P41-Y55 VanDerWaalsContact CD-CE1 3.42Å; P41-Y55 HydrophobicContact CG-CD1 3.75Å; P41-Y55 HydrophobicContact CG-CD2 4.11Å; P41-Y55 HydrophobicContact CG-CE1 3.77Å; P41-Y55 HydrophobicContact CG-CE2 4.16Å; P41-Y55 HydrophobicContact CG-CG 3.92Å |
| 42 | V | 56.4 | Low | 69.9 | Low | 99 Ų | 99 | 88 Ų | 88 | 60% | 0.6 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 69.6 | 136.6 | 177.8 | -165.7 | 0 | 0 | 0 | 0 | 115.2 | S40 K44 | S40-V42 PolarHBondContact O-N 2.83Å; V42-K44 HydrophobicContact CG1-CB 4.1Å; V42-K44 HydrophobicContact CG1-CD 4.09Å; V42-K44 HydrophobicContact CG1-CG 3.88Å; V42-K44 PolarHBondContact O-N 3.04Å |
| 43 | K | 58.6 | Low | 70 | Confident | 220 Ų | 220 | 85.8 Ų | 85.8 | 96% | 0.957 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -69.4 | 20.6 | 177 | -60 | -179.7 | 179.4 | 177.3 | 0 | 114.5 | | |
| 44 | K | 56.6 | Low | 70.4 | Confident | 143 Ų | 143 | 90.1 Ų | 90.1 | 62% | 0.622 | 50% | 0.504 | S | S | * | . | | | trans | -102 | 124.8 | -175.2 | -74.5 | -179 | -178.9 | -178.2 | 0 | 110.7 | V42 S46 | V42-K44 HydrophobicContact CG1-CB 4.1Å; V42-K44 HydrophobicContact CG1-CD 4.09Å; V42-K44 HydrophobicContact CG1-CG 3.88Å; V42-K44 PolarHBondContact O-N 3.04Å; K44-S46 PolarHBondContact O-N 3.25Å; K44-S46 VanDerWaalsContact O-N 3.08Å |
| 45 | P | 58.3 | Low | 70.6 | Confident | 109 Ų | 109 | 84.7 Ų | 84.7 | 71% | 0.708 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 0.4 | -176 | 29.4 | -35.6 | 0 | 0 | 0 | 114.9 | | |
| 46 | S | 65.1 | Low | 70.9 | Confident | 95 Ų | 95 | 77.9 Ų | 77.9 | 66% | 0.664 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 10.5 | -169 | 60.1 | 0 | 0 | 0 | 0 | 115.8 | K44 S48 | K44-S46 PolarHBondContact O-N 3.25Å; K44-S46 VanDerWaalsContact O-N 3.08Å; S46-S48 PolarHBondContact O-N 2.79Å |
| 47 | V | 69.7 | Low | 71.8 | Confident | 37 Ų | 37 | 79.1 Ų | 79.1 | 22% | 0.224 | 45% | 0.454 | C | S | . | . | | | trans | -66.6 | 128.3 | 178.4 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | R26 L51 L52 | R26-V47 PolarHBondContact NE-O 3.22Å; R26-V47 PolarHBondContact NH2-O 2.93Å; V47-L51 HydrophobicContact CG1-CB 3.94Å; V47-L51 HydrophobicContact CG1-CD2 4.08Å; V47-L51 HydrophobicContact CG1-CG 3.99Å; V47-L52 HydrophobicContact CG1-CB 4.35Å |
| 48 | S | 79 | Confident | 72.8 | Confident | 55 Ų | 55 | 79.9 Ų | 79.9 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | | | trans | -62.1 | 157.2 | 176.8 | 59.2 | 0 | 0 | 0 | 0 | 111.6 | S46 D50 L51 L52 | S46-S48 PolarHBondContact O-N 2.79Å; S48-D50 PolarHBondContact O-N 3.17Å; S48-L51 PolarHBondContact O-N 3.03Å; S48-L51 VanDerWaalsContact OG-CB 3.3Å; S48-L51 WeakPolarHBondContact OG-CB 3.49Å; S48-L51 PolarHBondContact OG-N 3.24Å; S48-L52 PolarHBondContact O-N 3.1Å; S48-L52 VanDerWaalsContact O-N 3.14Å |
| 49 | L | 80.8 | Confident | 73.7 | Confident | 39 Ų | 39 | 81.6 Ų | 81.6 | 20% | 0.204 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 177.3 | -178 | 60.3 | 0 | 0 | 0 | 110.6 | R26 L29 L52 N53 | R26-L49 HydrophobicContact CB-CD1 4.45Å; L29-L49 HydrophobicContact CD2-CD1 3.99Å; L49-L52 PolarHBondContact O-N 3.02Å; L49-N53 WeakPolarHBondContact O-CB 3.47Å; L49-N53 PolarHBondContact O-N 3.29Å |
| 50 | D | 85.5 | Confident | 74.7 | Confident | 117 Ų | 117 | 80.2 Ų | 80.2 | 63% | 0.626 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -66.2 | -41.1 | -178.8 | -46.4 | -47.8 | 0 | 0 | 0 | 112.3 | S48 L52 N53 L54 | S48-D50 PolarHBondContact O-N 3.17Å; D50-L52 VanDerWaalsContact C-N 3.32Å; D50-L52 PolarHBondContact O-N 2.79Å; D50-N53 WeakPolarHBondContact O-CB 3.39Å; D50-N53 PolarHBondContact O-N 3.11Å; D50-L54 VanDerWaalsContact O-CB 3.3Å; D50-L54 WeakPolarHBondContact O-CB 3.1Å; D50-L54 PolarHBondContact O-N 3.07Å |
| 51 | L | 86.9 | Confident | 75.6 | Confident | 96 Ų | 96 | 80.6 Ų | 80.6 | 50% | 0.503 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.7 | -33.1 | 175.9 | -175.8 | 55.3 | 0 | 0 | 0 | 111.6 | V47 S48 Y55 | V47-L51 HydrophobicContact CG1-CB 3.94Å; V47-L51 HydrophobicContact CG1-CD2 4.08Å; V47-L51 HydrophobicContact CG1-CG 3.99Å; S48-L51 PolarHBondContact O-N 3.03Å; S48-L51 VanDerWaalsContact OG-CB 3.3Å; S48-L51 WeakPolarHBondContact OG-CB 3.49Å; S48-L51 PolarHBondContact OG-N 3.24Å; L51-Y55 VanDerWaalsContact O-CB 3.27Å; L51-Y55 WeakPolarHBondContact O-CB 3.16Å; L51-Y55 PolarHBondContact O-N 3.48Å |
| 52 | L | 82.4 | Confident | 76.1 | Confident | 7 Ų | 7 | 81 Ų | 81 | 4% | 0.037 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -71.7 | -36.8 | 173.3 | -171 | 62.7 | 0 | 0 | 0 | 112 | R26 L29 K30 L33 V47 S48 L49 D50 V56 | R26-L52 HydrophobicContact CG-CD2 4.36Å; L29-L52 HydrophobicContact CB-CD2 4.03Å; L29-L52 HydrophobicContact CD2-CB 3.96Å; L29-L52 HydrophobicContact CD2-CD2 3.78Å; L29-L52 HydrophobicContact CD2-CG 3.57Å; L29-L52 HydrophobicContact CG-CD2 3.93Å; L29-L52 HydrophobicContact CG-CG 3.87Å; K30-L52 HydrophobicContact CG-CD2 3.96Å; L33-L52 HydrophobicContact CD2-CD1 4.13Å; V47-L52 HydrophobicContact CG1-CB 4.35Å; S48-L52 PolarHBondContact O-N 3.1Å; S48-L52 VanDerWaalsContact O-N 3.14Å; L49-L52 PolarHBondContact O-N 3.02Å; D50-L52 VanDerWaalsContact C-N 3.32Å; D50-L52 PolarHBondContact O-N 2.79Å; L52-V56 WeakPolarHBondContact O-CG2 3.37Å; L52-V56 PolarHBondContact O-N 3.32Å |
| 53 | N | 85.6 | Confident | 76.5 | Confident | 68 Ų | 68 | 80.7 Ų | 80.7 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.3 | -51.3 | 172.1 | -83 | -29.9 | 0 | 0 | 0 | 110.9 | L29 L49 D50 Y55 V56 V57 | L29-N53 WeakPolarHBondContact CD2-OD1 3.49Å; L49-N53 WeakPolarHBondContact O-CB 3.47Å; L49-N53 PolarHBondContact O-N 3.29Å; D50-N53 WeakPolarHBondContact O-CB 3.39Å; D50-N53 PolarHBondContact O-N 3.11Å; N53-Y55 VanDerWaalsContact C-N 3.29Å; N53-Y55 PolarHBondContact O-N 2.77Å; N53-V56 PolarHBondContact O-N 3.18Å; N53-V56 VanDerWaalsContact O-N 3.12Å; N53-V57 WeakPolarHBondContact O-CG2 3.4Å; N53-V57 PolarHBondContact O-N 2.68Å |
| 54 | L | 87.9 | Confident | 76.8 | Confident | 95 Ų | 95 | 76.7 Ų | 76.7 | 50% | 0.497 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.9 | -42.1 | 178.5 | -174.8 | 65.4 | 0 | 0 | 0 | 111.1 | D50 V57 N58 | D50-L54 VanDerWaalsContact O-CB 3.3Å; D50-L54 WeakPolarHBondContact O-CB 3.1Å; D50-L54 PolarHBondContact O-N 3.07Å; L54-V57 PolarHBondContact O-N 3.39Å; L54-N58 WeakPolarHBondContact O-CB 3.27Å; L54-N58 PolarHBondContact O-N 3.35Å; L54-N58 PolarHBondContact O-OD1 2.98Å |
| 55 | Y | 82.8 | Confident | 76.8 | Confident | 61 Ų | 61 | 76.5 Ų | 76.5 | 24% | 0.239 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 174.5 | -173.1 | -110.8 | 0 | 0 | 0 | 112.4 | L33 V38 V39 P41 L51 N53 N58 Q59 | L33-Y55 HydrophobicContact CD1-CD1 3.79Å; L33-Y55 HydrophobicContact CD1-CE1 3.75Å; L33-Y55 HydrophobicContact CD2-CD1 4.16Å; L33-Y55 HydrophobicContact CD2-CE1 4.05Å; L33-Y55 HydrophobicContact CG-CE1 4.47Å; V38-Y55 HydrophobicContact CG1-CE1 3.43Å; V38-Y55 VanDerWaalsContact CG1-CE1 3.43Å; V38-Y55 WeakPolarHBondContact CG1-OH 2.86Å; V39-Y55 PolarHBondContact O-OH 3.1Å; P41-Y55 HydrophobicContact CB-CE1 4.47Å; P41-Y55 HydrophobicContact CB-CE2 4.25Å; P41-Y55 VanDerWaalsContact CD-CE1 3.42Å; P41-Y55 HydrophobicContact CG-CD1 3.75Å; P41-Y55 HydrophobicContact CG-CD2 4.11Å; P41-Y55 HydrophobicContact CG-CE1 3.77Å; P41-Y55 HydrophobicContact CG-CE2 4.16Å; P41-Y55 HydrophobicContact CG-CG 3.92Å; L51-Y55 VanDerWaalsContact O-CB 3.27Å; L51-Y55 WeakPolarHBondContact O-CB 3.16Å; L51-Y55 PolarHBondContact O-N 3.48Å; N53-Y55 VanDerWaalsContact C-N 3.29Å; N53-Y55 PolarHBondContact O-N 2.77Å; Y55-N58 PolarHBondContact O-N 3.05Å; Y55-Q59 HydrophobicContact CD1-CG 4.36Å; Y55-Q59 HydrophobicContact CE1-CG 4.06Å; Y55-Q59 HydrophobicContact CE2-CG 4.24Å; Y55-Q59 WeakPolarHBondContact O-CB 3.16Å; Y55-Q59 VanDerWaalsContact O-CG 3.23Å; Y55-Q59 WeakPolarHBondContact O-CG 3.47Å; Y55-Q59 PolarHBondContact O-N 2.97Å |
| 56 | V | 83.4 | Confident | 76.5 | Confident | 14 Ų | 14 | 77 Ų | 77 | 9% | 0.085 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 176.2 | 168.1 | 0 | 0 | 0 | 0 | 111.9 | L29 L33 L52 N53 Q59 I60 | L29-V56 HydrophobicContact CD1-CB 4.28Å; L29-V56 HydrophobicContact CD1-CG1 4.27Å; L29-V56 HydrophobicContact CD1-CG2 3.85Å; L29-V56 HydrophobicContact CG-CG2 4.2Å; L33-V56 HydrophobicContact CD1-CG2 3.8Å; L52-V56 WeakPolarHBondContact O-CG2 3.37Å; L52-V56 PolarHBondContact O-N 3.32Å; N53-V56 PolarHBondContact O-N 3.18Å; N53-V56 VanDerWaalsContact O-N 3.12Å; V56-Q59 PolarHBondContact O-N 3.41Å; V56-I60 HydrophobicContact CG1-CD1 3.83Å; V56-I60 WeakPolarHBondContact O-CD1 3.2Å; V56-I60 VanDerWaalsContact O-CG1 3.25Å; V56-I60 WeakPolarHBondContact O-CG1 3.31Å; V56-I60 PolarHBondContact O-N 2.83Å |
| 57 | V | 87.9 | Confident | 75.8 | Confident | 89 Ų | 89 | 76.2 Ų | 76.2 | 54% | 0.539 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 175.8 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | N53 L54 Q59 I60 S61 | N53-V57 WeakPolarHBondContact O-CG2 3.4Å; N53-V57 PolarHBondContact O-N 2.68Å; L54-V57 PolarHBondContact O-N 3.39Å; V57-Q59 VanDerWaalsContact C-N 3.35Å; V57-Q59 PolarHBondContact O-N 3.18Å; V57-I60 PolarHBondContact O-N 2.97Å; V57-S61 PolarHBondContact O-N 3.49Å |
| 58 | N | 86.1 | Confident | 74.9 | Confident | 82 Ų | 82 | 81.6 Ų | 81.6 | 44% | 0.439 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 176.8 | -71 | 1.9 | 0 | 0 | 0 | 111.2 | L54 Y55 I60 S61 S62 | L54-N58 WeakPolarHBondContact O-CB 3.27Å; L54-N58 PolarHBondContact O-N 3.35Å; L54-N58 PolarHBondContact O-OD1 2.98Å; Y55-N58 PolarHBondContact O-N 3.05Å; N58-I60 PolarHBondContact O-N 3.05Å; N58-S61 WeakPolarHBondContact O-CB 3.41Å; N58-S61 PolarHBondContact O-N 2.93Å; N58-S61 VanDerWaalsContact O-N 3.13Å; N58-S62 PolarHBondContact O-N 3.47Å; N58-S62 PolarHBondContact O-OG 3.38Å |
| 59 | Q | 79.5 | Confident | 73.5 | Confident | 52 Ų | 52 | 83.7 Ų | 83.7 | 24% | 0.243 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 176.6 | -69.2 | -66.5 | 101.1 | 0 | 0 | 112.5 | V38 Y55 V56 V57 S61 S62 M63 | V38-Q59 HydrophobicContact CG1-CG 4Å; V38-Q59 VanDerWaalsContact CG1-NE2 3.31Å; V38-Q59 HydrophobicContact CG2-CB 4.33Å; V38-Q59 HydrophobicContact CG2-CG 4.15Å; V38-Q59 VanDerWaalsContact CG2-NE2 3.33Å; Y55-Q59 HydrophobicContact CD1-CG 4.36Å; Y55-Q59 HydrophobicContact CE1-CG 4.06Å; Y55-Q59 HydrophobicContact CE2-CG 4.24Å; Y55-Q59 WeakPolarHBondContact O-CB 3.16Å; Y55-Q59 VanDerWaalsContact O-CG 3.23Å; Y55-Q59 WeakPolarHBondContact O-CG 3.47Å; Y55-Q59 PolarHBondContact O-N 2.97Å; V56-Q59 PolarHBondContact O-N 3.41Å; V57-Q59 VanDerWaalsContact C-N 3.35Å; V57-Q59 PolarHBondContact O-N 3.18Å; Q59-S61 VanDerWaalsContact C-N 3.3Å; Q59-S61 PolarHBondContact O-N 3.16Å; Q59-S62 PolarHBondContact O-N 2.88Å; Q59-M63 WeakPolarHBondContact O-CB 3.3Å; Q59-M63 VanDerWaalsContact O-CG 3.24Å; Q59-M63 WeakPolarHBondContact O-CG 3.29Å; Q59-M63 PolarHBondContact O-N 3.19Å |
| 60 | I | 81.4 | Confident | 72.1 | Confident | 96 Ų | 96 | 90.8 Ų | 90.8 | 49% | 0.492 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 172.8 | -68.8 | 163.2 | 0 | 0 | 0 | 110.6 | V56 V57 N58 K64 | V56-I60 HydrophobicContact CG1-CD1 3.83Å; V56-I60 WeakPolarHBondContact O-CD1 3.2Å; V56-I60 VanDerWaalsContact O-CG1 3.25Å; V56-I60 WeakPolarHBondContact O-CG1 3.31Å; V56-I60 PolarHBondContact O-N 2.83Å; V57-I60 PolarHBondContact O-N 2.97Å; N58-I60 PolarHBondContact O-N 3.05Å; I60-K64 WeakPolarHBondContact O-CB 3.47Å; I60-K64 PolarHBondContact O-N 3.14Å |
| 61 | S | 77.1 | Confident | 70.6 | Confident | 75 Ų | 75 | 94.3 Ų | 94.3 | 52% | 0.524 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.1 | -49.8 | 176 | -161.7 | 0 | 0 | 0 | 0 | 112 | V57 N58 Q59 M63 K64 E65 | V57-S61 PolarHBondContact O-N 3.49Å; N58-S61 WeakPolarHBondContact O-CB 3.41Å; N58-S61 PolarHBondContact O-N 2.93Å; N58-S61 VanDerWaalsContact O-N 3.13Å; Q59-S61 VanDerWaalsContact C-N 3.3Å; Q59-S61 PolarHBondContact O-N 3.16Å; S61-M63 PolarHBondContact O-N 3.43Å; S61-K64 WeakPolarHBondContact O-CB 3.45Å; S61-K64 PolarHBondContact O-N 3.06Å; S61-K64 VanDerWaalsContact O-N 3.16Å; S61-E65 PolarHBondContact O-N 3Å; S61-E65 VanDerWaalsContact O-N 3.15Å |
| 62 | S | 67.3 | Low | 69.1 | Low | 53 Ų | 53 | 100.4 Ų | 100.4 | 37% | 0.371 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.4 | -33.2 | 178.5 | -57.6 | 0 | 0 | 0 | 0 | 113 | N58 Q59 K64 N66 | N58-S62 PolarHBondContact O-N 3.47Å; N58-S62 PolarHBondContact O-OG 3.38Å; Q59-S62 PolarHBondContact O-N 2.88Å; S62-K64 VanDerWaalsContact C-N 3.33Å; S62-N66 VanDerWaalsContact O-CG 3.28Å; S62-N66 PolarHBondContact O-N 3.48Å; S62-N66 PolarHBondContact O-ND2 3.15Å |
| 63 | M | 65.2 | Low | 68 | Low | 92 Ų | 92 | 106 Ų | 106 | 45% | 0.453 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.1 | -32.7 | 172 | -74 | -175.9 | 75.4 | 0 | 0 | 112.3 | L36 Q59 S61 S67 | L36-M63 HydrophobicContact CD2-SD 4.35Å; Q59-M63 WeakPolarHBondContact O-CB 3.3Å; Q59-M63 VanDerWaalsContact O-CG 3.24Å; Q59-M63 WeakPolarHBondContact O-CG 3.29Å; Q59-M63 PolarHBondContact O-N 3.19Å; S61-M63 PolarHBondContact O-N 3.43Å; M63-S67 VanDerWaalsContact O-CB 3.28Å; M63-S67 WeakPolarHBondContact O-CB 3.45Å; M63-S67 PolarHBondContact O-N 3.38Å; M63-S67 PolarHBondContact O-OG 3.25Å |
| 64 | K | 64.8 | Low | 66.7 | Low | 135 Ų | 135 | 108.8 Ų | 108.8 | 59% | 0.587 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65 | -49.9 | 175.1 | -171.7 | -174 | 172.5 | -165.8 | 0 | 111 | I60 S61 S62 N66 S67 E68 | I60-K64 WeakPolarHBondContact O-CB 3.47Å; I60-K64 PolarHBondContact O-N 3.14Å; S61-K64 WeakPolarHBondContact O-CB 3.45Å; S61-K64 PolarHBondContact O-N 3.06Å; S61-K64 VanDerWaalsContact O-N 3.16Å; S62-K64 VanDerWaalsContact C-N 3.33Å; K64-N66 VanDerWaalsContact C-N 3.33Å; K64-N66 PolarHBondContact O-N 3.47Å; K64-S67 PolarHBondContact O-N 3.48Å; K64-S67 PolarHBondContact O-OG 3.12Å; K64-E68 PolarHBondContact O-N 3.32Å |
| 65 | E | 56.9 | Low | 65.5 | Low | 140 Ų | 140 | 111.4 Ų | 111.4 | 65% | 0.654 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -58.4 | -43.4 | 179.2 | -169 | 170.9 | -172.6 | 0 | 0 | 112.2 | S61 | S61-E65 PolarHBondContact O-N 3Å; S61-E65 VanDerWaalsContact O-N 3.15Å |
| 66 | N | 51.8 | Low | 64.6 | Low | 118 Ų | 118 | 113.7 Ų | 113.7 | 63% | 0.631 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -75.3 | -32.1 | -178.1 | -65 | -11.4 | 0 | 0 | 0 | 113.5 | S62 K64 T69 | S62-N66 VanDerWaalsContact O-CG 3.28Å; S62-N66 PolarHBondContact O-N 3.48Å; S62-N66 PolarHBondContact O-ND2 3.15Å; K64-N66 VanDerWaalsContact C-N 3.33Å; K64-N66 PolarHBondContact O-N 3.47Å; N66-T69 PolarHBondContact O-OG1 3.04Å |
| 67 | S | 49.4 | Very low | 63.3 | Low | 80 Ų | 80 | 115 Ų | 115 | 56% | 0.559 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -84.3 | -10.3 | -179.3 | 60.7 | 0 | 0 | 0 | 0 | 114.6 | M63 K64 T69 | M63-S67 VanDerWaalsContact O-CB 3.28Å; M63-S67 WeakPolarHBondContact O-CB 3.45Å; M63-S67 PolarHBondContact O-N 3.38Å; M63-S67 PolarHBondContact O-OG 3.25Å; K64-S67 PolarHBondContact O-N 3.48Å; K64-S67 PolarHBondContact O-OG 3.12Å; S67-T69 PolarHBondContact O-N 3.18Å |
| 68 | E | 51.7 | Low | 62.3 | Low | 150 Ų | 150 | 119.5 Ų | 119.5 | 70% | 0.701 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -11.3 | 172.5 | -157.5 | 143.2 | -146.2 | 0 | 0 | 111.9 | K64 | K64-E68 PolarHBondContact O-N 3.32Š|
| 69 | T | 49.7 | Very low | 61.2 | Low | 98 Ų | 98 | 121.8 Ų | 121.8 | 60% | 0.601 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -88.6 | 135.4 | 167.1 | 71.1 | 0 | 0 | 0 | 0 | 111.8 | N66 S67 K71 | N66-T69 PolarHBondContact O-OG1 3.04Å; S67-T69 PolarHBondContact O-N 3.18Å; T69-K71 PolarHBondContact O-N 2.93Å |
| 70 | M | 50.6 | Low | 60 | Low | 189 Ų | 189 | 127.9 Ų | 127.9 | 93% | 0.931 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 74.1 | -12.1 | 173.8 | -48.3 | -162.7 | 87 | 0 | 0 | 120.2 | R72 | M70-R72 VanDerWaalsContact C-N 3.33Å; M70-R72 PolarHBondContact O-N 3.29Å |
| 71 | K | 54.2 | Low | 58.5 | Low | 191 Ų | 191 | 130.4 Ų | 130.4 | 83% | 0.83 | 67% | 0.668 | S | S | * | * | | | trans | -88.2 | 73.6 | 160.1 | -78.2 | -171.1 | 179.5 | 179.1 | 0 | 111 | T69 | T69-K71 PolarHBondContact O-N 2.93Š|
| 72 | R | 56 | Low | 57.5 | Low | 223 Ų | 223 | 134 Ų | 134 | 84% | 0.842 | 68% | 0.68 | S | S | * | * | | | trans | -46.5 | 137.8 | 159.5 | -92.6 | -173.3 | 169.2 | -177 | -3.1 | 107.9 | M70 T74 | M70-R72 VanDerWaalsContact C-N 3.33Å; M70-R72 PolarHBondContact O-N 3.29Å; R72-T74 PolarHBondContact O-N 3.19Å |
| 73 | P | 58.6 | Low | 57 | Low | 125 Ų | 125 | 140.7 Ų | 140.7 | 81% | 0.812 | 70% | 0.703 | S | S | * | * | | | trans | -54.1 | 108.2 | 170 | -23.2 | 32.8 | 0 | 0 | 0 | 108 | H75 | P73-H75 VanDerWaalsContact C-N 3.26Å; P73-H75 PolarHBondContact O-N 3.24Å |
| 74 | T | 58.1 | Low | 56.9 | Low | 126 Ų | 126 | 140.4 Ų | 140.4 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | | | trans | -65.6 | 99.6 | 171.3 | -61 | 0 | 0 | 0 | 0 | 104.9 | R72 V76 | R72-T74 PolarHBondContact O-N 3.19Å; T74-V76 PolarHBondContact O-N 2.97Å |
| 75 | H | 63.4 | Low | 56.2 | Low | 150 Ų | 150 | 138.9 Ų | 138.9 | 69% | 0.694 | 71% | 0.71 | S | S | * | * | | | trans | -62.8 | 92.4 | 171.6 | 175 | -79.2 | 0 | 0 | 0 | 106.6 | P73 N77 | P73-H75 VanDerWaalsContact C-N 3.26Å; P73-H75 PolarHBondContact O-N 3.24Å; H75-N77 VanDerWaalsContact C-N 3.25Å; H75-N77 PolarHBondContact O-N 3.47Å |
| 76 | V | 63.8 | Low | 56.1 | Low | 109 Ų | 109 | 139.8 Ų | 139.8 | 66% | 0.661 | 72% | 0.718 | S | S | * | * | | | trans | -64 | 96.7 | 173.7 | -179.3 | 0 | 0 | 0 | 0 | 105.4 | T74 M78 | T74-V76 PolarHBondContact O-N 2.97Å; V76-M78 VanDerWaalsContact C-N 3.28Å; V76-M78 PolarHBondContact O-N 3.45Å |
| 77 | N | 56.3 | Low | 56.2 | Low | 43 Ų | 43 | 142.8 Ų | 142.8 | 23% | 0.23 | 72% | 0.721 | C | S | . | * | | | trans | -70.6 | 92.8 | 178.5 | -175.1 | -39.8 | 0 | 0 | 0 | 107.1 | H75 T79 R80 | H75-N77 VanDerWaalsContact C-N 3.25Å; H75-N77 PolarHBondContact O-N 3.47Å; N77-T79 PolarHBondContact O-N 3.33Å; N77-T79 WeakPolarHBondContact OD1-CA 3.3Å; N77-T79 PolarHBondContact OD1-N 2.87Å; N77-T79 PolarHBondContact OD1-OG1 3.44Å; N77-R80 HydrophobicContact CB-CB 4.12Å; N77-R80 HydrophobicContact CB-CG 4.02Å; N77-R80 PolarHBondContact ND2-NE 2.92Å; N77-R80 PolarHBondContact O-N 3.28Å; N77-R80 PolarHBondContact OD1-N 2.89Å |
| 78 | M | 66.2 | Low | 56.6 | Low | 182 Ų | 182 | 148.4 Ų | 148.4 | 90% | 0.897 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -5.7 | 178.2 | -66.9 | -169.8 | -76.5 | 0 | 0 | 113.1 | V76 | V76-M78 VanDerWaalsContact C-N 3.28Å; V76-M78 PolarHBondContact O-N 3.45Å |
| 79 | T | 62.7 | Low | 57 | Low | 131 Ų | 131 | 147.1 Ų | 147.1 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | 7.8 | 176.3 | 45.4 | 0 | 0 | 0 | 0 | 114.1 | N77 | N77-T79 PolarHBondContact O-N 3.33Å; N77-T79 WeakPolarHBondContact OD1-CA 3.3Å; N77-T79 PolarHBondContact OD1-N 2.87Å; N77-T79 PolarHBondContact OD1-OG1 3.44Å |
| 80 | R | 54.8 | Low | 57.5 | Low | 180 Ų | 180 | 149.4 Ų | 149.4 | 68% | 0.679 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -96.5 | 101.4 | 172.8 | -87.8 | 179.2 | -168.6 | 170.6 | 2.3 | 112.3 | N77 L82 | N77-R80 HydrophobicContact CB-CB 4.12Å; N77-R80 HydrophobicContact CB-CG 4.02Å; N77-R80 PolarHBondContact ND2-NE 2.92Å; N77-R80 PolarHBondContact O-N 3.28Å; N77-R80 PolarHBondContact OD1-N 2.89Å; R80-L82 PolarHBondContact O-N 3.46Å |
| 81 | D | 49.8 | Very low | 58.2 | Low | 148 Ų | 148 | 148 Ų | 148 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | | | trans | 48.9 | 18.6 | 145.1 | -55.9 | -47.9 | 0 | 0 | 0 | 119.6 | K83 | D81-K83 PolarHBondContact O-N 3.48Š|
| 82 | L | 56.3 | Low | 59.1 | Low | 150 Ų | 150 | 147.6 Ų | 147.6 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | | | trans | -64.5 | 83 | 153.4 | -82.9 | 172 | 0 | 0 | 0 | 108.5 | R80 V84 | R80-L82 PolarHBondContact O-N 3.46Å; L82-V84 HydrophobicContact CB-CG2 4.22Å; L82-V84 HydrophobicContact CD2-CG2 4.14Å; L82-V84 PolarHBondContact O-N 3.13Å |
| 83 | K | 57.4 | Low | 60.1 | Low | 195 Ų | 195 | 144 Ų | 144 | 85% | 0.848 | 73% | 0.731 | S | S | * | * | | | trans | -64.8 | 50.6 | 150 | -70.3 | -178.9 | 179.5 | 172.1 | 0 | 109.9 | D81 P85 | D81-K83 PolarHBondContact O-N 3.48Å; K83-P85 VanDerWaalsContact O-CD 3.28Å; K83-P85 WeakPolarHBondContact O-CD 3.36Å |
| 84 | V | 61.5 | Low | 61.1 | Low | 86 Ų | 86 | 143.6 Ų | 143.6 | 52% | 0.521 | 73% | 0.728 | S | S | . | * | | | trans | -56.5 | 120.6 | 146.1 | 174.4 | 0 | 0 | 0 | 0 | 103.8 | L82 L86 | L82-V84 HydrophobicContact CB-CG2 4.22Å; L82-V84 HydrophobicContact CD2-CG2 4.14Å; L82-V84 PolarHBondContact O-N 3.13Å; V84-L86 PolarHBondContact O-N 2.95Å |
| 85 | P | 51.7 | Low | 61.9 | Low | 103 Ų | 103 | 145.3 Ų | 145.3 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | | | trans | -66.7 | 91.8 | 169 | 28.9 | -32.1 | 0 | 0 | 0 | 106.3 | K83 R87 | K83-P85 VanDerWaalsContact O-CD 3.28Å; K83-P85 WeakPolarHBondContact O-CD 3.36Å; P85-R87 HydrophobicContact CB-CG 4.32Å; P85-R87 PolarHBondContact O-N 3.4Å |
| 86 | L | 53.9 | Low | 62.4 | Low | 158 Ų | 158 | 143 Ų | 143 | 83% | 0.827 | 73% | 0.73 | S | S | * | * | | | trans | -61.3 | 69.1 | 150.2 | -71.4 | 174.1 | 0 | 0 | 0 | 106.5 | V84 K88 | V84-L86 PolarHBondContact O-N 2.95Å; L86-K88 PolarHBondContact O-N 2.99Å; L86-K88 VanDerWaalsContact O-N 3.11Å |
| 87 | R | 53.9 | Low | 62.9 | Low | 181 Ų | 181 | 143.3 Ų | 143.3 | 68% | 0.683 | 73% | 0.734 | S | S | * | * | | | trans | -51.6 | 121.8 | 155 | -68.1 | -170 | 179.7 | -177.1 | 0.7 | 103.7 | P85 H89 | P85-R87 HydrophobicContact CB-CG 4.32Å; P85-R87 PolarHBondContact O-N 3.4Å; R87-H89 WeakPolarHBondContact CD-NE2 3.44Å; R87-H89 PolarHBondContact NH1-NE2 2.89Å; R87-H89 PolarHBondContact O-N 3.47Å |
| 88 | K | 58 | Low | 63.3 | Low | 199 Ų | 199 | 149.1 Ų | 149.1 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | | | trans | -67.9 | 66.8 | 165.3 | -64.3 | 176.6 | 177.6 | -178.9 | 0 | 107.5 | L86 | L86-K88 PolarHBondContact O-N 2.99Å; L86-K88 VanDerWaalsContact O-N 3.11Å |
| 89 | H | 60.6 | Low | 63.1 | Low | 122 Ų | 122 | 146 Ų | 146 | 57% | 0.565 | 76% | 0.755 | S | S | * | * | | | trans | -79.8 | 110.7 | 153.1 | -65.7 | -33.7 | 0 | 0 | 0 | 103 | R87 L91 | R87-H89 WeakPolarHBondContact CD-NE2 3.44Å; R87-H89 PolarHBondContact NH1-NE2 2.89Å; R87-H89 PolarHBondContact O-N 3.47Å; H89-L91 PolarHBondContact O-N 2.93Å |
| 90 | D | 60.7 | Low | 63.5 | Low | 146 Ų | 146 | 145.6 Ų | 145.6 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | | | trans | -52.2 | 113.7 | 168.4 | -59.9 | -59.6 | 0 | 0 | 0 | 106.2 | E92 | D90-E92 PolarHBondContact O-N 3.33Š|
| 91 | L | 65.4 | Low | 64.3 | Low | 160 Ų | 160 | 142.3 Ų | 142.3 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | | | trans | -71.1 | 85.4 | 174.9 | -77.3 | 167.1 | 0 | 0 | 0 | 105.7 | H89 L93 | H89-L91 PolarHBondContact O-N 2.93Å; L91-L93 PolarHBondContact O-N 3.46Å |
| 92 | E | 72.9 | Confident | 65.1 | Low | 183 Ų | 183 | 139.5 Ų | 139.5 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | | | trans | -57.5 | 91.7 | 161.8 | -76 | -165.2 | 145.4 | 0 | 0 | 106.8 | D90 | D90-E92 PolarHBondContact O-N 3.33Š|
| 93 | L | 76.9 | Confident | 65.6 | Low | 147 Ų | 147 | 142 Ų | 142 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 128.7 | 166.3 | -66.8 | 173.9 | 0 | 0 | 0 | 105.9 | L91 M95 | L91-L93 PolarHBondContact O-N 3.46Å; L93-M95 PolarHBondContact O-N 2.93Å |
| 94 | P | 78.2 | Confident | 66 | Low | 117 Ų | 117 | 139.5 Ų | 139.5 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 124.2 | 173.7 | 23.8 | -32.7 | 0 | 0 | 0 | 106.9 | S96 | P94-S96 PolarHBondContact O-N 3.43Å; P94-S96 VanDerWaalsContact O-N 3.15Å |
| 95 | M | 75 | Confident | 65.7 | Low | 162 Ų | 162 | 139.3 Ų | 139.3 | 80% | 0.798 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 129.9 | 178.6 | -70.9 | -155.5 | -58 | 0 | 0 | 108 | L93 P97 | L93-M95 PolarHBondContact O-N 2.93Å; M95-P97 VanDerWaalsContact O-N 3.14Å |
| 96 | S | 74.1 | Confident | 66.3 | Low | 100 Ų | 100 | 141.6 Ų | 141.6 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 127.6 | 175.6 | -55.2 | 0 | 0 | 0 | 0 | 107.7 | P94 H98 | P94-S96 PolarHBondContact O-N 3.43Å; P94-S96 VanDerWaalsContact O-N 3.15Å; S96-H98 PolarHBondContact O-N 3.45Å; S96-H98 VanDerWaalsContact O-N 3.1Å |
| 97 | P | 73.9 | Confident | 66.6 | Low | 116 Ų | 116 | 140.6 Ų | 140.6 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 126.7 | -175.3 | 21.6 | -33 | 0 | 0 | 0 | 107.6 | M95 C99 | M95-P97 VanDerWaalsContact O-N 3.14Å; P97-C99 PolarHBondContact O-N 3.19Å |
| 98 | H | 65.4 | Low | 66.7 | Low | 165 Ų | 165 | 139.5 Ų | 139.5 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | | | trans | -44.4 | 116.3 | -172.6 | -84.7 | -63.4 | 0 | 0 | 0 | 109.2 | S96 V100 | S96-H98 PolarHBondContact O-N 3.45Å; S96-H98 VanDerWaalsContact O-N 3.1Å; H98-V100 PolarHBondContact O-N 3.11Å |
| 99 | C | 63.1 | Low | 66.6 | Low | 117 Ų | 117 | 138.4 Ų | 138.4 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | | | trans | -65.7 | 83.5 | 177 | -64.1 | 0 | 0 | 0 | 0 | 107.9 | P97 P101 | P97-C99 PolarHBondContact O-N 3.19Å; C99-P101 WeakPolarHBondContact O-CD 3.5Å; C99-P101 VanDerWaalsContact O-N 3.11Å |
| 100 | V | 71 | Confident | 66.3 | Low | 123 Ų | 123 | 141.5 Ų | 141.5 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | | | trans | -58.9 | 113.1 | 165.5 | 178 | 0 | 0 | 0 | 0 | 104.7 | H98 S102 | H98-V100 PolarHBondContact O-N 3.11Å; V100-S102 PolarHBondContact O-N 3.37Å |
| 101 | P | 70.7 | Confident | 65.8 | Low | 111 Ų | 111 | 142 Ų | 142 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | | | trans | -60.9 | 117.4 | 178 | -19 | 32.5 | 0 | 0 | 0 | 106.5 | C99 K103 | C99-P101 WeakPolarHBondContact O-CD 3.5Å; C99-P101 VanDerWaalsContact O-N 3.11Å; P101-K103 PolarHBondContact O-N 3.33Å |
| 102 | S | 67.4 | Low | 64.9 | Low | 89 Ų | 89 | 139.5 Ų | 139.5 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | | | trans | -59 | 125.3 | 170.2 | 44.6 | 0 | 0 | 0 | 0 | 106.6 | V100 L104 | V100-S102 PolarHBondContact O-N 3.37Å; S102-L104 PolarHBondContact O-N 2.94Å |
| 103 | K | 65.7 | Low | 63.5 | Low | 202 Ų | 202 | 135.9 Ų | 135.9 | 88% | 0.878 | 76% | 0.758 | S | S | * | * | | | trans | -73.2 | 41 | 170 | -67.5 | -166.4 | 175.6 | -170.1 | 0 | 111.3 | P101 C105 | P101-K103 PolarHBondContact O-N 3.33Å; K103-C105 PolarHBondContact O-N 3.23Å |
| 104 | L | 65.4 | Low | 62 | Low | 142 Ų | 142 | 133.8 Ų | 133.8 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | | | trans | -78.2 | 71.3 | 161.8 | -68.6 | 173.2 | 0 | 0 | 0 | 106.4 | S102 I106 | S102-L104 PolarHBondContact O-N 2.94Å; L104-I106 PolarHBondContact O-N 3.26Å |
| 105 | C | 56.6 | Low | 60.4 | Low | 82 Ų | 82 | 137.7 Ų | 137.7 | 55% | 0.554 | 76% | 0.755 | S | S | * | * | | | trans | -55.7 | 123.6 | 159.5 | 43.6 | 0 | 0 | 0 | 0 | 107.2 | K103 D107 | K103-C105 PolarHBondContact O-N 3.23Å; C105-D107 HydrophobicContact CB-CB 4.17Å; C105-D107 WeakPolarHBondContact CB-OD2 3.48Å; C105-D107 PolarHBondContact O-N 3.49Å |
| 106 | I | 63.4 | Low | 58.9 | Low | 152 Ų | 152 | 137.8 Ų | 137.8 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | | | trans | -78.8 | 5.7 | 171.6 | -64.2 | 172.2 | 0 | 0 | 0 | 109.6 | L104 D108 | L104-I106 PolarHBondContact O-N 3.26Å; I106-D108 PolarHBondContact O-N 3.03Å |
| 107 | D | 60.8 | Low | 57.4 | Low | 137 Ų | 137 | 142.2 Ų | 142.2 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 39.8 | 177.7 | -46.9 | -44.5 | 0 | 0 | 0 | 113.4 | C105 M109 | C105-D107 HydrophobicContact CB-CB 4.17Å; C105-D107 WeakPolarHBondContact CB-OD2 3.48Å; C105-D107 PolarHBondContact O-N 3.49Å; D107-M109 VanDerWaalsContact C-N 3.27Å |
| 108 | D | 55.2 | Low | 55.9 | Low | 157 Ų | 157 | 143.1 Ų | 143.1 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 7.4 | 155.6 | -84 | -27.2 | 0 | 0 | 0 | 110.7 | I106 E110 | I106-D108 PolarHBondContact O-N 3.03Å; D108-E110 PolarHBondContact O-N 2.81Å; D108-E110 VanDerWaalsContact O-N 3.09Å |
| 109 | M | 56.1 | Low | 54.7 | Low | 176 Ų | 176 | 146.1 Ų | 146.1 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | | | trans | -83.9 | 35.8 | -178.9 | -146.7 | -167.8 | 78.9 | 0 | 0 | 113.6 | D107 | D107-M109 VanDerWaalsContact C-N 3.27Š|
| 110 | E | 54.4 | Low | 54 | Low | 187 Ų | 187 | 144.5 Ų | 144.5 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | | | trans | -139.1 | 37.9 | -176.8 | -121.8 | 176.9 | -146.8 | 0 | 0 | 114 | D108 | D108-E110 PolarHBondContact O-N 2.81Å; D108-E110 VanDerWaalsContact O-N 3.09Å |
| 111 | D | 51.2 | Low | 52.7 | Low | 158 Ų | 158 | 147.1 Ų | 147.1 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | | | trans | -110.9 | 81.4 | 156.7 | -135.1 | -13.1 | 0 | 0 | 0 | 109.9 | V113 | D111-V113 PolarHBondContact O-N 3.12Å; D111-V113 VanDerWaalsContact O-N 3.11Å |
| 112 | S | 46.2 | Very low | 51.4 | Low | 106 Ų | 106 | 151.4 Ų | 151.4 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | | | trans | -71.6 | 100 | -174.6 | 59.2 | 0 | 0 | 0 | 0 | 112 | | |
| 113 | V | 42.5 | Very low | 50.1 | Low | 107 Ų | 107 | 154.2 Ų | 154.2 | 65% | 0.648 | 76% | 0.763 | S | S | * | * | | | trans | -112.6 | 97.4 | 153.6 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | D111 Y115 | D111-V113 PolarHBondContact O-N 3.12Å; D111-V113 VanDerWaalsContact O-N 3.11Å; V113-Y115 HydrophobicContact CG1-CD2 3.99Å; V113-Y115 HydrophobicContact CG1-CE2 4.11Å; V113-Y115 PolarHBondContact O-N 3.31Å |
| 114 | P | 46.7 | Very low | 49.2 | Very low | 103 Ų | 103 | 151.6 Ų | 151.6 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | | | trans | -66.1 | 105.5 | 165.2 | 28.2 | -31.2 | 0 | 0 | 0 | 107.4 | Q116 | P114-Q116 PolarHBondContact O-N 3.39Š|
| 115 | Y | 43.9 | Very low | 47.9 | Very low | 200 Ų | 200 | 148.2 Ų | 148.2 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | | | trans | -71.2 | 63.4 | 160.5 | -99.9 | -78.8 | 0 | 0 | 0 | 109.5 | V113 R117 | V113-Y115 HydrophobicContact CG1-CD2 3.99Å; V113-Y115 HydrophobicContact CG1-CE2 4.11Å; V113-Y115 PolarHBondContact O-N 3.31Å; Y115-R117 PolarHBondContact O-N 3.42Å |
| 116 | Q | 44.3 | Very low | 47 | Very low | 164 Ų | 164 | 150.6 Ų | 150.6 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | | | trans | -68.6 | 76.8 | 161.6 | -169 | 172.4 | 30.8 | 0 | 0 | 106.7 | P114 I118 | P114-Q116 PolarHBondContact O-N 3.39Å; Q116-I118 PolarHBondContact O-N 2.87Å |
| 117 | R | 42.1 | Very low | 46.2 | Very low | 193 Ų | 193 | 150.3 Ų | 150.3 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | | | trans | -66 | 106.5 | 172.4 | -177.5 | 171 | -69.2 | 178.1 | 1.1 | 107.2 | Y115 Y119 | Y115-R117 PolarHBondContact O-N 3.42Å; R117-Y119 PolarHBondContact O-N 3.34Å |
| 118 | I | 42.1 | Very low | 45.4 | Very low | 135 Ų | 135 | 151.9 Ų | 151.9 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | | | trans | -57.3 | 99.1 | -175.9 | -59.6 | 162.8 | 0 | 0 | 0 | 109.6 | Q116 S120 | Q116-I118 PolarHBondContact O-N 2.87Å; I118-S120 WeakPolarHBondContact CG2-OG 3.25Å |
| 119 | Y | 41 | Very low | 44.7 | Very low | 227 Ų | 227 | 149.9 Ų | 149.9 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | | | trans | -94.4 | 97.9 | 150.7 | -83.5 | -85.8 | 0 | 0 | 0 | 106.5 | R117 | R117-Y119 PolarHBondContact O-N 3.34Š|
| 120 | S | 47.2 | Very low | 44.1 | Very low | 84 Ų | 84 | 146.2 Ų | 146.2 | 59% | 0.587 | 78% | 0.776 | S | S | * | * | | | trans | -144.1 | 129.4 | 175.2 | 70.4 | 0 | 0 | 0 | 0 | 111.6 | I118 | I118-S120 WeakPolarHBondContact CG2-OG 3.25Š|
| 121 | K | 44.4 | Very low | 43.4 | Very low | 177 Ų | 177 | 146.4 Ų | 146.4 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | 65.4 | 93.5 | 165.4 | -57.9 | -171 | 171.8 | -158.2 | 0 | 116.4 | | |
| 122 | E | 42.6 | Very low | 43.2 | Very low | 202 Ų | 202 | 145.9 Ų | 145.9 | 94% | 0.944 | 77% | 0.774 | S | S | * | * | | | | -111.9 | 147.5 | 113.4 | -161.3 | 156.4 | -155.2 | 0 | 0 | 108.1 | | |
| 123 | E | 41.1 | Very low | 43.1 | Very low | 148 Ų | 148 | 148.2 Ų | 148.2 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | trans | -129.1 | 115.3 | -152.7 | 174.4 | -178.7 | 147.2 | 0 | 0 | 110.3 | | |
| 124 | T | 45.6 | Very low | 43.2 | Very low | 146 Ų | 146 | 151.3 Ų | 151.3 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | | | trans | -163.3 | 114.8 | 161.7 | -4.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 125 | G | 39.1 | Very low | 42.9 | Very low | 72 Ų | 72 | 151.1 Ų | 151.1 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | 76.1 | 104.5 | 145.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 126 | P | 38.2 | Very low | 42.8 | Very low | 131 Ų | 131 | 152.9 Ų | 152.9 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | trans | -91.6 | 141.9 | 167.2 | 35.3 | -30.9 | 0 | 0 | 0 | 112.6 | | |
| 127 | V | 45.3 | Very low | 42.5 | Very low | 146 Ų | 146 | 156.2 Ų | 156.2 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | | | trans | -129.2 | 147.7 | 164.3 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 128 | Q | 43.8 | Very low | 42.5 | Very low | 171 Ų | 171 | 154 Ų | 154 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | | | trans | -88.3 | 166.8 | -155.8 | -60.3 | 158 | -51.3 | 0 | 0 | 115.1 | | |
| 129 | S | 41.4 | Very low | 42.3 | Very low | 115 Ų | 115 | 155.6 Ų | 155.6 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | 70.6 | 149.2 | 147 | 66.6 | 0 | 0 | 0 | 0 | 118.6 | | |
| 130 | S | 42.3 | Very low | 42.2 | Very low | 98 Ų | 98 | 152.1 Ų | 152.1 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | | | cis | -165.2 | 152.2 | -14.2 | 44 | 0 | 0 | 0 | 0 | 110 | | |
| 131 | Q | 40.4 | Very low | 42 | Very low | 191 Ų | 191 | 157 Ų | 157 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | | | trans | 27.5 | 120.4 | 151.7 | -66.7 | 174.2 | -34.1 | 0 | 0 | 120 | | |
| 132 | D | 48.2 | Very low | 41.8 | Very low | 148 Ų | 148 | 154.9 Ų | 154.9 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | | -142.8 | 150.9 | 129 | -158.5 | 2.1 | 0 | 0 | 0 | 110.9 | | |
| 133 | M | 43.3 | Very low | 42 | Very low | 154 Ų | 154 | 148.9 Ų | 148.9 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | | | trans | -103.4 | 147.9 | -177.8 | -72.9 | -161.9 | 80.1 | 0 | 0 | 112.3 | | |
| 134 | K | 45.1 | Very low | 41.9 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | | | trans | 168.1 | 94.1 | 141.1 | -86.1 | 139.1 | -154.4 | 153.4 | 0 | 107.6 | | |
| 135 | S | 39.3 | Very low | 41.6 | Very low | 98 Ų | 98 | 148.3 Ų | 148.3 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | | | | 66.3 | 84.6 | 75.4 | -173.3 | 0 | 0 | 0 | 0 | 115 | | |
| 136 | Y | 42.5 | Very low | 41.4 | Very low | 237 Ų | 237 | 150.1 Ų | 150.1 | 93% | 0.929 | 81% | 0.806 | S | S | * | * | | | trans | -135.3 | 111 | 144.5 | -66.8 | -78.5 | 0 | 0 | 0 | 108.9 | | |
| 137 | R | 38.5 | Very low | 41.7 | Very low | 234 Ų | 234 | 154.7 Ų | 154.7 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | | | trans | -141.7 | 178.4 | 172.5 | -160.6 | -163.8 | -84.4 | -113.9 | 2.6 | 106.2 | | |
| 138 | M | 41.9 | Very low | 41.7 | Very low | 146 Ų | 146 | 154.8 Ų | 154.8 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | | | trans | 88.9 | 136.9 | 177.3 | -44.1 | -163.9 | -67.2 | 0 | 0 | 112.6 | | |
| 139 | F | 37.4 | Very low | 41.7 | Very low | 170 Ų | 170 | 151.6 Ų | 151.6 | 75% | 0.746 | 80% | 0.796 | S | S | * | * | | | cis | -132.2 | 150.8 | 9.9 | -80.9 | -84.5 | 0 | 0 | 0 | 113.5 | | |
| 140 | N | 38.9 | Very low | 42.4 | Very low | 153 Ų | 153 | 151.7 Ų | 151.7 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -103 | 140.4 | 157.4 | -68.3 | -24.1 | 0 | 0 | 0 | 108.1 | | |
| 141 | E | 43.6 | Very low | 42.1 | Very low | 188 Ų | 188 | 152.4 Ų | 152.4 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | | | trans | -128.1 | 99.3 | 156 | -71 | -173.7 | 127.2 | 0 | 0 | 106.4 | | |
| 142 | T | 39.8 | Very low | 41.9 | Very low | 132 Ų | 132 | 152.5 Ų | 152.5 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | | | | 65.4 | 79.2 | 83 | -52.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 143 | G | 47.3 | Very low | 41.7 | Very low | 76 Ų | 76 | 150.2 Ų | 150.2 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | | | trans | -134.1 | 120.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 144 | N | 38.1 | Very low | 41.7 | Very low | 155 Ų | 155 | 150 Ų | 150 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | | | trans | -71.8 | 130.6 | -169 | -63.5 | -38.3 | 0 | 0 | 0 | 113.3 | | |
| 145 | C | 39.1 | Very low | 41.4 | Very low | 127 Ų | 127 | 149.6 Ų | 149.6 | 86% | 0.858 | 79% | 0.788 | S | S | * | * | | | trans | -159.8 | 116.4 | 146.8 | -103.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 146 | S | 36 | Very low | 41.4 | Very low | 110 Ų | 110 | 153.4 Ų | 153.4 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | trans | -89.7 | 126.5 | 172.6 | 54.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 147 | Y | 43 | Very low | 41.1 | Very low | 227 Ų | 227 | 153 Ų | 153 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | | | trans | -129.5 | 122.5 | 160.3 | -106.2 | -91.4 | 0 | 0 | 0 | 110.3 | | |
| 148 | I | 45.3 | Very low | 41.1 | Very low | 147 Ų | 147 | 146.9 Ų | 146.9 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | | | trans | -85.2 | 134.4 | -179.3 | -62.9 | 168.4 | 0 | 0 | 0 | 108 | | |
| 149 | P | 44.8 | Very low | 40.8 | Very low | 105 Ų | 105 | 146.2 Ų | 146.2 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | | | trans | -71.2 | 131.9 | 173.1 | 29.5 | -33.2 | 0 | 0 | 0 | 110.1 | S151 | P149-S151 PolarHBondContact O-N 2.97Š|
| 150 | P | 54.9 | Low | 41.3 | Very low | 116 Ų | 116 | 150 Ų | 150 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | | | trans | -78.2 | 103.5 | 179.7 | 30.5 | -33 | 0 | 0 | 0 | 111 | | |
| 151 | S | 37.3 | Very low | 41.3 | Very low | 113 Ų | 113 | 151.3 Ų | 151.3 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | | | trans | -85.6 | 121.9 | 159.3 | 39.5 | 0 | 0 | 0 | 0 | 109.8 | P149 | P149-S151 PolarHBondContact O-N 2.97Š|
| 152 | F | 35.2 | Very low | 41.3 | Very low | 193 Ų | 193 | 150.2 Ų | 150.2 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | -124.7 | 134.7 | 166.1 | -86.2 | -78.2 | 0 | 0 | 0 | 109.5 | | |
| 153 | P | 44.9 | Very low | 41.2 | Very low | 100 Ų | 100 | 155.5 Ų | 155.5 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | | | trans | -107.8 | -169.9 | -167.6 | 43.4 | -38.1 | 0 | 0 | 0 | 113.9 | | |
| 154 | E | 42.9 | Very low | 40.8 | Very low | 151 Ų | 151 | 157.2 Ų | 157.2 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | | | trans | 76.7 | 110.2 | 156.5 | -108.9 | 60.1 | -110.4 | 0 | 0 | 119.9 | | |
| 155 | E | 37.9 | Very low | 41.1 | Very low | 164 Ų | 164 | 158 Ų | 158 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | | | trans | 39.2 | 123 | 134.5 | -59.5 | -166.3 | 128.3 | 0 | 0 | 121.2 | | |
| 156 | L | 39.7 | Very low | 40.8 | Very low | 178 Ų | 178 | 160.3 Ų | 160.3 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | | | | -154.7 | 134.4 | 114 | -106.1 | 175.1 | 0 | 0 | 0 | 111.5 | | |
| 157 | R | 37.5 | Very low | 41 | Very low | 229 Ų | 229 | 160.8 Ų | 160.8 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | -86.4 | 158.7 | 180 | -75 | 179 | 167.8 | 171.9 | -2.7 | 112.6 | | |
| 158 | S | 37.6 | Very low | 40.9 | Very low | 104 Ų | 104 | 155.7 Ų | 155.7 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | 108.5 | 116.4 | 130.8 | -147.7 | 0 | 0 | 0 | 0 | 119 | | |
| 159 | N | 35.3 | Very low | 40.7 | Very low | 132 Ų | 132 | 154.2 Ų | 154.2 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | | | trans | 61.8 | 106.5 | 140.9 | -107.4 | -39.3 | 0 | 0 | 0 | 120.9 | | |
| 160 | R | 48.5 | Very low | 40.4 | Very low | 249 Ų | 249 | 160.8 Ų | 160.8 | 94% | 0.94 | 81% | 0.806 | S | S | * | * | | | | -158.9 | 131.5 | 118.1 | -109.2 | 169.7 | -122.6 | -161.2 | 0.1 | 111.7 | | |
| 161 | H | 39.2 | Very low | 39.8 | Very low | 182 Ų | 182 | 162.8 Ų | 162.8 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -62.9 | 130.7 | 172.5 | -80.1 | -34.9 | 0 | 0 | 0 | 112 | | |
| 162 | I | 43.4 | Very low | 40 | Very low | 165 Ų | 165 | 160.4 Ų | 160.4 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -133.3 | 121.4 | 143.7 | -60.2 | -176.4 | 0 | 0 | 0 | 108.2 | | |
| 163 | R | 36.6 | Very low | 40.5 | Very low | 242 Ų | 242 | 157.2 Ų | 157.2 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | | | trans | -93 | 108.9 | 176.6 | -179.7 | -174.9 | -171.5 | -179.2 | 4.1 | 108.5 | | |
| 164 | S | 38.7 | Very low | 40.1 | Very low | 112 Ų | 112 | 156.8 Ų | 156.8 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | -116.6 | 149.9 | 166.7 | -166.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 165 | Q | 44.5 | Very low | 39.9 | Very low | 172 Ų | 172 | 156 Ų | 156 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -88 | 151 | -158.2 | -66.3 | -173.1 | -7.7 | 0 | 0 | 114.5 | | |
| 166 | H | 33.8 | Very low | 39.9 | Very low | 175 Ų | 175 | 156 Ų | 156 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | | | trans | -54.5 | 143 | 174.4 | -44.3 | -83.8 | 0 | 0 | 0 | 112.5 | | |
| 167 | S | 39.4 | Very low | 39.7 | Very low | 121 Ų | 121 | 156.1 Ų | 156.1 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | | | trans | -143.8 | 76.5 | 159.4 | -77.1 | 0 | 0 | 0 | 0 | 109 | | |
| 168 | T | 41 | Very low | 39.7 | Very low | 119 Ų | 119 | 155.2 Ų | 155.2 | 73% | 0.73 | 81% | 0.807 | S | S | * | * | | | trans | -63.1 | 131.3 | 171.7 | -49.3 | 0 | 0 | 0 | 0 | 109.6 | R170 | T168-R170 PolarHBondContact O-N 3.04Š|
| 169 | P | 42.4 | Very low | 39.7 | Very low | 117 Ų | 117 | 156.6 Ų | 156.6 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | | | trans | -69.1 | 104.3 | 173.6 | 28 | -32.6 | 0 | 0 | 0 | 109.3 | I171 | P169-I171 PolarHBondContact O-N 3.15Š|
| 170 | R | 38.2 | Very low | 39.4 | Very low | 243 Ų | 243 | 160.8 Ų | 160.8 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | | | trans | -78.3 | 110.5 | 178.8 | -160.8 | 176.7 | -161.7 | 171.3 | 6 | 109.9 | T168 G172 | T168-R170 PolarHBondContact O-N 3.04Å; R170-G172 PolarHBondContact O-N 2.94Å |
| 171 | I | 42.3 | Very low | 38.9 | Very low | 158 Ų | 158 | 158.4 Ų | 158.4 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 129.5 | 170 | -62.5 | 162.8 | 0 | 0 | 0 | 109.8 | P169 | P169-I171 PolarHBondContact O-N 3.15Š|
| 172 | G | 42.1 | Very low | 38.7 | Very low | 62 Ų | 62 | 155.5 Ų | 155.5 | 64% | 0.639 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 134 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | R170 | R170-G172 PolarHBondContact O-N 2.94Š|
| 173 | P | 45.7 | Very low | 38.9 | Very low | 126 Ų | 126 | 153.5 Ų | 153.5 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 136.8 | 179.4 | 29.4 | -33.7 | 0 | 0 | 0 | 111.1 | | |
| 174 | S | 36.2 | Very low | 39 | Very low | 92 Ų | 92 | 149.9 Ų | 149.9 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 144.6 | 166.9 | 45.9 | 0 | 0 | 0 | 0 | 110.8 | Q176 | S174-Q176 PolarHBondContact O-N 3.21Š|
| 175 | P | 37.8 | Very low | 39 | Very low | 133 Ų | 133 | 150.7 Ų | 150.7 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | | | trans | -79 | 100.4 | 171.2 | 30.8 | -31.3 | 0 | 0 | 0 | 109.7 | | |
| 176 | Q | 37.4 | Very low | 38.6 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 77% | 0.771 | 80% | 0.804 | S | S | * | * | | | trans | -115.9 | 148.4 | 166.1 | -87.9 | -177.1 | -18.3 | 0 | 0 | 111.7 | S174 | S174-Q176 PolarHBondContact O-N 3.21Š|
| 177 | Q | 35.5 | Very low | 38.7 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | | | trans | -33.6 | 133.3 | -174.1 | -67.8 | 155.6 | -48.6 | 0 | 0 | 116 | | |
| 178 | F | 37.7 | Very low | 38.5 | Very low | 211 Ų | 211 | 149.9 Ų | 149.9 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | | | trans | -108.2 | 142.5 | 152.7 | -102.6 | -89.3 | 0 | 0 | 0 | 110.8 | | |
| 179 | V | 37.5 | Very low | 38.4 | Very low | 132 Ų | 132 | 149.1 Ų | 149.1 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | | | trans | -92.3 | 156.2 | -171.1 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 180 | Y | 30.4 | Very low | 38.1 | Very low | 221 Ų | 221 | 151.7 Ų | 151.7 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | | | trans | -59 | 137.9 | 172.1 | -101.2 | -107.7 | 0 | 0 | 0 | 112.5 | | |
| 181 | E | 38.1 | Very low | 38.1 | Very low | 198 Ų | 198 | 143.5 Ų | 143.5 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | | | trans | -150 | 147.9 | 147 | -141.1 | 167 | -156.6 | 0 | 0 | 110.7 | | |
| 182 | N | 33.8 | Very low | 37.9 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 65% | 0.652 | 81% | 0.808 | S | S | * | * | | | trans | -132.7 | 119.1 | -160.5 | -175.9 | 24.3 | 0 | 0 | 0 | 110.6 | | |
| 183 | P | 48.1 | Very low | 37.4 | Very low | 123 Ų | 123 | 152.6 Ų | 152.6 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | | | trans | -94.5 | 115.5 | 177.7 | 21 | -7.3 | 0 | 0 | 0 | 112.5 | | |
| 184 | H | 39 | Very low | 37.5 | Very low | 166 Ų | 166 | 152.3 Ų | 152.3 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | | | trans | -78.2 | 165.3 | 166.4 | -84.4 | -84.1 | 0 | 0 | 0 | 112.6 | | |
| 185 | S | 38.5 | Very low | 37.6 | Very low | 128 Ų | 128 | 157.3 Ų | 157.3 | 90% | 0.895 | 83% | 0.832 | S | S | * | * | | | trans | 83.6 | 132.1 | 161.7 | 79.5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 186 | G | 36.5 | Very low | 37.7 | Very low | 78 Ų | 78 | 156 Ų | 156 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | | | trans | 141.5 | 67.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 187 | Q | 34.7 | Very low | 37.8 | Very low | 177 Ų | 177 | 155.8 Ų | 155.8 | 83% | 0.827 | 83% | 0.829 | S | S | * | * | | | trans | -61 | 145 | 170.2 | -67.4 | 172.8 | -14.4 | 0 | 0 | 110.6 | | |
| 188 | F | 36.5 | Very low | 37.9 | Very low | 197 Ų | 197 | 157.4 Ų | 157.4 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | | | | -168.4 | 114.4 | 127.1 | -91.1 | -58.9 | 0 | 0 | 0 | 112.7 | | |
| 189 | S | 38.8 | Very low | 37.9 | Very low | 102 Ų | 102 | 153.1 Ų | 153.1 | 71% | 0.713 | 83% | 0.83 | S | S | * | * | | | trans | 38.2 | 104.6 | 148.6 | 59 | 0 | 0 | 0 | 0 | 122.6 | | |
| 190 | N | 36.2 | Very low | 38 | Very low | 172 Ų | 172 | 156.8 Ų | 156.8 | 92% | 0.92 | 84% | 0.835 | S | S | * | * | | | | 64.5 | 103.8 | 112.8 | -155.7 | 14.3 | 0 | 0 | 0 | 119.9 | | |
| 191 | G | 38.1 | Very low | 38.3 | Very low | 71 Ų | 71 | 154.5 Ų | 154.5 | 73% | 0.732 | 84% | 0.837 | S | S | * | * | | | trans | 174.3 | 68.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 192 | K | 37.6 | Very low | 38.2 | Very low | 205 Ų | 205 | 152.8 Ų | 152.8 | 89% | 0.891 | 83% | 0.834 | S | S | * | * | | | trans | 43.7 | 108.3 | 162.4 | -65 | -168 | 176.2 | -173.1 | 0 | 119.8 | | |
| 193 | F | 31.3 | Very low | 38.4 | Very low | 205 Ų | 205 | 155.9 Ų | 155.9 | 90% | 0.899 | 84% | 0.842 | S | S | * | * | | | trans | -86 | 152.2 | 157.8 | -71 | -90.1 | 0 | 0 | 0 | 112.3 | | |
| 194 | P | 47.7 | Very low | 37.8 | Very low | 121 Ų | 121 | 157.7 Ų | 157.7 | 79% | 0.786 | 84% | 0.839 | S | S | * | * | | | trans | -106.9 | 114.9 | 148.1 | 32.6 | -22.3 | 0 | 0 | 0 | 110.6 | | |
| 195 | E | 37.5 | Very low | 37.7 | Very low | 197 Ų | 197 | 158.2 Ų | 158.2 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | | | trans | -70.7 | 128.5 | 169 | -66 | 178.2 | 140.6 | 0 | 0 | 110.5 | | |
| 196 | S | 41.7 | Very low | 37.6 | Very low | 106 Ų | 106 | 160 Ų | 160 | 74% | 0.741 | 84% | 0.836 | S | S | * | * | | | trans | -153.1 | 155.6 | 158.2 | 67.4 | 0 | 0 | 0 | 0 | 110 | | |
| 197 | L | 37.9 | Very low | 37.7 | Very low | 160 Ų | 160 | 161.1 Ų | 161.1 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | S | Bend | trans | 95.7 | 10.8 | 178.1 | -52.5 | 179.6 | 0 | 0 | 0 | 120.1 | | |
| 198 | F | 37.7 | Very low | 37.8 | Very low | 213 Ų | 213 | 161.7 Ų | 161.7 | 93% | 0.934 | 83% | 0.827 | S | S | * | * | | | trans | -137.7 | 72 | 164.7 | -86 | -79.6 | 0 | 0 | 0 | 114.5 | | |
| 199 | S | 37.5 | Very low | 37.8 | Very low | 121 Ų | 121 | 158 Ų | 158 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | | | trans | -163 | 81.7 | 162 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 200 | K | 40.5 | Very low | 37.5 | Very low | 209 Ų | 209 | 158.7 Ų | 158.7 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | | | trans | -143.6 | 35.3 | 169.6 | -144.6 | 175 | -175 | 179.4 | 0 | 115.1 | | |
| 201 | L | 36.2 | Very low | 37.5 | Very low | 173 Ų | 173 | 156 Ų | 156 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -138.3 | 144.1 | 162.7 | -78.6 | 173.8 | 0 | 0 | 0 | 109.4 | | |
| 202 | N | 35.7 | Very low | 37.3 | Very low | 162 Ų | 162 | 161.3 Ų | 161.3 | 87% | 0.866 | 83% | 0.831 | S | S | * | * | | | trans | 68 | 100.7 | 174.6 | -116.8 | -6 | 0 | 0 | 0 | 118.1 | | |
| 203 | K | 38 | Very low | 37.4 | Very low | 188 Ų | 188 | 158.5 Ų | 158.5 | 82% | 0.817 | 83% | 0.831 | S | S | * | * | | | trans | -140.1 | 103.9 | 149.8 | -87.9 | -158.7 | 171.8 | -178 | 0 | 111.8 | | |
| 204 | H | 36.9 | Very low | 37.6 | Very low | 160 Ų | 160 | 154.3 Ų | 154.3 | 74% | 0.741 | 82% | 0.822 | S | S | * | * | | | trans | 65.3 | 109.6 | 143.2 | -56.7 | -67.4 | 0 | 0 | 0 | 121.1 | | |
| 205 | Q | 36.4 | Very low | 37.1 | Very low | 177 Ų | 177 | 153 Ų | 153 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | | | trans | -52 | 149.1 | 134.7 | -68.8 | 169.5 | -46.2 | 0 | 0 | 110.6 | | |
| 206 | H | 36.5 | Very low | 37.2 | Very low | 166 Ų | 166 | 152.1 Ų | 152.1 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | | | | 155.5 | 167.6 | 105.5 | -137.7 | -87.8 | 0 | 0 | 0 | 110.8 | | |
| 207 | V | 38.3 | Very low | 36.6 | Very low | 101 Ų | 101 | 156.9 Ų | 156.9 | 61% | 0.612 | 83% | 0.825 | S | S | * | * | | | trans | 89.7 | 94.2 | 160.3 | -167 | 0 | 0 | 0 | 0 | 119.2 | | |
| 208 | F | 36.4 | Very low | 36.5 | Very low | 190 Ų | 190 | 158.3 Ų | 158.3 | 83% | 0.833 | 83% | 0.827 | S | S | * | * | | | trans | 57.6 | 149.1 | 143.3 | -49.7 | -45.8 | 0 | 0 | 0 | 120.6 | | |
| 209 | S | 36.8 | Very low | 36.5 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | cis | -146.3 | 163.9 | 9.2 | -76.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 210 | S | 32.4 | Very low | 36.6 | Very low | 116 Ų | 116 | 150.7 Ų | 150.7 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | | | trans | -96.4 | 151.2 | 176.9 | 56.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 211 | S | 37.2 | Very low | 36.4 | Very low | 116 Ų | 116 | 149.9 Ų | 149.9 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | trans | -156.6 | 119.5 | 146.2 | 55.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 212 | Q | 33.8 | Very low | 36.5 | Very low | 183 Ų | 183 | 151 Ų | 151 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | | | trans | -80 | 151.9 | 167.6 | -69.5 | 171.4 | -23.2 | 0 | 0 | 110.2 | | |
| 213 | T | 39.2 | Very low | 36.4 | Very low | 146 Ų | 146 | 153.9 Ų | 153.9 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | | | trans | -138.9 | 127 | 156.2 | -35.9 | 0 | 0 | 0 | 0 | 110 | | |
| 214 | T | 34.6 | Very low | 36.4 | Very low | 117 Ų | 117 | 151.1 Ų | 151.1 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | | | trans | -100.6 | 140 | -176.5 | -55 | 0 | 0 | 0 | 0 | 110.9 | | |
| 215 | A | 37 | Very low | 36.3 | Very low | 92 Ų | 92 | 150.3 Ų | 150.3 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | trans | -166.1 | 99 | 154.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 216 | E | 39.6 | Very low | 36.4 | Very low | 179 Ų | 179 | 148 Ų | 148 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | | | | 84.6 | 151.5 | 79.1 | -76.1 | -167.1 | 171.4 | 0 | 0 | 114.1 | | |
| 217 | F | 29.6 | Very low | 36.2 | Very low | 206 Ų | 206 | 145.4 Ų | 145.4 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | | | trans | -97.2 | -175.1 | -153.3 | -92.4 | -107.5 | 0 | 0 | 0 | 114 | | |
| 218 | E | 36.2 | Very low | 36.3 | Very low | 191 Ų | 191 | 149.5 Ų | 149.5 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | | | trans | 84.4 | 140.7 | 168.3 | -48.8 | -169.3 | 149.8 | 0 | 0 | 115.7 | | |
| 219 | A | 38.4 | Very low | 36.2 | Very low | 70 Ų | 70 | 146.9 Ų | 146.9 | 58% | 0.579 | 81% | 0.807 | S | S | * | * | | | cis | -146.1 | 160.2 | 4.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y221 | A219-Y221 HydrophobicContact CB-CE2 4.39Š|
| 220 | P | 38.6 | Very low | 36.4 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | | | trans | -92 | -152.2 | 173.9 | 34.1 | -29.6 | 0 | 0 | 0 | 113.6 | | |
| 221 | Y | 35.8 | Very low | 36.6 | Very low | 192 Ų | 192 | 145.4 Ų | 145.4 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | | | trans | 83.8 | 132.8 | 169.3 | 22.4 | -91.7 | 0 | 0 | 0 | 124.3 | A219 | A219-Y221 HydrophobicContact CB-CE2 4.39Š|
| 222 | K | 38.3 | Very low | 36.5 | Very low | 196 Ų | 196 | 148.7 Ų | 148.7 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | | | trans | 89.1 | 81.6 | 147.2 | -74.9 | 177.6 | 179 | 178.5 | 0 | 122.5 | | |
| 223 | R | 34.1 | Very low | 36.8 | Very low | 224 Ų | 224 | 147.1 Ų | 147.1 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | | | | 21.2 | 122.8 | 109.1 | -179.1 | -165.6 | -65.8 | 175.4 | -1.1 | 118.2 | | |
| 224 | T | 38.8 | Very low | 36.5 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | | -163.2 | 119.2 | 125.3 | 29.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 225 | N | 34.6 | Very low | 36.6 | Very low | 143 Ų | 143 | 150.3 Ų | 150.3 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | | | trans | 14.9 | 129 | 140.6 | -41.2 | -11.8 | 0 | 0 | 0 | 120.7 | | |
| 226 | S | 37.9 | Very low | 36.2 | Very low | 129 Ų | 129 | 157.3 Ų | 157.3 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | | | | -169.1 | 166.4 | 106.9 | 61.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 227 | S | 32.4 | Very low | 35.9 | Very low | 111 Ų | 111 | 154.6 Ų | 154.6 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | | | trans | -132.9 | 137.1 | -167.3 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 228 | E | 40.5 | Very low | 36 | Very low | 187 Ų | 187 | 153.3 Ų | 153.3 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -158.3 | 106.7 | 151.1 | -122.5 | 168.1 | 171.9 | 0 | 0 | 113.5 | | |
| 229 | T | 34.8 | Very low | 36.2 | Very low | 136 Ų | 136 | 152.4 Ų | 152.4 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | | 21.7 | 127.5 | 127.4 | -42.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 230 | G | 41.1 | Very low | 36.1 | Very low | 74 Ų | 74 | 158 Ų | 158 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | | | trans | 172.1 | 82.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 231 | D | 37.3 | Very low | 35.9 | Very low | 129 Ų | 129 | 156.3 Ų | 156.3 | 69% | 0.69 | 82% | 0.82 | S | S | * | * | | | trans | -81.3 | 164.1 | -173.3 | -65.9 | -53.2 | 0 | 0 | 0 | 115.2 | | |
| 232 | F | 34.6 | Very low | 36 | Very low | 185 Ų | 185 | 155.6 Ų | 155.6 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | | | trans | 94.2 | 128.3 | 144.8 | -66.8 | -52.2 | 0 | 0 | 0 | 122.7 | | |
| 233 | L | 39.9 | Very low | 36 | Very low | 151 Ų | 151 | 152.9 Ų | 152.9 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | | | trans | 91.9 | 96.7 | 148.8 | -65.8 | 161.5 | 0 | 0 | 0 | 121 | | |
| 234 | T | 32.9 | Very low | 35.9 | Very low | 120 Ų | 120 | 148 Ų | 148 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | | | | 58.2 | 97 | 114.1 | -50.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 235 | K | 36.2 | Very low | 35.8 | Very low | 209 Ų | 209 | 153.4 Ų | 153.4 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | | | | -160.8 | 134.7 | 125.6 | -114.5 | 164.4 | -174.7 | 173 | 0 | 114 | | |
| 236 | R | 28.5 | Very low | 35.6 | Very low | 240 Ų | 240 | 151.4 Ų | 151.4 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | | | trans | -78.9 | 124 | 173.5 | 174.7 | -173.5 | -170.9 | 167.4 | 3.1 | 109.9 | | |
| 237 | S | 33.8 | Very low | 35.7 | Very low | 122 Ų | 122 | 153.1 Ų | 153.1 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | | | trans | -155.2 | 143.1 | 156.9 | -93.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 238 | M | 30.7 | Very low | 35.7 | Very low | 179 Ų | 179 | 157.5 Ų | 157.5 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | | | trans | -75.6 | 135.5 | -177.7 | -57.9 | 156.7 | 165.6 | 0 | 0 | 111.5 | | |
| 239 | I | 41.4 | Very low | 35.5 | Very low | 172 Ų | 172 | 155 Ų | 155 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | | | trans | -138.6 | 139.3 | 148.3 | -60.1 | -174 | 0 | 0 | 0 | 108.2 | | |
| 240 | M | 36.8 | Very low | 35.3 | Very low | 188 Ų | 188 | 160.3 Ų | 160.3 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | | | trans | -80 | 148.6 | 179.2 | -59.6 | -95.1 | -73.2 | 0 | 0 | 110.6 | | |
| 241 | G | 34.4 | Very low | 35 | Very low | 66 Ų | 66 | 166.7 Ų | 166.7 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | | | trans | 172.9 | 106.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 242 | E | 37.2 | Very low | 35 | Very low | 177 Ų | 177 | 168.5 Ų | 168.5 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | | | trans | -5 | 154.6 | 169.5 | -74.5 | 100.2 | 170.2 | 0 | 0 | 124.5 | | |
| 243 | D | 39 | Very low | 35.3 | Very low | 140 Ų | 140 | 164.2 Ų | 164.2 | 75% | 0.749 | 81% | 0.809 | S | S | * | * | | | trans | 75.1 | 89.6 | 147.2 | -67.3 | -15 | 0 | 0 | 0 | 123.1 | | |
| 244 | C | 31.1 | Very low | 34.9 | Very low | 121 Ų | 121 | 165 Ų | 165 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | | 50.5 | 86.8 | 111.9 | -59.1 | 0 | 0 | 0 | 0 | 118.5 | | |
| 245 | R | 36.5 | Very low | 35.1 | Very low | 243 Ų | 243 | 167.7 Ų | 167.7 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | | | trans | -144.1 | 122.2 | 144.7 | -159.8 | 167.2 | -71.7 | -144.4 | 0.4 | 112.2 | | |
| 246 | S | 31.4 | Very low | 34.9 | Very low | 100 Ų | 100 | 162.9 Ų | 162.9 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | | | trans | -75.6 | 140.1 | 177.8 | 48.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 247 | L | 38.3 | Very low | 35.1 | Very low | 166 Ų | 166 | 159.3 Ų | 159.3 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | | | trans | -131.2 | 117.2 | 154.8 | -78 | 177.1 | 0 | 0 | 0 | 108.8 | E249 | L247-E249 PolarHBondContact O-N 3.33Š|
| 248 | Y | 32.9 | Very low | 35.1 | Very low | 203 Ų | 203 | 162.5 Ų | 162.5 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | | | trans | -68.1 | 109.1 | 162.9 | -86.3 | -105.4 | 0 | 0 | 0 | 107.8 | | |
| 249 | E | 36.3 | Very low | 35.4 | Very low | 134 Ų | 134 | 162.4 Ų | 162.4 | 63% | 0.626 | 81% | 0.807 | S | S | * | * | | | trans | -128.2 | 115.7 | 167.6 | -141.2 | -169.8 | -126 | 0 | 0 | 111.9 | L247 R251 | L247-E249 PolarHBondContact O-N 3.33Å; E249-R251 PolarHBondContact O-N 2.88Å; E249-R251 VanDerWaalsContact O-N 3.14Å; E249-R251 IonicContact OE1-NH2 3.83Å; E249-R251 IonicContact OE2-CZ 3.15Å; E249-R251 IonicContact OE2-NE 2.79Å; E249-R251 PolarHBondContact OE2-NE 3.29Å; E249-R251 IonicContact OE2-NH2 2.72Å; E249-R251 PolarHBondContact OE2-NH2 3.38Å |
| 250 | R | 31 | Very low | 35 | Very low | 248 Ų | 248 | 159.7 Ų | 159.7 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | | | trans | -57.5 | 104 | 175.9 | 171.4 | -157.5 | -78.8 | -177.4 | -8.4 | 110.9 | | |
| 251 | R | 33.9 | Very low | 34.6 | Very low | 207 Ų | 207 | 158.5 Ų | 158.5 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | | | trans | -136.4 | 145.6 | 166.4 | -63.6 | -168.5 | -168.7 | -142.8 | 2.2 | 113.8 | E249 | E249-R251 PolarHBondContact O-N 2.88Å; E249-R251 VanDerWaalsContact O-N 3.14Å; E249-R251 IonicContact OE1-NH2 3.83Å; E249-R251 IonicContact OE2-CZ 3.15Å; E249-R251 IonicContact OE2-NE 2.79Å; E249-R251 PolarHBondContact OE2-NE 3.29Å; E249-R251 IonicContact OE2-NH2 2.72Å; E249-R251 PolarHBondContact OE2-NH2 3.38Å |
| 252 | Q | 38.5 | Very low | 34.5 | Very low | 168 Ų | 168 | 161.6 Ų | 161.6 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -50.2 | 158.2 | -172 | -70.3 | -88.8 | -20.8 | 0 | 0 | 116.4 | | |
| 253 | P | 40.8 | Very low | 34.4 | Very low | 95 Ų | 95 | 161 Ų | 161 | 62% | 0.617 | 80% | 0.8 | S | S | * | * | | | trans | -73.1 | 131.6 | 162.8 | 31.8 | -32.3 | 0 | 0 | 0 | 111 | F255 | P253-F255 PolarHBondContact O-N 2.82Š|
| 254 | D | 31.6 | Very low | 33.9 | Very low | 167 Ų | 167 | 162.2 Ų | 162.2 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | | | trans | -67.2 | 98.3 | -180 | -69.3 | -57.1 | 0 | 0 | 0 | 112.6 | | |
| 255 | F | 37 | Very low | 34 | Very low | 176 Ų | 176 | 164.1 Ų | 164.1 | 77% | 0.772 | 80% | 0.801 | S | S | * | * | | | trans | -90.8 | 112.9 | 150.1 | -75.2 | -82.5 | 0 | 0 | 0 | 108 | P253 M257 | P253-F255 PolarHBondContact O-N 2.82Å; F255-M257 PolarHBondContact O-N 3.05Å |
| 256 | A | 31.2 | Very low | 33.6 | Very low | 109 Ų | 109 | 163.4 Ų | 163.4 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | | | trans | -61.6 | 95.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 257 | M | 34.2 | Very low | 33.5 | Very low | 164 Ų | 164 | 162.1 Ų | 162.1 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | | | trans | -88.6 | 104.3 | 170.6 | -173.5 | -179.2 | -63.2 | 0 | 0 | 108.1 | F255 K259 | F255-M257 PolarHBondContact O-N 3.05Å; M257-K259 PolarHBondContact O-N 2.97Å |
| 258 | E | 33.1 | Very low | 33.2 | Very low | 189 Ų | 189 | 161.2 Ų | 161.2 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | | | trans | -58.6 | 104.1 | 169.5 | -170.3 | 170.5 | -141.7 | 0 | 0 | 109 | P260 | E258-P260 WeakPolarHBondContact O-CD 3.43Š|
| 259 | K | 36.5 | Very low | 33.4 | Very low | 178 Ų | 178 | 159.4 Ų | 159.4 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | | | trans | -81 | 119.8 | 174.3 | -76.3 | -178.1 | 175.8 | 179.4 | 0 | 108.4 | M257 L261 | M257-K259 PolarHBondContact O-N 2.97Å; K259-L261 PolarHBondContact O-N 3.2Å |
| 260 | P | 34 | Very low | 33.1 | Very low | 115 Ų | 115 | 156.6 Ų | 156.6 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | | | trans | -63.6 | 124.5 | 163.7 | 27.5 | -32.1 | 0 | 0 | 0 | 108.4 | E258 V262 | E258-P260 WeakPolarHBondContact O-CD 3.43Å; P260-V262 PolarHBondContact O-N 3.07Å; P260-V262 VanDerWaalsContact O-N 3.12Å |
| 261 | L | 28.3 | Very low | 33.4 | Very low | 162 Ų | 162 | 153.6 Ų | 153.6 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | | | trans | -79.4 | 93.3 | -177.1 | -165.9 | 150.2 | 0 | 0 | 0 | 108.7 | K259 | K259-L261 PolarHBondContact O-N 3.2Š|
| 262 | V | 32.3 | Very low | 33.3 | Very low | 132 Ų | 132 | 152.4 Ų | 152.4 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | | | trans | -121.7 | 83.3 | 173.2 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | P260 Q264 | P260-V262 PolarHBondContact O-N 3.07Å; P260-V262 VanDerWaalsContact O-N 3.12Å; V262-Q264 PolarHBondContact O-N 3.3Å |
| 263 | Q | 35.1 | Very low | 33 | Very low | 165 Ų | 165 | 153.7 Ų | 153.7 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | | | trans | -86.1 | 92.7 | 169.4 | -174.6 | 166.5 | -6.7 | 0 | 0 | 109.3 | I265 | Q263-I265 PolarHBondContact O-N 2.88Š|
| 264 | Q | 28.4 | Very low | 32.7 | Very low | 164 Ų | 164 | 154.3 Ų | 154.3 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | | | trans | 23.3 | 90.6 | 139.7 | -167.8 | 177.7 | 13.8 | 0 | 0 | 116.7 | V262 | V262-Q264 PolarHBondContact O-N 3.3Š|
| 265 | I | 33.4 | Very low | 32.8 | Very low | 161 Ų | 161 | 153.5 Ų | 153.5 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | | | trans | -120.5 | 101.2 | 149.7 | -60.6 | -178.1 | 0 | 0 | 0 | 107.3 | Q263 | Q263-I265 PolarHBondContact O-N 2.88Š|
| 266 | Y | 28.2 | Very low | 32.8 | Very low | 228 Ų | 228 | 154.2 Ų | 154.2 | 89% | 0.894 | 81% | 0.811 | S | S | * | * | | | trans | -86.4 | 106 | 170 | -121.6 | -95 | 0 | 0 | 0 | 107.4 | | |
| 267 | A | 29 | Very low | 33.2 | Very low | 73 Ų | 73 | 156.8 Ų | 156.8 | 60% | 0.603 | 81% | 0.809 | S | S | * | * | | | trans | -165.2 | 100.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 268 | N | 32.3 | Very low | 33.3 | Very low | 147 Ų | 147 | 156.9 Ų | 156.9 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | | | trans | 63.8 | 157.7 | 147.6 | -56 | -13.7 | 0 | 0 | 0 | 119.9 | | |
| 269 | N | 35.7 | Very low | 33.3 | Very low | 165 Ų | 165 | 155.7 Ų | 155.7 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | | | trans | 69.8 | 98.3 | 176.9 | -40.1 | -17.4 | 0 | 0 | 0 | 112.1 | | |
| 270 | G | 30.8 | Very low | 33.3 | Very low | 75 Ų | 75 | 153.8 Ų | 153.8 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | cis | 96.2 | 54.9 | 20.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 271 | E | 38.1 | Very low | 33.4 | Very low | 186 Ų | 186 | 154.7 Ų | 154.7 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | | | trans | -163 | 153.1 | 157.2 | -110.6 | 159.1 | -147.5 | 0 | 0 | 110.1 | | |
| 272 | E | 32.1 | Very low | 33.7 | Very low | 181 Ų | 181 | 155.3 Ų | 155.3 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | | | trans | -62.3 | 125.7 | -157.8 | -64 | 161.1 | 163.6 | 0 | 0 | 116.6 | | |
| 273 | F | 30.4 | Very low | 33.7 | Very low | 195 Ų | 195 | 155.2 Ų | 155.2 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | | | trans | -130.1 | 53.6 | 161.3 | -88 | -80.4 | 0 | 0 | 0 | 111.7 | | |
| 274 | S | 34.5 | Very low | 33.6 | Very low | 108 Ų | 108 | 153 Ų | 153 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | trans | -109.6 | 71.5 | 175.5 | -59.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 275 | N | 35 | Very low | 33.8 | Very low | 151 Ų | 151 | 153.9 Ų | 153.9 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | | | trans | -158.6 | 8.1 | 179.1 | -95.1 | -35.8 | 0 | 0 | 0 | 116.9 | | |
| 276 | F | 36.7 | Very low | 33.8 | Very low | 190 Ų | 190 | 157.3 Ų | 157.3 | 83% | 0.833 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -119 | 11.1 | -171.3 | -85.8 | -76.7 | 0 | 0 | 0 | 116.3 | | |
| 277 | L | 39.8 | Very low | 34.1 | Very low | 163 Ų | 163 | 155.4 Ų | 155.4 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -135.4 | -2.9 | -177.9 | -96.2 | 164.9 | 0 | 0 | 0 | 116.1 | | |
| 278 | E | 35.1 | Very low | 34.4 | Very low | 166 Ų | 166 | 158.5 Ų | 158.5 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -92.4 | -12.1 | -174.9 | -126.3 | 72.2 | -148.4 | 0 | 0 | 114.2 | V280 | E278-V280 PolarHBondContact O-N 2.98Š|
| 279 | D | 33.9 | Very low | 34.7 | Very low | 164 Ų | 164 | 157.5 Ų | 157.5 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 21 | -158.5 | -131.9 | 19.1 | 0 | 0 | 0 | 115.7 | | |
| 280 | V | 36.6 | Very low | 34.6 | Very low | 139 Ų | 139 | 155.1 Ų | 155.1 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.4 | 28.8 | 179.3 | -157.6 | 0 | 0 | 0 | 0 | 112.3 | E278 | E278-V280 PolarHBondContact O-N 2.98Š|
| 281 | I | 35.6 | Very low | 35 | Very low | 133 Ų | 133 | 159 Ų | 159 | 68% | 0.682 | 81% | 0.808 | S | S | * | * | | | trans | -132.1 | 51.6 | 178 | -38 | -176.5 | 0 | 0 | 0 | 112.6 | | |
| 282 | H | 35.5 | Very low | 34.8 | Very low | 176 Ų | 176 | 157.1 Ų | 157.1 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | | | trans | -147.3 | 110.4 | 162 | -86.8 | -57.8 | 0 | 0 | 0 | 113 | T284 | H282-T284 PolarHBondContact O-N 2.97Å; H282-T284 VanDerWaalsContact O-N 3.16Å |
| 283 | P | 32 | Very low | 35 | Very low | 129 Ų | 129 | 156.5 Ų | 156.5 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | | | trans | -83.3 | 85.8 | 171.8 | 33.3 | -32 | 0 | 0 | 0 | 110.3 | Q285 | P283-Q285 PolarHBondContact O-N 3.37Š|
| 284 | T | 33.8 | Very low | 35.1 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | | | trans | -73.9 | 109.3 | 175.8 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | H282 R286 | H282-T284 PolarHBondContact O-N 2.97Å; H282-T284 VanDerWaalsContact O-N 3.16Å; T284-R286 PolarHBondContact O-N 3.3Å |
| 285 | Q | 31.1 | Very low | 35.1 | Very low | 183 Ų | 183 | 156.5 Ų | 156.5 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | | | trans | -52.1 | 124.5 | 173.1 | -65.1 | 171.1 | -42.1 | 0 | 0 | 111.9 | P283 | P283-Q285 PolarHBondContact O-N 3.37Š|
| 286 | R | 34.2 | Very low | 35.4 | Very low | 233 Ų | 233 | 155.7 Ų | 155.7 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | | | trans | -138.5 | 136.5 | 153.6 | -71.9 | -162.6 | 174.9 | -169.1 | -0.3 | 110.7 | T284 | T284-R286 PolarHBondContact O-N 3.3Š|
| 287 | H | 34.5 | Very low | 35.5 | Very low | 189 Ų | 189 | 150.9 Ų | 150.9 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | | | trans | -59.4 | 152.3 | -161.4 | -72.7 | -108.6 | 0 | 0 | 0 | 116.8 | | |
| 288 | L | 35 | Very low | 35.4 | Very low | 137 Ų | 137 | 151.5 Ų | 151.5 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | | | trans | -61.3 | 169 | 162.6 | -81.7 | 84.6 | 0 | 0 | 0 | 112.2 | | |
| 289 | P | 38.8 | Very low | 35.7 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | | -120.8 | 151.6 | 104.3 | 35.5 | -34.7 | 0 | 0 | 0 | 113.8 | | |
| 290 | D | 32.8 | Very low | 36.1 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 62% | 0.615 | 77% | 0.77 | S | S | * | * | | | trans | -66.2 | 142.8 | -174 | -54.2 | -70.9 | 0 | 0 | 0 | 113.8 | | |
| 291 | N | 40.4 | Very low | 36.5 | Very low | 156 Ų | 156 | 146 Ų | 146 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | | | trans | -148.4 | 113.2 | 135.6 | -151.1 | -10.3 | 0 | 0 | 0 | 110.8 | | |
| 292 | H | 33.1 | Very low | 37 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 68% | 0.681 | 76% | 0.755 | S | S | * | * | | | trans | -77.9 | 131 | -177.9 | -64.5 | -85.3 | 0 | 0 | 0 | 111.3 | | |
| 293 | N | 36.6 | Very low | 37.4 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 90% | 0.898 | 75% | 0.75 | S | S | * | * | | | trans | -147.2 | 89.3 | 147.3 | -91.8 | -44.2 | 0 | 0 | 0 | 108.4 | | |
| 294 | S | 32.5 | Very low | 37.9 | Very low | 98 Ų | 98 | 144.1 Ų | 144.1 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | | | trans | -78.8 | 129.4 | -177.8 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 295 | F | 33.8 | Very low | 38.4 | Very low | 205 Ų | 205 | 142.6 Ų | 142.6 | 90% | 0.899 | 75% | 0.745 | S | S | * | * | | | trans | -154.1 | 156.6 | 143.9 | -84.4 | -67.1 | 0 | 0 | 0 | 109.5 | | |
| 296 | V | 41.7 | Very low | 39 | Very low | 134 Ų | 134 | 142 Ų | 142 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 85.7 | 79.5 | 174.1 | -163.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 297 | S | 38 | Very low | 39.2 | Very low | 89 Ų | 89 | 138.3 Ų | 138.3 | 62% | 0.622 | 74% | 0.737 | S | S | * | * | | | trans | 33.6 | 105.5 | 142.3 | 61.4 | 0 | 0 | 0 | 0 | 121.5 | S299 | S297-S299 PolarHBondContact O-N 2.98Š|
| 298 | H | 38.3 | Very low | 39.5 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -69.3 | 12.7 | 167.4 | -113.9 | -87.7 | 0 | 0 | 0 | 115.9 | M300 | H298-M300 PolarHBondContact O-N 2.86Š|
| 299 | S | 42 | Very low | 39.6 | Very low | 79 Ų | 79 | 136.6 Ų | 136.6 | 55% | 0.552 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 8.2 | -156.5 | 61.5 | 0 | 0 | 0 | 0 | 117.3 | S297 | S297-S299 PolarHBondContact O-N 2.98Š|
| 300 | M | 41.7 | Very low | 39.3 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | -6.9 | -170.9 | -70.3 | -75 | -78.9 | 0 | 0 | 115.2 | H298 | H298-M300 PolarHBondContact O-N 2.86Š|
| 301 | I | 45.2 | Very low | 39.5 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 67% | 0.667 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -89.3 | -29.5 | -174.4 | -64 | 173.1 | 0 | 0 | 0 | 111.7 | L303 | I301-L303 VanDerWaalsContact C-N 3.29Å; I301-L303 PolarHBondContact O-N 2.89Å |
| 302 | D | 46.8 | Very low | 39.2 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 54% | 0.54 | 75% | 0.753 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.8 | 1.5 | -178.3 | -66.2 | -32 | 0 | 0 | 0 | 115.3 | | |
| 303 | L | 43.9 | Very low | 39.6 | Very low | 135 Ų | 135 | 142.1 Ų | 142.1 | 71% | 0.707 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -14.4 | 174.9 | -81 | 91.6 | 0 | 0 | 0 | 113.4 | I301 | I301-L303 VanDerWaalsContact C-N 3.29Å; I301-L303 PolarHBondContact O-N 2.89Å |
| 304 | L | 42.7 | Very low | 39.4 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -101.7 | 1.7 | -177.7 | -66.5 | 173.5 | 0 | 0 | 0 | 113.9 | | |
| 305 | S | 44.3 | Very low | 39.7 | Very low | 86 Ų | 86 | 144.1 Ų | 144.1 | 60% | 0.601 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -109 | 0.4 | -176 | 57.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 306 | K | 43.4 | Very low | 39.6 | Very low | 169 Ų | 169 | 141.6 Ų | 141.6 | 74% | 0.735 | 76% | 0.76 | S | S | * | * | | | trans | -103 | -0.3 | -167.2 | -78.5 | 178.3 | 176.5 | 167.1 | 0 | 116.8 | | |
| 307 | D | 38.8 | Very low | 39.7 | Very low | 156 Ų | 156 | 145.1 Ų | 145.1 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | | | trans | -108.8 | 50.1 | -169.4 | -148.6 | 31.6 | 0 | 0 | 0 | 113.5 | | |
| 308 | Q | 39.7 | Very low | 39.4 | Very low | 171 Ų | 171 | 147.2 Ų | 147.2 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | | | trans | -126.5 | 100 | 173.1 | -81.5 | -75.9 | -24.7 | 0 | 0 | 109.7 | G310 | Q308-G310 PolarHBondContact O-N 3.49Š|
| 309 | P | 37.1 | Very low | 39.4 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | -67.6 | 130.6 | 175.6 | 27 | -32.4 | 0 | 0 | 0 | 110.4 | | |
| 310 | G | 33.1 | Very low | 39 | Very low | 80 Ų | 80 | 147.9 Ų | 147.9 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | -69.1 | 130.7 | -159.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q308 | Q308-G310 PolarHBondContact O-N 3.49Š|
| 311 | R | 36.4 | Very low | 38.7 | Very low | 248 Ų | 248 | 147.1 Ų | 147.1 | 94% | 0.936 | 78% | 0.78 | S | S | * | * | | | trans | -92.8 | 108.1 | 159.8 | -154.3 | 176.1 | 92 | -179.7 | 6.6 | 109.3 | A313 | R311-A313 PolarHBondContact O-N 3.06Š|
| 312 | R | 33.7 | Very low | 38.3 | Very low | 228 Ų | 228 | 145.7 Ų | 145.7 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | -55.7 | 134.8 | 178.8 | -72.8 | -178.4 | 174.4 | -168.5 | -1.2 | 111.7 | | |
| 313 | A | 41.9 | Very low | 38 | Very low | 104 Ų | 104 | 148 Ų | 148 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -121.2 | 75.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | R311 F315 | R311-A313 PolarHBondContact O-N 3.06Å; A313-F315 PolarHBondContact O-N 3.41Å |
| 314 | T | 32.2 | Very low | 37.6 | Very low | 99 Ų | 99 | 146.1 Ų | 146.1 | 61% | 0.607 | 79% | 0.791 | S | S | * | * | | | trans | -70.6 | 112.7 | 164.1 | 40.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 315 | F | 39.1 | Very low | 37.4 | Very low | 209 Ų | 209 | 144.6 Ų | 144.6 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | | | trans | -161.2 | 87.5 | 145.3 | -79.2 | -55.1 | 0 | 0 | 0 | 110.5 | A313 K317 | A313-F315 PolarHBondContact O-N 3.41Å; F315-K317 PolarHBondContact O-N 3.48Å |
| 316 | T | 31 | Very low | 37.1 | Very low | 152 Ų | 152 | 145.9 Ų | 145.9 | 93% | 0.933 | 79% | 0.788 | S | S | * | * | | | trans | -69.8 | 118.6 | 160 | 44 | 0 | 0 | 0 | 0 | 109.2 | | |
| 317 | K | 44 | Very low | 36.7 | Very low | 208 Ų | 208 | 145.8 Ų | 145.8 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | | | trans | -132.6 | 103.3 | 164.3 | -159.6 | 175.8 | -174.9 | -176.3 | 0 | 109.9 | F315 | F315-K317 PolarHBondContact O-N 3.48Š|
| 318 | C | 33.1 | Very low | 36.7 | Very low | 133 Ų | 133 | 144 Ų | 144 | 90% | 0.899 | 78% | 0.784 | S | S | * | * | | | trans | -82.5 | 146.7 | 174.7 | -180 | 0 | 0 | 0 | 0 | 110.6 | | |
| 319 | G | 36.7 | Very low | 36.5 | Very low | 59 Ų | 59 | 141.4 Ų | 141.4 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | | | trans | 144 | 144.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 320 | Y | 35.1 | Very low | 36.4 | Very low | 210 Ų | 210 | 140.7 Ų | 140.7 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | | | cis | -161.9 | 161.1 | -1.7 | -140.3 | -112.9 | 0 | 0 | 0 | 108.7 | | |
| 321 | D | 35.4 | Very low | 36.7 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 68% | 0.684 | 77% | 0.766 | S | S | * | * | | | trans | 73.1 | 133.3 | 157.5 | -72.4 | -18 | 0 | 0 | 0 | 126.3 | | |
| 322 | S | 35.6 | Very low | 36.9 | Very low | 100 Ų | 100 | 136 Ų | 136 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | | | trans | 73.1 | 123.1 | 140.7 | -67.5 | 0 | 0 | 0 | 0 | 119.1 | | |
| 323 | L | 40.5 | Very low | 37.2 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | cis | -159 | 157.6 | 45.3 | -149.4 | 75.4 | 0 | 0 | 0 | 111.9 | | |
| 324 | S | 36.8 | Very low | 37.2 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | | | trans | 27 | 137.8 | 149.5 | 61.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 325 | D | 37.1 | Very low | 37.5 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | | | cis | -169.1 | 161.7 | 38.1 | -149 | -12.8 | 0 | 0 | 0 | 113.1 | | |
| 326 | T | 38 | Very low | 37.4 | Very low | 113 Ų | 113 | 130 Ų | 130 | 69% | 0.693 | 74% | 0.738 | S | S | * | * | | | trans | 55.6 | 139.3 | 161.1 | 53 | 0 | 0 | 0 | 0 | 121.4 | | |
| 327 | H | 36.3 | Very low | 37.6 | Very low | 168 Ų | 168 | 127.9 Ų | 127.9 | 78% | 0.778 | 73% | 0.73 | S | S | * | * | | | cis | -172.9 | 158 | -26.3 | -130.4 | -84.1 | 0 | 0 | 0 | 108.7 | | |
| 328 | V | 37.4 | Very low | 37.2 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 71% | 0.709 | 73% | 0.726 | S | S | * | * | | | trans | 90 | 102 | 155.4 | 176.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 329 | V | 36.9 | Very low | 37.2 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 72% | 0.715 | 72% | 0.72 | S | S | * | * | | | | 61.1 | 105.4 | 128.6 | -177.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 330 | S | 34.6 | Very low | 37.2 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | | | | 71.2 | 149.6 | 78.1 | 105.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 331 | S | 39.9 | Very low | 37.4 | Very low | 83 Ų | 83 | 124.4 Ų | 124.4 | 58% | 0.58 | 74% | 0.737 | S | S | * | * | | | cis | -159.5 | 160 | 23.6 | -136.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 332 | D | 40.2 | Very low | 37.3 | Very low | 146 Ų | 146 | 125.7 Ų | 125.7 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | | | trans | 58.7 | 158.8 | 147 | -60.3 | -43 | 0 | 0 | 0 | 119.9 | | |
| 333 | E | 40.2 | Very low | 37.3 | Very low | 159 Ų | 159 | 124.8 Ų | 124.8 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | | | cis | -153.6 | 163.8 | -4.9 | -112.7 | -145.5 | 96.2 | 0 | 0 | 105.5 | H335 | E333-H335 IonicContact OE1-NE2 3.91Š|
| 334 | S | 40.1 | Very low | 37 | Very low | 64 Ų | 64 | 125.8 Ų | 125.8 | 45% | 0.448 | 75% | 0.751 | S | S | . | * | | | cis | -176.6 | 160.8 | -21.8 | 55.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 335 | H | 38.7 | Very low | 37.1 | Very low | 173 Ų | 173 | 131 Ų | 131 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | | | trans | 63.6 | 156.4 | 163.1 | -44.2 | -48.3 | 0 | 0 | 0 | 117.3 | E333 | E333-H335 IonicContact OE1-NE2 3.91Š|
| 336 | S | 38.5 | Very low | 37.1 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | cis | -153.5 | 162.8 | -2.9 | 45.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 337 | S | 34.2 | Very low | 37.1 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | | | trans | -39.4 | 151.6 | 174.1 | -176.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 338 | S | 35.9 | Very low | 37.4 | Very low | 119 Ų | 119 | 129 Ų | 129 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | | | trans | 103.4 | 142.9 | 141.4 | 79.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 339 | G | 34.1 | Very low | 37.2 | Very low | 75 Ų | 75 | 132.1 Ų | 132.1 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | 115 | 89.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | I341 | G339-I341 PolarHBondContact O-N 3.3Š|
| 340 | L | 36.6 | Very low | 37.3 | Very low | 180 Ų | 180 | 130.9 Ų | 130.9 | 94% | 0.942 | 78% | 0.778 | S | S | * | * | | | trans | -78 | 106.3 | 159.7 | -79.4 | 165.1 | 0 | 0 | 0 | 110.1 | | |
| 341 | I | 39.2 | Very low | 37.3 | Very low | 163 Ų | 163 | 132.1 Ų | 132.1 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | | | trans | -144 | 143.8 | 158.9 | -54.4 | -177 | 0 | 0 | 0 | 110.3 | G339 | G339-I341 PolarHBondContact O-N 3.3Š|
| 342 | N | 33.1 | Very low | 37 | Very low | 155 Ų | 155 | 132.3 Ų | 132.3 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | | | trans | -60.9 | 155.8 | -178.1 | -56.9 | -39.5 | 0 | 0 | 0 | 114.9 | | |
| 343 | G | 35.6 | Very low | 36.8 | Very low | 82 Ų | 82 | 130.9 Ų | 130.9 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | trans | -123.9 | 118.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 344 | E | 32.9 | Very low | 36.3 | Very low | 171 Ų | 171 | 130.1 Ų | 130.1 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | | | trans | -94.4 | 152.4 | -178 | -54.1 | 170.2 | 135.4 | 0 | 0 | 111.8 | | |
| 345 | F | 38.7 | Very low | 36 | Very low | 204 Ų | 204 | 136.4 Ų | 136.4 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | | | trans | -149.3 | 85.9 | 149.1 | -87.1 | -74.4 | 0 | 0 | 0 | 109.2 | | |
| 346 | T | 39 | Very low | 35.7 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | | | | 98 | 118.5 | 95.1 | -54.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 347 | V | 36.5 | Very low | 35.3 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | | | trans | -121.6 | 141.6 | 177.2 | 174.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 348 | P | 43.3 | Very low | 35.1 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | | | trans | -90.4 | 128.6 | 163 | -6.5 | 25.8 | 0 | 0 | 0 | 112.2 | | |
| 349 | Q | 33.8 | Very low | 34.8 | Very low | 184 Ų | 184 | 139.3 Ų | 139.3 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | -76.4 | 151.7 | 174.7 | -66.3 | 177.5 | -9.3 | 0 | 0 | 113.5 | | |
| 350 | A | 37.8 | Very low | 34.5 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | | | trans | -163.6 | 96.1 | 131.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 351 | T | 35 | Very low | 34.3 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | | | | 79.1 | 124.4 | 97.4 | -52 | 0 | 0 | 0 | 0 | 114.2 | | |
| 352 | S | 34.3 | Very low | 33.9 | Very low | 87 Ų | 87 | 140 Ų | 140 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | | | trans | -75.3 | 177.3 | -171.6 | 61.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 353 | P | 36.6 | Very low | 33.9 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | | -134.9 | 144.9 | 93 | 37.1 | -27.1 | 0 | 0 | 0 | 115.3 | | |
| 354 | N | 27.8 | Very low | 33.6 | Very low | 142 Ų | 142 | 142 Ų | 142 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | | | trans | -69.7 | 145.5 | 168.7 | -56 | -71.9 | 0 | 0 | 0 | 111.2 | | |
| 355 | F | 35.3 | Very low | 33.7 | Very low | 197 Ų | 197 | 138.7 Ų | 138.7 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | trans | -134 | 145.6 | 151.5 | -94.2 | -84.8 | 0 | 0 | 0 | 110.6 | | |
| 356 | P | 32.9 | Very low | 33.4 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | | | trans | -100.8 | 166.2 | -158.7 | 38.9 | -34.9 | 0 | 0 | 0 | 114.9 | | |
| 357 | F | 29.2 | Very low | 33.5 | Very low | 204 Ų | 204 | 136.2 Ų | 136.2 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | | | trans | -58.2 | 139.7 | 171.3 | -72.5 | -98.8 | 0 | 0 | 0 | 113.8 | | |
| 358 | N | 30.3 | Very low | 33.2 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | | | trans | 177.5 | 146.2 | 151.9 | -98.8 | -12.7 | 0 | 0 | 0 | 107.5 | | |
| 359 | T | 28.9 | Very low | 33 | Very low | 109 Ų | 109 | 142 Ų | 142 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | | | cis | -165.8 | 148.7 | -17.8 | 6.9 | 0 | 0 | 0 | 0 | 106.5 | | |
| 360 | S | 27.6 | Very low | 32.9 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | | | trans | 43.5 | 107.1 | 156.7 | 61.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 361 | Y | 32.4 | Very low | 32.7 | Very low | 210 Ų | 210 | 141.1 Ų | 141.1 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | | | trans | -137.2 | 99.2 | 130.7 | -141.8 | -97.7 | 0 | 0 | 0 | 110.7 | E363 | Y361-E363 HydrophobicContact CD1-CB 4.29Å; Y361-E363 HydrophobicContact CE1-CB 4.41Å |
| 362 | T | 30.8 | Very low | 32.8 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | trans | -86.9 | 102 | 169.7 | 45.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 363 | E | 33.8 | Very low | 32.7 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | | | trans | -103.2 | 91.2 | 168.7 | -167.2 | 158.2 | -160.6 | 0 | 0 | 110.7 | Y361 C365 | Y361-E363 HydrophobicContact CD1-CB 4.29Å; Y361-E363 HydrophobicContact CE1-CB 4.41Å; E363-C365 PolarHBondContact O-N 3.03Å; E363-C365 VanDerWaalsContact O-N 3.14Å |
| 364 | T | 30 | Very low | 32.8 | Very low | 132 Ų | 132 | 151.5 Ų | 151.5 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | | | trans | -75.4 | 91.3 | 175.1 | 47.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 365 | C | 35.1 | Very low | 33.4 | Very low | 101 Ų | 101 | 150.2 Ų | 150.2 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | | | trans | -109.7 | 78.6 | 170.9 | -75.5 | 0 | 0 | 0 | 0 | 112.2 | E363 P367 | E363-C365 PolarHBondContact O-N 3.03Å; E363-C365 VanDerWaalsContact O-N 3.14Å; C365-P367 VanDerWaalsContact O-CD 3.3Å; C365-P367 WeakPolarHBondContact O-CD 3.22Å |
| 366 | Q | 31.7 | Very low | 34 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | trans | -88.5 | 114.9 | 164.5 | -84.7 | -82.9 | 0.1 | 0 | 0 | 110.4 | | |
| 367 | P | 41.1 | Very low | 34.5 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | | | trans | -97.1 | 87.1 | 159.8 | 34 | -28.9 | 0 | 0 | 0 | 110.1 | C365 R369 | C365-P367 VanDerWaalsContact O-CD 3.3Å; C365-P367 WeakPolarHBondContact O-CD 3.22Å; P367-R369 PolarHBondContact O-N 3.04Å |
| 368 | N | 30.7 | Very low | 35.4 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | trans | -55 | 109.4 | 163.2 | -90.8 | -50.8 | 0 | 0 | 0 | 109.9 | | |
| 369 | R | 38.2 | Very low | 36.2 | Very low | 225 Ų | 225 | 142.2 Ų | 142.2 | 85% | 0.849 | 74% | 0.743 | S | S | * | * | | | trans | -138 | 120 | 159.8 | -75.2 | -163.8 | 178.5 | -163.6 | 1.4 | 110.6 | P367 C371 | P367-R369 PolarHBondContact O-N 3.04Å; R369-C371 PolarHBondContact O-N 3.45Å |
| 370 | P | 32.5 | Very low | 36.9 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | | | trans | -67.9 | 132.6 | 170.8 | 29.4 | -32.5 | 0 | 0 | 0 | 109 | Q372 | P370-Q372 PolarHBondContact O-N 3.28Š|
| 371 | C | 32.2 | Very low | 37.8 | Very low | 134 Ų | 134 | 146.5 Ų | 146.5 | 91% | 0.905 | 75% | 0.749 | S | S | * | * | | | trans | -68.6 | 100.9 | 171.5 | -75 | 0 | 0 | 0 | 0 | 108.9 | R369 E373 | R369-C371 PolarHBondContact O-N 3.45Å; C371-E373 PolarHBondContact O-N 3.48Å |
| 372 | Q | 36.7 | Very low | 38.2 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | | | trans | -73.9 | 116.9 | 178.5 | -159.8 | 169.5 | 23.9 | 0 | 0 | 109.3 | P370 Y374 | P370-Q372 PolarHBondContact O-N 3.28Å; Q372-Y374 PolarHBondContact O-N 3.37Å |
| 373 | E | 33.1 | Very low | 38.8 | Very low | 175 Ų | 175 | 149.4 Ų | 149.4 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | -66.8 | 97 | -174.2 | -169.8 | 168.2 | -152.1 | 0 | 0 | 111 | C371 N375 | C371-E373 PolarHBondContact O-N 3.48Å; E373-N375 VanDerWaalsContact C-N 3.28Å; E373-N375 PolarHBondContact O-N 3.05Å |
| 374 | Y | 39.5 | Very low | 39.1 | Very low | 212 Ų | 212 | 153.6 Ų | 153.6 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | | | trans | -79.3 | 75.6 | -176.7 | -116.7 | -91.6 | 0 | 0 | 0 | 112.3 | Q372 S376 | Q372-Y374 PolarHBondContact O-N 3.37Å; Y374-S376 PolarHBondContact O-N 3.33Å |
| 375 | N | 40.2 | Very low | 39.5 | Very low | 116 Ų | 116 | 151.2 Ų | 151.2 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | | | trans | 26.7 | 90.1 | 148.2 | -144 | 14.2 | 0 | 0 | 0 | 117.1 | E373 N377 | E373-N375 VanDerWaalsContact C-N 3.28Å; E373-N375 PolarHBondContact O-N 3.05Å; N375-N377 PolarHBondContact O-N 3.24Å; N375-N377 VanDerWaalsContact OD1-CG 3.24Å; N375-N377 PolarHBondContact OD1-ND2 3.14Å; N375-N377 PolarHBondContact OD1-OD1 3.33Å |
| 376 | S | 47.1 | Very low | 39.6 | Very low | 82 Ų | 82 | 155.8 Ų | 155.8 | 57% | 0.573 | 76% | 0.757 | S | S | * | * | | | trans | -78.3 | 35.6 | -177.7 | 49.6 | 0 | 0 | 0 | 0 | 114.9 | Y374 | Y374-S376 PolarHBondContact O-N 3.33Š|
| 377 | N | 44.5 | Very low | 40.1 | Very low | 109 Ų | 109 | 156.9 Ų | 156.9 | 58% | 0.583 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -7.2 | -165.6 | -67.4 | 1.3 | 0 | 0 | 0 | 115.5 | N375 | N375-N377 PolarHBondContact O-N 3.24Å; N375-N377 VanDerWaalsContact OD1-CG 3.24Å; N375-N377 PolarHBondContact OD1-ND2 3.14Å; N375-N377 PolarHBondContact OD1-OD1 3.33Å |
| 378 | E | 46.2 | Very low | 40.1 | Very low | 178 Ų | 178 | 160.8 Ų | 160.8 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -3.4 | 179 | -72.5 | -171.1 | 138.2 | 0 | 0 | 114.7 | N380 | E378-N380 PolarHBondContact O-N 3.45Š|
| 379 | I | 48 | Very low | 40.3 | Very low | 128 Ų | 128 | 162 Ų | 162 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -9.2 | -170.4 | -64 | 176.6 | 0 | 0 | 0 | 113.2 | | |
| 380 | N | 44.6 | Very low | 40.4 | Very low | 132 Ų | 132 | 156.5 Ų | 156.5 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -8.6 | -175.9 | -85.5 | -30.4 | 0 | 0 | 0 | 116.1 | E378 | E378-N380 PolarHBondContact O-N 3.45Š|
| 381 | E | 44.9 | Very low | 40.5 | Very low | 167 Ų | 167 | 160.8 Ų | 160.8 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -74.9 | -31 | 174.8 | -85.3 | -78.2 | 115.4 | 0 | 0 | 112.8 | R383 | E381-R383 PolarHBondContact O-N 3.29Š|
| 382 | F | 42 | Very low | 40.8 | Very low | 170 Ų | 170 | 160.3 Ų | 160.3 | 75% | 0.746 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 4.5 | -172.2 | -74.7 | -78.9 | 0 | 0 | 0 | 115.5 | | |
| 383 | R | 43.3 | Very low | 40.8 | Very low | 224 Ų | 224 | 160.2 Ų | 160.2 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 13.7 | -172.1 | -145.5 | -178.9 | -179.6 | -155.6 | -1.9 | 115 | E381 | E381-R383 PolarHBondContact O-N 3.29Š|
| 384 | R | 39 | Very low | 40.8 | Very low | 236 Ų | 236 | 155.4 Ų | 155.4 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -124.6 | 19.1 | -174.7 | -147.8 | -173.2 | -70.4 | -165.3 | 0 | 115.1 | | |
| 385 | S | 40 | Very low | 40.9 | Very low | 81 Ų | 81 | 151.9 Ų | 151.9 | 57% | 0.566 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -133.3 | 16.8 | -167 | 46 | 0 | 0 | 0 | 0 | 116.1 | | |
| 386 | F | 36.5 | Very low | 40.8 | Very low | 198 Ų | 198 | 149.4 Ų | 149.4 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -119.5 | 22.5 | 179.4 | -75.4 | -75.2 | 0 | 0 | 0 | 114.6 | | |
| 387 | E | 40.9 | Very low | 40.5 | Very low | 183 Ų | 183 | 156.9 Ų | 156.9 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -126.5 | 63 | 179.1 | -165.3 | 173.1 | -161.5 | 0 | 0 | 111.3 | | |
| 388 | K | 41.6 | Very low | 40.5 | Very low | 193 Ų | 193 | 161.7 Ų | 161.7 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | S | Bend | trans | 164.2 | 98.5 | 162.7 | -94.3 | 153.8 | -174.3 | 174.5 | 0 | 107.3 | | |
| 389 | D | 35.8 | Very low | 40 | Very low | 172 Ų | 172 | 157 Ų | 157 | 92% | 0.92 | 81% | 0.806 | S | S | * | * | | | trans | -178.7 | 72.7 | 152.9 | -93.7 | -20.8 | 0 | 0 | 0 | 109.7 | | |
| 390 | C | 38.9 | Very low | 39.8 | Very low | 111 Ų | 111 | 160.3 Ų | 160.3 | 75% | 0.75 | 82% | 0.816 | S | S | * | * | | | trans | -127.5 | 116.3 | 167.1 | -82 | 0 | 0 | 0 | 0 | 108.8 | | |
| 391 | Y | 35.2 | Very low | 39.7 | Very low | 212 Ų | 212 | 161 Ų | 161 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | | | trans | 69.6 | 106.9 | 171.2 | -49.4 | -75.5 | 0 | 0 | 0 | 118.5 | | |
| 392 | S | 37.9 | Very low | 39.6 | Very low | 123 Ų | 123 | 161.4 Ų | 161.4 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | | | | -151.6 | 122.1 | 110.7 | -81.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 393 | I | 38.2 | Very low | 39.6 | Very low | 163 Ų | 163 | 157.7 Ų | 157.7 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | | | trans | -69.6 | 138.9 | 176 | -71.4 | 164.5 | 0 | 0 | 0 | 108.9 | | |
| 394 | G | 33.4 | Very low | 39.4 | Very low | 74 Ų | 74 | 154 Ų | 154 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | | | trans | -70.4 | 147 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 395 | C | 40.5 | Very low | 39.8 | Very low | 137 Ų | 137 | 152 Ų | 152 | 93% | 0.926 | 81% | 0.81 | S | S | * | * | | | trans | -132.1 | 130 | 155.6 | -164.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 396 | G | 38 | Very low | 40.1 | Very low | 64 Ų | 64 | 155.2 Ų | 155.2 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | | | trans | -102.1 | 151 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 397 | R | 41.5 | Very low | 40.6 | Very low | 239 Ų | 239 | 151.5 Ų | 151.5 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | | | trans | 85.8 | 122.1 | 158.2 | -61.1 | -170.3 | -85.4 | -151.8 | -4.1 | 119.4 | | |
| 398 | K | 43.8 | Very low | 40.7 | Very low | 211 Ų | 211 | 151.8 Ų | 151.8 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | | | trans | 70.6 | 106.5 | 143.1 | -73.1 | -175.7 | 171.1 | -175.4 | 0 | 119 | | |
| 399 | G | 36.1 | Very low | 40.9 | Very low | 79 Ų | 79 | 149 Ų | 149 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | | | trans | 176.6 | 110.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 400 | K | 44 | Very low | 41.3 | Very low | 197 Ų | 197 | 147.4 Ų | 147.4 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | | | trans | -87.4 | 166.8 | 172.1 | -72.9 | -174 | 170.7 | -175.5 | 0 | 109.8 | | |
| 401 | I | 42.9 | Very low | 41.5 | Very low | 148 Ų | 148 | 150.7 Ų | 150.7 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | trans | 93.2 | 89.7 | 159.9 | -57.6 | 143.1 | 0 | 0 | 0 | 115 | | |
| 402 | E | 41.9 | Very low | 41.8 | Very low | 175 Ų | 175 | 150.9 Ų | 150.9 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | | 64.3 | 102.3 | 114.7 | -160.9 | 171.3 | -167.3 | 0 | 0 | 119.8 | | |
| 403 | S | 41.2 | Very low | 42.1 | Very low | 92 Ų | 92 | 150.9 Ų | 150.9 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | | | | -179.8 | 82.7 | 116.6 | 49.8 | 0 | 0 | 0 | 0 | 112.8 | K405 | S403-K405 PolarHBondContact O-N 3.16Š|
| 404 | D | 41 | Very low | 42.2 | Very low | 145 Ų | 145 | 148 Ų | 148 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 36.6 | -177.6 | -131.2 | -7.9 | 0 | 0 | 0 | 114 | | |
| 405 | K | 47.5 | Very low | 42.4 | Very low | 194 Ų | 194 | 155.7 Ų | 155.7 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -11.8 | 177.5 | -80 | -173.1 | 176 | 178 | 0 | 114.1 | S403 | S403-K405 PolarHBondContact O-N 3.16Š|
| 406 | Q | 46.2 | Very low | 42.4 | Very low | 149 Ų | 149 | 158.5 Ų | 158.5 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -93.4 | -15.4 | -179.7 | -66 | -172.1 | 0.3 | 0 | 0 | 114.2 | K408 E409 | Q406-K408 PolarHBondContact O-N 2.85Å; Q406-K408 VanDerWaalsContact O-N 3.16Å; Q406-E409 PolarHBondContact O-N 2.95Å; Q406-E409 VanDerWaalsContact O-N 3.1Å |
| 407 | L | 46.2 | Very low | 42.2 | Very low | 120 Ų | 120 | 164.7 Ų | 164.7 | 63% | 0.628 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -16.8 | -174.9 | -163.8 | 60.6 | 0 | 0 | 0 | 114.2 | | |
| 408 | K | 41.9 | Very low | 42.1 | Very low | 189 Ų | 189 | 158.8 Ų | 158.8 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -10.1 | 173.7 | -82.8 | -174 | 174.5 | 178.7 | 0 | 115 | Q406 | Q406-K408 PolarHBondContact O-N 2.85Å; Q406-K408 VanDerWaalsContact O-N 3.16Å |
| 409 | E | 46.8 | Very low | 41.9 | Very low | 136 Ų | 136 | 154 Ų | 154 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -34.7 | 179.7 | -149.9 | 107.8 | -129.7 | 0 | 0 | 111.4 | Q406 Q411 R412 N413 | Q406-E409 PolarHBondContact O-N 2.95Å; Q406-E409 VanDerWaalsContact O-N 3.1Å; E409-Q411 PolarHBondContact O-N 2.75Å; E409-R412 PolarHBondContact O-N 3.46Å; E409-N413 PolarHBondContact O-ND2 3.08Å |
| 410 | L | 43.5 | Very low | 42 | Very low | 138 Ų | 138 | 160.8 Ų | 160.8 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -23.3 | 179.1 | -106.3 | 148.8 | 0 | 0 | 0 | 113.9 | | |
| 411 | Q | 43 | Very low | 41.6 | Very low | 179 Ų | 179 | 156.5 Ų | 156.5 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -3.9 | 179.7 | -138.4 | 177.1 | 27.6 | 0 | 0 | 114.4 | E409 | E409-Q411 PolarHBondContact O-N 2.75Š|
| 412 | R | 43.4 | Very low | 41.3 | Very low | 217 Ų | 217 | 157.2 Ų | 157.2 | 82% | 0.819 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | -13.9 | 176.7 | -94 | -178.7 | 171.5 | 163.5 | -2.3 | 114.9 | E409 | E409-R412 PolarHBondContact O-N 3.46Š|
| 413 | N | 42.2 | Very low | 41 | Very low | 122 Ų | 122 | 152.1 Ų | 152.1 | 65% | 0.652 | 76% | 0.756 | S | S | * | * | | | trans | -91.9 | 0.6 | -169.8 | -68.3 | -24.8 | 0 | 0 | 0 | 115.1 | E409 R415 | E409-N413 PolarHBondContact O-ND2 3.08Å; N413-R415 PolarHBondContact O-N 2.9Å |
| 414 | A | 41.1 | Very low | 41 | Very low | 104 Ų | 104 | 155.7 Ų | 155.7 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -80.2 | 19.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 415 | R | 37.1 | Very low | 40.9 | Very low | 235 Ų | 235 | 154.5 Ų | 154.5 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | | | trans | -137.2 | 51.2 | -175.6 | -149.6 | 178.4 | -167.5 | -172.6 | 3.8 | 113.7 | N413 | N413-R415 PolarHBondContact O-N 2.9Š|
| 416 | K | 40.3 | Very low | 40.3 | Very low | 195 Ų | 195 | 151 Ų | 151 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | | | trans | -142.7 | 100.2 | 165.8 | -73.3 | -171.3 | 178.3 | 178.4 | 0 | 111.4 | | |
| 417 | H | 34.1 | Very low | 40.1 | Very low | 194 Ų | 194 | 151.3 Ų | 151.3 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | | | trans | -113.7 | 138.9 | 151 | -79.5 | -26.8 | 0 | 0 | 0 | 108.5 | | |
| 418 | P | 40.9 | Very low | 39.8 | Very low | 115 Ų | 115 | 153.9 Ų | 153.9 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | | | trans | -86.2 | 138.7 | -179.1 | 33.8 | -33.3 | 0 | 0 | 0 | 112.8 | | |
| 419 | V | 38.8 | Very low | 39.3 | Very low | 110 Ų | 110 | 152.6 Ų | 152.6 | 67% | 0.667 | 77% | 0.768 | S | S | * | * | | | | 32.9 | 115.7 | 128.7 | -173.7 | 0 | 0 | 0 | 0 | 118.6 | | |
| 420 | Y | 38.7 | Very low | 38.8 | Very low | 223 Ų | 223 | 154.4 Ų | 154.4 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | | | | -166.4 | 99.8 | 119.6 | -87.3 | -70 | 0 | 0 | 0 | 106.2 | | |
| 421 | T | 35.6 | Very low | 38.4 | Very low | 106 Ų | 106 | 155.6 Ų | 155.6 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | | | | 29 | 114.7 | 96.8 | 13.2 | 0 | 0 | 0 | 0 | 113 | | |
| 422 | M | 36.6 | Very low | 38 | Very low | 163 Ų | 163 | 153.1 Ų | 153.1 | 80% | 0.803 | 78% | 0.784 | S | S | * | * | | | | -132.3 | 123.1 | 60.6 | -61.2 | -74.3 | -83.6 | 0 | 0 | 110.8 | | |
| 423 | A | 36 | Very low | 37.6 | Very low | 68 Ų | 68 | 151.8 Ų | 151.8 | 56% | 0.562 | 78% | 0.784 | S | S | * | * | | | | 68.6 | 102.6 | 86.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | I425 | A423-I425 PolarHBondContact O-N 3.24Š|
| 424 | D | 39.9 | Very low | 37.4 | Very low | 168 Ų | 168 | 154.9 Ų | 154.9 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | | | trans | -62.3 | 114.5 | 169 | -57.3 | -68.5 | 0 | 0 | 0 | 109.9 | | |
| 425 | I | 39.2 | Very low | 37 | Very low | 120 Ų | 120 | 155 Ų | 155 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | | | trans | -112.1 | 111.4 | 170.6 | -59.1 | 176.3 | 0 | 0 | 0 | 107.2 | A423 L427 | A423-I425 PolarHBondContact O-N 3.24Å; I425-L427 HydrophobicContact CG2-CB 4.4Å; I425-L427 HydrophobicContact CG2-CD1 3.85Å; I425-L427 PolarHBondContact O-N 3.46Å |
| 426 | P | 35.3 | Very low | 37 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | trans | -72.5 | 112.8 | 162 | 30.5 | -28.4 | 0 | 0 | 0 | 106.9 | | |
| 427 | L | 41.2 | Very low | 36.8 | Very low | 155 Ų | 155 | 146.6 Ų | 146.6 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | trans | -112.5 | 123.1 | 172.2 | -144.4 | 82.7 | 0 | 0 | 0 | 110.2 | I425 | I425-L427 HydrophobicContact CG2-CB 4.4Å; I425-L427 HydrophobicContact CG2-CD1 3.85Å; I425-L427 PolarHBondContact O-N 3.46Å |
| 428 | E | 39.4 | Very low | 36.8 | Very low | 174 Ų | 174 | 146.5 Ų | 146.5 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | | | trans | -68.4 | 143.7 | -178.7 | -68.1 | 149 | 129 | 0 | 0 | 112 | | |
| 429 | E | 32.5 | Very low | 36.6 | Very low | 162 Ų | 162 | 148 Ų | 148 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | | | trans | 40.7 | 87.7 | 134.1 | -163 | 172 | -145.6 | 0 | 0 | 118.2 | | |
| 430 | L | 37.2 | Very low | 36.7 | Very low | 174 Ų | 174 | 151.2 Ų | 151.2 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | | | trans | -131.2 | 91.7 | 150.9 | -80 | 179.7 | 0 | 0 | 0 | 111.2 | | |
| 431 | H | 33.9 | Very low | 36.8 | Very low | 164 Ų | 164 | 147.1 Ų | 147.1 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | | | trans | -64.8 | 130.3 | 164 | -79.2 | -79.6 | 0 | 0 | 0 | 110.8 | | |
| 432 | C | 33.7 | Very low | 36.7 | Very low | 127 Ų | 127 | 150.8 Ų | 150.8 | 86% | 0.858 | 79% | 0.788 | S | S | * | * | | | trans | -138.9 | 101.4 | 154.3 | -152.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 433 | K | 36.8 | Very low | 36.7 | Very low | 189 Ų | 189 | 149.6 Ų | 149.6 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | -81 | 129 | 162.4 | -70.1 | 177.8 | 176.3 | 179 | 0 | 107.9 | | |
| 434 | Q | 36.1 | Very low | 36.9 | Very low | 186 Ų | 186 | 152.3 Ų | 152.3 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | | | trans | -165.5 | 115.8 | 135.3 | -111.4 | 163.8 | 9.2 | 0 | 0 | 111 | | |
| 435 | S | 33.5 | Very low | 36.9 | Very low | 107 Ų | 107 | 152.5 Ų | 152.5 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | | | trans | -75.7 | 139.6 | 160.9 | 47.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 436 | C | 37.4 | Very low | 36.8 | Very low | 94 Ų | 94 | 154.8 Ų | 154.8 | 64% | 0.635 | 80% | 0.8 | S | S | * | * | | | trans | -135.4 | 100 | 160.8 | -85.5 | 0 | 0 | 0 | 0 | 108 | F438 | C436-F438 HydrophobicContact CB-CD2 3.98Å; C436-F438 HydrophobicContact CB-CE2 3.67Å |
| 437 | D | 36.1 | Very low | 37 | Very low | 159 Ų | 159 | 160.6 Ų | 160.6 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | | | trans | -64.2 | 130.1 | 155.1 | -64 | -53.3 | 0 | 0 | 0 | 107.7 | | |
| 438 | F | 34.9 | Very low | 37 | Very low | 192 Ų | 192 | 164.6 Ų | 164.6 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | | | trans | -119.2 | 103.6 | 169.9 | -86.4 | -76.2 | 0 | 0 | 0 | 108.8 | C436 | C436-F438 HydrophobicContact CB-CD2 3.98Å; C436-F438 HydrophobicContact CB-CE2 3.67Å |
| 439 | D | 36.4 | Very low | 37.4 | Very low | 147 Ų | 147 | 160 Ų | 160 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | | | trans | -125 | 100.8 | 169.5 | -165 | 18.4 | 0 | 0 | 0 | 108.3 | | |
| 440 | Q | 40.4 | Very low | 37.7 | Very low | 178 Ų | 178 | 160.8 Ų | 160.8 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | | | trans | -175.4 | 107.8 | 162.1 | -109.4 | 154.4 | 89.7 | 0 | 0 | 113.3 | | |
| 441 | N | 39.7 | Very low | 37.8 | Very low | 137 Ų | 137 | 158 Ų | 158 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | | | | 47.3 | 107.4 | 127.1 | -56.4 | -13.8 | 0 | 0 | 0 | 121.2 | | |
| 442 | E | 34.6 | Very low | 38.1 | Very low | 183 Ų | 183 | 156.5 Ų | 156.5 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | | | | 69.9 | 152.1 | 120.5 | -145.5 | 178.5 | 165.2 | 0 | 0 | 122.2 | | |
| 443 | I | 37.3 | Very low | 38.5 | Very low | 138 Ų | 138 | 157.9 Ų | 157.9 | 71% | 0.708 | 81% | 0.813 | S | S | * | * | | | trans | 86.6 | 99.8 | 169.2 | -46.8 | 173.6 | 0 | 0 | 0 | 116.6 | | |
| 444 | P | 39.3 | Very low | 38.7 | Very low | 124 Ų | 124 | 158.6 Ų | 158.6 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | | | trans | -96.1 | 134.5 | 162.3 | 34.8 | -28 | 0 | 0 | 0 | 111.9 | | |
| 445 | M | 40.4 | Very low | 38.9 | Very low | 172 Ų | 172 | 153.6 Ų | 153.6 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | | | trans | -143.3 | 107.5 | 163.9 | -163.1 | 171 | -69 | 0 | 0 | 113.5 | | |
| 446 | E | 37.5 | Very low | 39.2 | Very low | 168 Ų | 168 | 157 Ų | 157 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | | | trans | -2.4 | 127.1 | 150 | -175.2 | 178.7 | -152.6 | 0 | 0 | 119.1 | | |
| 447 | R | 38.4 | Very low | 39.3 | Very low | 243 Ų | 243 | 158.4 Ų | 158.4 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | | | | -165.5 | 136.7 | 123.4 | -108.1 | 168.5 | -167.6 | -133.7 | 2.1 | 116.1 | | |
| 448 | R | 41.2 | Very low | 39.4 | Very low | 238 Ų | 238 | 159.6 Ų | 159.6 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | | | trans | -28 | 136.9 | 167.7 | -73.1 | 171.4 | 166.3 | -137.3 | -1.7 | 117.3 | | |
| 449 | G | 47.2 | Very low | 39.8 | Very low | 79 Ų | 79 | 156 Ų | 156 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | | | trans | -157 | 107.7 | 155.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 450 | M | 40.3 | Very low | 40 | Very low | 177 Ų | 177 | 155.1 Ų | 155.1 | 87% | 0.872 | 83% | 0.829 | S | S | * | * | | | trans | -89.3 | 134.5 | 176.1 | -73.9 | 154.4 | 51.9 | 0 | 0 | 110.8 | | |
| 451 | C | 39 | Very low | 40.2 | Very low | 117 Ų | 117 | 155.2 Ų | 155.2 | 79% | 0.791 | 83% | 0.829 | S | S | * | * | | | trans | 177.2 | 122.1 | 138.4 | -94.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 452 | P | 39 | Very low | 40.7 | Very low | 131 Ų | 131 | 157.6 Ų | 157.6 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | | | trans | -93 | 125.1 | 168.9 | 33.7 | -28.3 | 0 | 0 | 0 | 111.1 | | |
| 453 | L | 43.9 | Very low | 41.2 | Very low | 157 Ų | 157 | 156.1 Ų | 156.1 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | | | trans | -127.7 | 107 | 176.9 | -96.5 | 163.8 | 0 | 0 | 0 | 112.1 | | |
| 454 | K | 40.2 | Very low | 41.2 | Very low | 203 Ų | 203 | 158.3 Ų | 158.3 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | | | trans | 26.4 | 93.8 | 158.1 | -68.1 | -174.9 | 173.7 | -178.4 | 0 | 118 | | |
| 455 | G | 40 | Very low | 41.2 | Very low | 82 Ų | 82 | 159.5 Ų | 159.5 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | | | trans | -87.8 | 118.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 456 | Q | 39.9 | Very low | 41.2 | Very low | 177 Ų | 177 | 158.1 Ų | 158.1 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | | | trans | -14 | 140.7 | 159.9 | -170.3 | 171.1 | -0.3 | 0 | 0 | 118.9 | | |
| 457 | P | 39.2 | Very low | 41.2 | Very low | 125 Ų | 125 | 155.1 Ų | 155.1 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 129.3 | 174.3 | 30.1 | -33.9 | 0 | 0 | 0 | 111.7 | | |
| 458 | M | 38.9 | Very low | 41.4 | Very low | 184 Ų | 184 | 148.5 Ų | 148.5 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 134.6 | 168.9 | -82.9 | -173.3 | -76.8 | 0 | 0 | 111 | T460 | M458-T460 PolarHBondContact O-N 2.84Š|
| 459 | S | 43.7 | Very low | 41.6 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 125.2 | 172.2 | 47.1 | 0 | 0 | 0 | 0 | 111.3 | E461 | S459-E461 PolarHBondContact O-N 3Š|
| 460 | T | 39.6 | Very low | 41.3 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | trans | -72.2 | 104.1 | 175.6 | -45.1 | 0 | 0 | 0 | 0 | 110.8 | M458 K462 | M458-T460 PolarHBondContact O-N 2.84Å; T460-K462 PolarHBondContact O-N 3Å |
| 461 | E | 44.8 | Very low | 41.6 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | | | trans | -71.4 | 119.5 | 166.8 | -170.5 | 170.7 | -171.8 | 0 | 0 | 109.3 | S459 I463 | S459-E461 PolarHBondContact O-N 3Å; E461-I463 PolarHBondContact O-N 3.25Å |
| 462 | K | 51.1 | Low | 41.7 | Very low | 187 Ų | 187 | 147 Ų | 147 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | | | trans | -84.7 | 108 | 179.8 | -71.6 | -173.2 | 177.5 | -177.2 | 0 | 109.6 | T460 Y464 | T460-K462 PolarHBondContact O-N 3Å; K462-Y464 PolarHBondContact O-N 3.12Å; K462-Y464 VanDerWaalsContact O-N 3.1Å |
| 463 | I | 44.5 | Very low | 41.9 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 77% | 0.774 | 80% | 0.798 | S | S | * | * | | | trans | -61.7 | 111.5 | 170.3 | -55.4 | 174.1 | 0 | 0 | 0 | 108.5 | E461 L465 | E461-I463 PolarHBondContact O-N 3.25Å; I463-L465 HydrophobicContact CG2-CG 4.34Å; I463-L465 PolarHBondContact O-N 3.15Å |
| 464 | Y | 37.5 | Very low | 42 | Very low | 185 Ų | 185 | 144 Ų | 144 | 73% | 0.725 | 80% | 0.801 | S | S | * | * | | | trans | -85.7 | 88.9 | 177.5 | -166.7 | -97.3 | 0 | 0 | 0 | 109.5 | K462 E466 | K462-Y464 PolarHBondContact O-N 3.12Å; K462-Y464 VanDerWaalsContact O-N 3.1Å; Y464-E466 HydrophobicContact CD1-CB 4.05Å; Y464-E466 HydrophobicContact CE1-CB 3.78Å; Y464-E466 HydrophobicContact CE1-CG 4.09Å; Y464-E466 VanDerWaalsContact CE1-OE1 3.26Å; Y464-E466 WeakPolarHBondContact CE1-OE1 3.34Å; Y464-E466 PolarHBondContact O-N 3.47Å; Y464-E466 VanDerWaalsContact O-N 3.14Å; Y464-E466 PolarHBondContact OH-OE1 3.31Å |
| 465 | L | 39.2 | Very low | 42.4 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | | | trans | -78.9 | 84.3 | 175.1 | -99 | 163.2 | 0 | 0 | 0 | 110.5 | I463 S467 | I463-L465 HydrophobicContact CG2-CG 4.34Å; I463-L465 PolarHBondContact O-N 3.15Å; L465-S467 PolarHBondContact O-N 3.24Å; L465-S467 VanDerWaalsContact O-N 3.13Å |
| 466 | E | 41.2 | Very low | 42.6 | Very low | 142 Ų | 142 | 146.2 Ų | 146.2 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | | | trans | -80.5 | 93.2 | 173.1 | -158.7 | 156.9 | -112.6 | 0 | 0 | 110.6 | Y464 | Y464-E466 HydrophobicContact CD1-CB 4.05Å; Y464-E466 HydrophobicContact CE1-CB 3.78Å; Y464-E466 HydrophobicContact CE1-CG 4.09Å; Y464-E466 VanDerWaalsContact CE1-OE1 3.26Å; Y464-E466 WeakPolarHBondContact CE1-OE1 3.34Å; Y464-E466 PolarHBondContact O-N 3.47Å; Y464-E466 VanDerWaalsContact O-N 3.14Å; Y464-E466 PolarHBondContact OH-OE1 3.31Å |
| 467 | S | 36.2 | Very low | 43.2 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | | | trans | -76.1 | 119.1 | 170.9 | -67.4 | 0 | 0 | 0 | 0 | 110.3 | L465 | L465-S467 PolarHBondContact O-N 3.24Å; L465-S467 VanDerWaalsContact O-N 3.13Å |
| 468 | S | 43.3 | Very low | 44.1 | Very low | 104 Ų | 104 | 141.7 Ų | 141.7 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -149.8 | 94.5 | 165.3 | -82.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 469 | Q | 45 | Very low | 44.9 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | | | trans | 36.5 | 132.9 | 137.6 | -56.8 | -177.8 | -2.8 | 0 | 0 | 120.8 | | |
| 470 | S | 40.8 | Very low | 45.7 | Very low | 111 Ų | 111 | 144 Ų | 144 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | 77.8 | 136.6 | 148.3 | -151.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 471 | S | 45.8 | Very low | 46.3 | Very low | 93 Ų | 93 | 144.2 Ų | 144.2 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | | | cis | -165.9 | 156.6 | -10.4 | -98.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 472 | Q | 42.6 | Very low | 46.4 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | | | trans | 63.9 | 82.4 | 158.4 | -65.4 | 174.4 | 31.4 | 0 | 0 | 118.9 | | |
| 473 | S | 42.6 | Very low | 46.2 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -81.6 | 119.6 | 148.8 | -53.9 | 0 | 0 | 0 | 0 | 109.5 | S475 | S473-S475 PolarHBondContact O-N 2.97Š|
| 474 | A | 45.5 | Very low | 46.5 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 88% | 0.876 | 77% | 0.769 | S | S | * | * | | | trans | -76.7 | 82.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y476 | A474-Y476 PolarHBondContact O-N 3.46Š|
| 475 | S | 49.5 | Very low | 46.7 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | trans | -69.8 | 111.5 | 172.6 | 56.2 | 0 | 0 | 0 | 0 | 110.6 | S473 S477 | S473-S475 PolarHBondContact O-N 2.97Å; S475-S477 PolarHBondContact O-N 3.49Å |
| 476 | Y | 43.3 | Very low | 46.7 | Very low | 225 Ų | 225 | 135.4 Ų | 135.4 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | | | trans | -71.1 | 97.9 | 176.2 | -155.1 | -90 | 0 | 0 | 0 | 109.8 | A474 | A474-Y476 PolarHBondContact O-N 3.46Š|
| 477 | S | 53.2 | Low | 46.6 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 121.8 | 175.1 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | S475 R479 | S475-S477 PolarHBondContact O-N 3.49Å; S477-R479 PolarHBondContact O-N 3.2Å |
| 478 | P | 58.5 | Low | 47 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 124.2 | 170.8 | -14.4 | 28.8 | 0 | 0 | 0 | 108.8 | | |
| 479 | R | 54.6 | Low | 46.8 | Very low | 228 Ų | 228 | 136 Ų | 136 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 136.6 | 170 | -77.1 | -170.2 | 172.4 | -163.7 | -3.2 | 109.1 | S477 T481 | S477-R479 PolarHBondContact O-N 3.2Å; R479-T481 PolarHBondContact O-N 2.98Å; R479-T481 VanDerWaalsContact O-N 3.1Å |
| 480 | P | 60.8 | Low | 46.8 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | | | trans | -67.7 | 109.3 | 165.3 | 27.6 | -29.4 | 0 | 0 | 0 | 107.8 | E482 | P480-E482 PolarHBondContact O-N 3.44Š|
| 481 | T | 52 | Low | 47.2 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -70.8 | 124.7 | 164.1 | -54.8 | 0 | 0 | 0 | 0 | 107.3 | R479 S483 | R479-T481 PolarHBondContact O-N 2.98Å; R479-T481 VanDerWaalsContact O-N 3.1Å; T481-S483 PolarHBondContact O-N 2.9Å; T481-S483 VanDerWaalsContact O-N 3.1Å |
| 482 | E | 47.4 | Very low | 47 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | | | trans | -62.7 | 114.4 | -179.3 | -66.8 | -179.2 | 167.8 | 0 | 0 | 110.3 | P480 T484 | P480-E482 PolarHBondContact O-N 3.44Å; E482-T484 VanDerWaalsContact C-N 3.29Å; E482-T484 PolarHBondContact O-N 3.32Å |
| 483 | S | 47.7 | Very low | 47.2 | Very low | 89 Ų | 89 | 135.3 Ų | 135.3 | 62% | 0.622 | 78% | 0.782 | S | S | * | * | | | trans | -83 | 73.5 | 178.6 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | T481 F485 | T481-S483 PolarHBondContact O-N 2.9Å; T481-S483 VanDerWaalsContact O-N 3.1Å; S483-F485 PolarHBondContact O-N 3.11Å; S483-F485 WeakPolarHBondContact OG-CD2 3.47Å; S483-F485 WeakPolarHBondContact OG-CE2 3.5Å |
| 484 | T | 50.1 | Low | 47.4 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 73% | 0.73 | 79% | 0.787 | S | S | * | * | | | trans | -77.4 | 95 | 161.4 | 47.4 | 0 | 0 | 0 | 0 | 109 | E482 S486 | E482-T484 VanDerWaalsContact C-N 3.29Å; E482-T484 PolarHBondContact O-N 3.32Å; T484-S486 VanDerWaalsContact C-N 3.3Å; T484-S486 PolarHBondContact O-N 2.89Å |
| 485 | F | 41.9 | Very low | 47.5 | Very low | 184 Ų | 184 | 137.9 Ų | 137.9 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | | | trans | -63.9 | 92.3 | 162.8 | -77.6 | -85.9 | 0 | 0 | 0 | 109.6 | S483 | S483-F485 PolarHBondContact O-N 3.11Å; S483-F485 WeakPolarHBondContact OG-CD2 3.47Å; S483-F485 WeakPolarHBondContact OG-CE2 3.5Å |
| 486 | S | 39.4 | Very low | 47.6 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | trans | -96.4 | 107.4 | 156.4 | -71.2 | 0 | 0 | 0 | 0 | 107.8 | T484 S488 | T484-S486 VanDerWaalsContact C-N 3.3Å; T484-S486 PolarHBondContact O-N 2.89Å; S486-S488 PolarHBondContact O-N 3.33Å |
| 487 | S | 39.1 | Very low | 47.9 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | | | trans | -68 | 101 | 173.9 | -61.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 488 | S | 43.7 | Very low | 47.5 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | | | trans | -131.7 | 111 | 161.5 | -69.4 | 0 | 0 | 0 | 0 | 108.7 | S486 D490 | S486-S488 PolarHBondContact O-N 3.33Å; S488-D490 PolarHBondContact O-N 3.09Å |
| 489 | T | 39.7 | Very low | 46.9 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | | | trans | -68.4 | 109.1 | 166.4 | 36.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 490 | D | 44.5 | Very low | 46.4 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | | | trans | -135.3 | 129.4 | 160.4 | -87.3 | -50.3 | 0 | 0 | 0 | 109.6 | S488 I492 | S488-D490 PolarHBondContact O-N 3.09Å; D490-I492 PolarHBondContact O-N 3.45Å |
| 491 | L | 48.6 | Very low | 45.6 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | | | trans | -76.8 | 87.1 | 177.1 | -67.6 | 167.8 | 0 | 0 | 0 | 108.9 | S493 | L491-S493 PolarHBondContact O-N 3.47Š|
| 492 | I | 43.1 | Very low | 45 | Very low | 158 Ų | 158 | 142.8 Ų | 142.8 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | | | trans | -73.2 | 83.6 | 165.3 | -67.2 | 177.7 | 0 | 0 | 0 | 107.8 | D490 | D490-I492 PolarHBondContact O-N 3.45Š|
| 493 | S | 46.6 | Very low | 44.6 | Very low | 91 Ų | 91 | 140.9 Ų | 140.9 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | | | trans | -66.3 | 124.3 | 165.1 | -179 | 0 | 0 | 0 | 0 | 108.8 | L491 D495 | L491-S493 PolarHBondContact O-N 3.47Å; S493-D495 PolarHBondContact O-N 3.32Å |
| 494 | E | 45.4 | Very low | 44.3 | Very low | 201 Ų | 201 | 145.2 Ų | 145.2 | 94% | 0.939 | 77% | 0.772 | S | S | * | * | | | trans | -75.2 | 66.1 | 169.7 | -65.1 | -173.7 | 111.9 | 0 | 0 | 110.4 | | |
| 495 | D | 48.4 | Very low | 43.6 | Very low | 76 Ų | 76 | 147.3 Ų | 147.3 | 41% | 0.406 | 78% | 0.778 | S | S | . | * | | | trans | -121.8 | 83.2 | 167.8 | -174.6 | 12.3 | 0 | 0 | 0 | 110.2 | S493 Q498 | S493-D495 PolarHBondContact O-N 3.32Å; D495-Q498 PolarHBondContact OD2-NE2 3.32Å |
| 496 | E | 51.6 | Low | 43.5 | Very low | 166 Ų | 166 | 144 Ų | 144 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | -112.7 | 22.9 | -179.7 | -90.9 | -101.1 | 112.6 | 0 | 0 | 112 | | |
| 497 | D | 49.2 | Very low | 43.6 | Very low | 137 Ų | 137 | 146.4 Ų | 146.4 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -110 | -0.6 | 177.4 | -82.2 | -38 | 0 | 0 | 0 | 113.5 | | |
| 498 | Q | 46 | Very low | 43.8 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -98.2 | -15.9 | 178.5 | -69.8 | -165.6 | 72.5 | 0 | 0 | 116.5 | D495 Q500 | D495-Q498 PolarHBondContact OD2-NE2 3.32Å; Q498-Q500 VanDerWaalsContact C-N 3.34Å; Q498-Q500 PolarHBondContact O-N 3.35Å |
| 499 | I | 44.5 | Very low | 43.6 | Very low | 131 Ų | 131 | 155.4 Ų | 155.4 | 67% | 0.672 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -4.7 | -168.2 | -62.6 | 176.6 | 0 | 0 | 0 | 113.6 | | |
| 500 | Q | 43.8 | Very low | 43.4 | Very low | 191 Ų | 191 | 152.7 Ų | 152.7 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 19.1 | -175.3 | -158.9 | 153 | 62.5 | 0 | 0 | 115.6 | Q498 | Q498-Q500 VanDerWaalsContact C-N 3.34Å; Q498-Q500 PolarHBondContact O-N 3.35Å |
| 501 | Q | 44.8 | Very low | 43.2 | Very low | 180 Ų | 180 | 151.7 Ų | 151.7 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -118.7 | 4.3 | 172.9 | -68 | -170.4 | 19.3 | 0 | 0 | 115.1 | | |
| 502 | Q | 38.9 | Very low | 42.5 | Very low | 181 Ų | 181 | 151.6 Ų | 151.6 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -104.4 | 29.8 | -176.8 | -66.6 | -166.9 | -5.5 | 0 | 0 | 114.9 | | |
| 503 | T | 39.5 | Very low | 42.1 | Very low | 131 Ų | 131 | 149.9 Ų | 149.9 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -120.6 | 5.2 | 177.3 | -27.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 504 | E | 40.7 | Very low | 41.5 | Very low | 180 Ų | 180 | 152.1 Ų | 152.1 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -130 | 73.4 | 168.9 | -74.5 | -175 | 129.5 | 0 | 0 | 109.5 | | |
| 505 | D | 37 | Very low | 40.9 | Very low | 162 Ų | 162 | 146 Ų | 146 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | | | trans | 175.7 | 93.7 | 146.7 | -94.6 | -25.7 | 0 | 0 | 0 | 110.6 | | |
| 506 | S | 38.4 | Very low | 40 | Very low | 114 Ų | 114 | 150 Ų | 150 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | trans | -152.3 | 68.6 | 173.8 | -80.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 507 | N | 42.8 | Very low | 39 | Very low | 156 Ų | 156 | 148.3 Ų | 148.3 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | | | trans | -160.7 | 76.1 | 168.1 | -93.7 | -44.6 | 0 | 0 | 0 | 112.1 | | |
| 508 | K | 43.1 | Very low | 38 | Very low | 207 Ų | 207 | 147.2 Ų | 147.2 | 90% | 0.9 | 81% | 0.806 | S | S | * | * | | | trans | 162.7 | 82.6 | 139.8 | -84.9 | 153.5 | -169.2 | 175.1 | 0 | 114.6 | | |
| 509 | K | 37.9 | Very low | 37.1 | Very low | 204 Ų | 204 | 148.7 Ų | 148.7 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | | | | 40.9 | 117.1 | 123.8 | -167.6 | 175.8 | -176 | 179 | 0 | 121.1 | | |
| 510 | A | 37.5 | Very low | 36.4 | Very low | 86 Ų | 86 | 150.7 Ų | 150.7 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | | | trans | 67.1 | 145 | 149 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 511 | T | 38.6 | Very low | 35.5 | Very low | 119 Ų | 119 | 150.5 Ų | 150.5 | 73% | 0.73 | 82% | 0.821 | S | S | * | * | | | cis | -154.1 | 120.8 | 10.3 | -8.9 | 0 | 0 | 0 | 0 | 106 | | |
| 512 | E | 33.8 | Very low | 35 | Very low | 174 Ų | 174 | 151.2 Ų | 151.2 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | | | | 60.2 | 112.4 | 101 | -160.7 | 173.3 | -137.2 | 0 | 0 | 116 | | |
| 513 | T | 34.7 | Very low | 34.7 | Very low | 121 Ų | 121 | 150.5 Ų | 150.5 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | | | trans | 157 | 104.7 | 131.4 | -63.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 514 | T | 33.9 | Very low | 34.3 | Very low | 139 Ų | 139 | 150.9 Ų | 150.9 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | | | trans | 44.1 | 121.3 | 137.4 | -44.6 | 0 | 0 | 0 | 0 | 121.5 | | |
| 515 | G | 34.3 | Very low | 33.8 | Very low | 72 Ų | 72 | 148.8 Ų | 148.8 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | | | trans | 174.7 | 96.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 516 | N | 30.1 | Very low | 33.6 | Very low | 159 Ų | 159 | 150.4 Ų | 150.4 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | | | trans | -66.3 | 142.6 | 175.6 | -58.2 | -25.1 | 0 | 0 | 0 | 112 | | |
| 517 | C | 30.3 | Very low | 33.3 | Very low | 132 Ų | 132 | 150.4 Ų | 150.4 | 89% | 0.892 | 80% | 0.801 | S | S | * | * | | | | 177.7 | 155.9 | 114 | -98.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 518 | C | 26.7 | Very low | 32.7 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | | | trans | -88.8 | 166 | 179.4 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 519 | L | 28.4 | Very low | 32.4 | Very low | 170 Ų | 170 | 147.8 Ų | 147.8 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | | | trans | 65.5 | 143.1 | 167.6 | -64.2 | 153.1 | 0 | 0 | 0 | 113.2 | | |
| 520 | E | 28.9 | Very low | 32.1 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | | | cis | -161.1 | -176.6 | 42.3 | -164.8 | 161.6 | -167.8 | 0 | 0 | 111.1 | | |
| 521 | K | 26 | Very low | 32.4 | Very low | 187 Ų | 187 | 146.6 Ų | 146.6 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | -60.9 | 143.3 | -175.7 | -56.4 | 165.5 | 179.6 | 175.5 | 0 | 113.8 | | |
| 522 | M | 34.8 | Very low | 32.4 | Very low | 194 Ų | 194 | 149.5 Ų | 149.5 | 96% | 0.956 | 80% | 0.798 | S | S | * | * | | | trans | -135.4 | 96.1 | 145.7 | -83.8 | -168.4 | 171.4 | 0 | 0 | 110.8 | | |
| 523 | E | 32.4 | Very low | 32.8 | Very low | 167 Ų | 167 | 148.5 Ų | 148.5 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | | | trans | -75.4 | 177.3 | 145.1 | -174.9 | 168.5 | -157 | 0 | 0 | 108.7 | | |
| 524 | N | 30.8 | Very low | 32.9 | Very low | 138 Ų | 138 | 149.8 Ų | 149.8 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | | | trans | 84.8 | 146.2 | -174.1 | -47.5 | -33.8 | 0 | 0 | 0 | 113.8 | | |
| 525 | H | 30.8 | Very low | 33 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 63% | 0.63 | 79% | 0.79 | S | S | * | * | | | cis | -164.1 | -177.4 | -21.6 | -127.7 | -100.6 | 0 | 0 | 0 | 105.9 | D527 | H525-D527 IonicContact CE1-OD1 3.89Å; H525-D527 PolarHBondContact CE1-OD1 3.32Å; H525-D527 IonicContact CG-OD1 2.68Å; H525-D527 IonicContact ND1-OD1 3.48Å; H525-D527 PolarHBondContact ND1-OD1 2.75Å; H525-D527 IonicContact ND1-OD2 3.85Å |
| 526 | F | 32.6 | Very low | 33.2 | Very low | 197 Ų | 197 | 150.6 Ų | 150.6 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | 138.2 | 82.7 | 158.7 | -76.5 | -56.4 | 0 | 0 | 0 | 109.1 | | |
| 527 | D | 31.3 | Very low | 33.4 | Very low | 114 Ų | 114 | 147.6 Ų | 147.6 | 61% | 0.61 | 80% | 0.796 | S | S | * | * | | | | 94.5 | 136.8 | 57.3 | -69.2 | -16.8 | 0 | 0 | 0 | 113.1 | H525 | H525-D527 IonicContact CE1-OD1 3.89Å; H525-D527 PolarHBondContact CE1-OD1 3.32Å; H525-D527 IonicContact CG-OD1 2.68Å; H525-D527 IonicContact ND1-OD1 3.48Å; H525-D527 PolarHBondContact ND1-OD1 2.75Å; H525-D527 IonicContact ND1-OD2 3.85Å |
| 528 | D | 29.7 | Very low | 33.8 | Very low | 154 Ų | 154 | 150 Ų | 150 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | | | trans | -58.3 | 143.4 | -179.7 | -87.6 | -52.3 | 0 | 0 | 0 | 113.6 | | |
| 529 | I | 36.8 | Very low | 34.3 | Very low | 153 Ų | 153 | 153.6 Ų | 153.6 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -127.9 | 105.8 | 152.5 | -60.2 | -177.8 | 0 | 0 | 0 | 109 | V531 | I529-V531 HydrophobicContact CG2-CG2 4.21Š|
| 530 | T | 31.6 | Very low | 34.7 | Very low | 134 Ų | 134 | 153.7 Ų | 153.7 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | trans | -84.4 | 141.3 | 166.3 | 1.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 531 | V | 44.5 | Very low | 35.1 | Very low | 131 Ų | 131 | 151.5 Ų | 151.5 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | -127.7 | 129.1 | 168.8 | 177.5 | 0 | 0 | 0 | 0 | 109.2 | I529 | I529-V531 HydrophobicContact CG2-CG2 4.21Š|
| 532 | K | 37.6 | Very low | 35.6 | Very low | 181 Ų | 181 | 150.8 Ų | 150.8 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | | | trans | -86.6 | 160.1 | 173.2 | -73 | 177.6 | 171.3 | -179.6 | 0 | 110.7 | | |
| 533 | D | 41.9 | Very low | 36 | Very low | 153 Ų | 153 | 151.7 Ų | 151.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | 168 | 154.5 | 136 | -86.6 | -5.2 | 0 | 0 | 0 | 109.1 | | |
| 534 | D | 38.1 | Very low | 35.7 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | cis | -154.7 | 175.6 | -43.3 | -145.7 | -2.9 | 0 | 0 | 0 | 109.5 | | |
| 535 | A | 35.6 | Very low | 36.1 | Very low | 76 Ų | 76 | 150.7 Ų | 150.7 | 63% | 0.628 | 79% | 0.79 | S | S | * | * | | | trans | -42.7 | 152.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 536 | T | 39.5 | Very low | 36.2 | Very low | 152 Ų | 152 | 152.3 Ų | 152.3 | 93% | 0.933 | 80% | 0.798 | S | S | * | * | | | | -177.9 | 159.5 | 108.1 | 29.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 537 | A | 33.3 | Very low | 36.3 | Very low | 95 Ų | 95 | 148.3 Ų | 148.3 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -123.4 | 155.7 | -168 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 538 | H | 39.1 | Very low | 36.5 | Very low | 184 Ų | 184 | 147 Ų | 147 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | | | trans | -157.7 | 143.4 | 140.9 | -137.8 | -74.5 | 0 | 0 | 0 | 114.8 | | |
| 539 | K | 35.9 | Very low | 36.9 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | | | trans | -88.7 | 152.3 | 171.2 | -65.4 | 174 | 175 | 176.5 | 0 | 111.9 | | |
| 540 | Q | 37.5 | Very low | 37 | Very low | 173 Ų | 173 | 146 Ų | 146 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | | | trans | 166.7 | 153.3 | 144.6 | -95 | -177.5 | 17.2 | 0 | 0 | 108.3 | | |
| 541 | N | 37.5 | Very low | 37.4 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | | | cis | -155.4 | 171.3 | -0.7 | -128.6 | -32 | 0 | 0 | 0 | 112 | | |
| 542 | H | 37 | Very low | 37 | Very low | 172 Ų | 172 | 146.3 Ų | 146.3 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | | | trans | -70.8 | 154.4 | -174.9 | -61 | -107.5 | 0 | 0 | 0 | 116.5 | | |
| 543 | K | 41.6 | Very low | 36.7 | Very low | 213 Ų | 213 | 141.3 Ų | 141.3 | 93% | 0.926 | 76% | 0.763 | S | S | * | * | | | | -163 | 146.4 | 110.6 | -115.7 | 177.3 | -179.1 | 179.5 | 0 | 114.4 | | |
| 544 | C | 27.9 | Very low | 36.3 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | | | trans | -104.4 | 153.6 | -179.3 | -174.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 545 | L | 39 | Very low | 36.1 | Very low | 182 Ų | 182 | 139 Ų | 139 | 95% | 0.953 | 76% | 0.764 | S | S | * | * | | | trans | -128.5 | 137.3 | 155.1 | -85.5 | 172.2 | 0 | 0 | 0 | 109 | | |
| 546 | Q | 32.9 | Very low | 36.2 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | trans | -133.4 | 174.3 | -163 | -149.1 | -178.6 | 10.6 | 0 | 0 | 109 | | |
| 547 | S | 33.7 | Very low | 36.3 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | trans | 78.4 | 146.9 | 171.9 | 81.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 548 | S | 36.1 | Very low | 36.2 | Very low | 85 Ų | 85 | 146.6 Ų | 146.6 | 59% | 0.594 | 77% | 0.766 | S | S | * | * | | | cis | -154 | 148.5 | 2.9 | -137.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 549 | E | 38.7 | Very low | 36 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 65% | 0.654 | 76% | 0.763 | S | S | * | * | | | trans | 52 | 155.8 | 135.6 | -70.3 | 171.5 | 120.2 | 0 | 0 | 120.8 | | |
| 550 | K | 38.7 | Very low | 35.7 | Very low | 148 Ų | 148 | 142 Ų | 142 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | | | cis | -162.8 | 128.5 | 7 | -123.6 | 157.3 | 173.9 | 149.6 | 0 | 104.4 | | |
| 551 | N | 38.8 | Very low | 35.6 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 65% | 0.647 | 76% | 0.755 | S | S | * | * | | | | 111.1 | 138.5 | 74.3 | -100.2 | 33 | 0 | 0 | 0 | 111.9 | | |
| 552 | N | 37.2 | Very low | 35.4 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | | | trans | 71.1 | 151.7 | 153.1 | -52.7 | -4.8 | 0 | 0 | 0 | 118.3 | | |
| 553 | A | 31.1 | Very low | 35.4 | Very low | 76 Ų | 76 | 136 Ų | 136 | 63% | 0.628 | 75% | 0.754 | S | S | * | * | | | cis | -170.4 | 161.9 | -25.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 554 | D | 32.2 | Very low | 34.9 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | | | trans | 67.2 | 147.9 | 150.5 | -59.6 | -32.4 | 0 | 0 | 0 | 123.7 | | |
| 555 | A | 35.8 | Very low | 35.4 | Very low | 94 Ų | 94 | 136 Ų | 136 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | | | trans | 78.5 | 102.8 | 153 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 556 | F | 37.5 | Very low | 35 | Very low | 205 Ų | 205 | 132.9 Ų | 132.9 | 90% | 0.899 | 74% | 0.736 | S | S | * | * | | | trans | -64.4 | 148.7 | 138.1 | -76.2 | -92.2 | 0 | 0 | 0 | 109.8 | | |
| 557 | P | 39.9 | Very low | 35.2 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | | | | -133.5 | 152.3 | 95.6 | 11 | 12.2 | 0 | 0 | 0 | 112.1 | | |
| 558 | E | 32.8 | Very low | 35.2 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | | | | 71.8 | 106.1 | 60.5 | -163.5 | -179.3 | -143.8 | 0 | 0 | 114.9 | | |
| 559 | S | 34.6 | Very low | 35 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | | | trans | 162.6 | 112.1 | 149 | 38.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 560 | Q | 30.3 | Very low | 34.9 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | | | | 68.5 | 100.7 | 73.1 | -72.6 | -167.4 | 2.9 | 0 | 0 | 115.3 | | |
| 561 | C | 33.6 | Very low | 34.5 | Very low | 104 Ų | 104 | 135 Ų | 135 | 70% | 0.703 | 75% | 0.747 | S | S | * | * | | | | 177.4 | 124.9 | 116.1 | -88.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 562 | N | 33.8 | Very low | 34.3 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | | | | 66 | 129.9 | 72.2 | -55 | -14.7 | 0 | 0 | 0 | 111.2 | | |
| 563 | S | 36.2 | Very low | 34.2 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | cis | -158.8 | 161.5 | 6.3 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 564 | E | 32 | Very low | 34.2 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | | | trans | -13.5 | 141.7 | 149.9 | -56.6 | 163.9 | 129.7 | 0 | 0 | 117.8 | | |
| 565 | H | 37.5 | Very low | 34.3 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 75% | 0.75 | 76% | 0.759 | S | S | * | * | | | | -172.8 | 113.1 | 101 | -92.6 | -57.9 | 0 | 0 | 0 | 114.2 | | |
| 566 | T | 31.4 | Very low | 34 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | | | trans | 17.8 | 146.5 | 130.9 | -33.3 | 0 | 0 | 0 | 0 | 121.9 | | |
| 567 | V | 38.2 | Very low | 34.1 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | | | trans | 122.3 | 88.6 | 151.9 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 568 | Q | 32.6 | Very low | 33.6 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | | | | 61.6 | 133.3 | 82.5 | -79.1 | -163.6 | -4.8 | 0 | 0 | 116.4 | | |
| 569 | N | 33 | Very low | 33.7 | Very low | 130 Ų | 130 | 136 Ų | 136 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | | | trans | 97.5 | 92.7 | 153.2 | -60 | -38.4 | 0 | 0 | 0 | 120.5 | | |
| 570 | K | 34.9 | Very low | 33.9 | Very low | 192 Ų | 192 | 134.6 Ų | 134.6 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | | | | 86.1 | 116.2 | 102.8 | -163.2 | 175.7 | -171.6 | 178.7 | 0 | 118.7 | | |
| 571 | S | 31.7 | Very low | 34.1 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | | | trans | 66.5 | 122.1 | 150.8 | -166.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 572 | T | 34.1 | Very low | 34.5 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | | | | 177.1 | 152.2 | 93.3 | -61.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 573 | D | 35 | Very low | 34.7 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | trans | -67.2 | 168.5 | -171.1 | -55.2 | -72.6 | 0 | 0 | 0 | 116.9 | | |
| 574 | N | 31.4 | Very low | 35 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | | | trans | 65.6 | 104.6 | 149.7 | -61.8 | -36.9 | 0 | 0 | 0 | 118.9 | | |
| 575 | C | 32.9 | Very low | 35.2 | Very low | 131 Ų | 131 | 137 Ų | 137 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | | | trans | -149.8 | 131.8 | 133.7 | -148.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 576 | V | 31.5 | Very low | 35.4 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | | | trans | -97.6 | 127.1 | 178.6 | 170.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 577 | L | 37.7 | Very low | 35.6 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | | | trans | -148.2 | 115.2 | 159.1 | -86.5 | 170.7 | 0 | 0 | 0 | 106.7 | | |
| 578 | Q | 31 | Very low | 35.5 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | | | | 40.6 | 128.6 | 90.9 | -78.8 | -165 | 13.1 | 0 | 0 | 114.2 | | |
| 579 | A | 34.4 | Very low | 35.5 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | | | cis | -158.2 | 160.9 | 5.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 580 | G | 38.5 | Very low | 35.6 | Very low | 80 Ų | 80 | 141.6 Ų | 141.6 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | -161.2 | 87 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 581 | R | 35.8 | Very low | 35.4 | Very low | 229 Ų | 229 | 136.2 Ų | 136.2 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | -79.7 | 135.5 | 177.1 | -66.6 | 177.8 | 169.6 | -144.2 | -1.2 | 110.5 | | |
| 582 | C | 41.2 | Very low | 35.7 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | | | trans | -156.6 | 154.2 | 141.8 | -105.5 | 0 | 0 | 0 | 0 | 109 | | |
| 583 | D | 38.8 | Very low | 35.8 | Very low | 141 Ų | 141 | 139.3 Ų | 139.3 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | | | trans | -122.1 | 160.7 | -145.9 | -120.3 | -44.1 | 0 | 0 | 0 | 113.9 | | |
| 584 | V | 41.1 | Very low | 35.8 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | | | trans | 70.1 | 116.4 | 158.8 | 177.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 585 | G | 37.1 | Very low | 35.9 | Very low | 73 Ų | 73 | 134.3 Ų | 134.3 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | | | trans | -170.6 | 15.1 | 175 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 586 | V | 41.8 | Very low | 35.9 | Very low | 114 Ų | 114 | 135.5 Ų | 135.5 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | trans | 42.8 | 102.5 | 158.3 | -172.4 | 0 | 0 | 0 | 0 | 119.3 | | |
| 587 | Q | 34.5 | Very low | 36.5 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | | 44.3 | 134.7 | 120 | -56.4 | 174.8 | 14.3 | 0 | 0 | 119.2 | | |
| 588 | T | 36.7 | Very low | 36.9 | Very low | 113 Ų | 113 | 132 Ų | 132 | 69% | 0.693 | 79% | 0.79 | S | S | * | * | | | cis | -148.9 | 127.2 | 19.3 | -62.7 | 0 | 0 | 0 | 0 | 110.5 | E590 | T588-E590 HydrophobicContact CG2-CB 4.13Š|
| 589 | E | 31.7 | Very low | 37.3 | Very low | 200 Ų | 200 | 131 Ų | 131 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | | | trans | -78.5 | 130.3 | 147.7 | -84.6 | -170.1 | 121.5 | 0 | 0 | 108.1 | | |
| 590 | E | 35.1 | Very low | 37.8 | Very low | 179 Ų | 179 | 132.4 Ų | 132.4 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -136.1 | 105.7 | 155.6 | -157.9 | 171.5 | -142.7 | 0 | 0 | 109.2 | T588 | T588-E590 HydrophobicContact CG2-CB 4.13Š|
| 591 | A | 32 | Very low | 38 | Very low | 79 Ų | 79 | 132.6 Ų | 132.6 | 65% | 0.653 | 78% | 0.783 | S | S | * | * | | | trans | -68.3 | 144 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | L593 | A591-L593 VanDerWaalsContact C-N 3.27Å; A591-L593 PolarHBondContact O-N 3.24Å |
| 592 | P | 38.5 | Very low | 38.3 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | | | trans | -69.3 | 89.3 | 169.9 | 28.9 | -32.8 | 0 | 0 | 0 | 109.6 | V594 | P592-V594 PolarHBondContact O-N 3.48Š|
| 593 | L | 36 | Very low | 38.2 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | | | trans | -55.9 | 113.8 | 169.1 | -177.2 | 78.9 | 0 | 0 | 0 | 109.5 | A591 G595 | A591-L593 VanDerWaalsContact C-N 3.27Å; A591-L593 PolarHBondContact O-N 3.24Å; L593-G595 PolarHBondContact O-N 3.46Å |
| 594 | V | 34 | Very low | 38.5 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | | | trans | 29.6 | 66.2 | 156.1 | -165.5 | 0 | 0 | 0 | 0 | 114.6 | P592 N596 | P592-V594 PolarHBondContact O-N 3.48Å; V594-N596 PolarHBondContact O-N 3.14Å |
| 595 | G | 34.3 | Very low | 38.7 | Very low | 65 Ų | 65 | 125.4 Ų | 125.4 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | | | trans | -69.9 | 108.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110 | L593 T597 | L593-G595 PolarHBondContact O-N 3.46Å; G595-T597 VanDerWaalsContact C-N 3.3Å; G595-T597 PolarHBondContact O-N 2.79Å |
| 596 | N | 33.2 | Very low | 39.2 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | | | trans | -61.7 | 84.7 | 175.5 | -75.1 | -32.6 | 0 | 0 | 0 | 111.5 | V594 A598 | V594-N596 PolarHBondContact O-N 3.14Å; N596-A598 PolarHBondContact O-N 3.45Å; N596-A598 VanDerWaalsContact O-N 3.08Å |
| 597 | T | 42.4 | Very low | 39.6 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | trans | -71 | 100.5 | 162.1 | 51.7 | 0 | 0 | 0 | 0 | 107.7 | G595 D599 | G595-T597 VanDerWaalsContact C-N 3.3Å; G595-T597 PolarHBondContact O-N 2.79Å; T597-D599 PolarHBondContact O-N 2.96Å |
| 598 | A | 46.3 | Very low | 40.2 | Very low | 86 Ų | 86 | 127.6 Ų | 127.6 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | | | trans | -59.8 | 107.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | N596 V600 | N596-A598 PolarHBondContact O-N 3.45Å; N596-A598 VanDerWaalsContact O-N 3.08Å; A598-V600 VanDerWaalsContact C-N 3.27Å; A598-V600 PolarHBondContact O-N 3.48Å |
| 599 | D | 40 | Very low | 40.6 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | | | trans | -62.1 | 92.2 | 167.2 | -93 | -34.1 | 0 | 0 | 0 | 108.3 | T597 A601 | T597-D599 PolarHBondContact O-N 2.96Å; D599-A601 PolarHBondContact O-N 2.93Å |
| 600 | V | 44.8 | Very low | 41.7 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 76% | 0.758 | 74% | 0.743 | S | S | * | * | | | trans | -73.1 | 77.4 | 165.5 | -176.5 | 0 | 0 | 0 | 0 | 107 | A598 V602 | A598-V600 VanDerWaalsContact C-N 3.27Å; A598-V600 PolarHBondContact O-N 3.48Å; V600-V602 PolarHBondContact O-N 3.47Å |
| 601 | A | 41.9 | Very low | 42.8 | Very low | 85 Ų | 85 | 124.8 Ų | 124.8 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | | | trans | -61.2 | 100.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | D599 Q603 | D599-A601 PolarHBondContact O-N 2.93Å; A601-Q603 VanDerWaalsContact C-N 3.27Å; A601-Q603 PolarHBondContact O-N 3.25Å |
| 602 | V | 43.7 | Very low | 43.9 | Very low | 118 Ų | 118 | 125.6 Ų | 125.6 | 72% | 0.715 | 75% | 0.746 | S | S | * | * | | | trans | -66.7 | 93.8 | 170.3 | -179.9 | 0 | 0 | 0 | 0 | 107.3 | V600 C604 | V600-V602 PolarHBondContact O-N 3.47Å; V602-C604 VanDerWaalsContact C-N 3.35Å; V602-C604 PolarHBondContact O-N 2.68Å |
| 603 | Q | 37.4 | Very low | 44.2 | Very low | 158 Ų | 158 | 126.7 Ų | 126.7 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | | | trans | -72.4 | 89.4 | -179.1 | -161.7 | -171.4 | 12.4 | 0 | 0 | 109.1 | A601 T605 | A601-Q603 VanDerWaalsContact C-N 3.27Å; A601-Q603 PolarHBondContact O-N 3.25Å; Q603-T605 HydrophobicContact CG-CG2 4.11Å; Q603-T605 PolarHBondContact O-N 3.47Å |
| 604 | C | 45.3 | Very low | 44.4 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | | | trans | -70.1 | 76.8 | 174.8 | -71.1 | 0 | 0 | 0 | 0 | 111.3 | V602 I606 | V602-C604 VanDerWaalsContact C-N 3.35Å; V602-C604 PolarHBondContact O-N 2.68Å; C604-I606 PolarHBondContact O-N 3.38Å |
| 605 | T | 45.7 | Very low | 44.4 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 64% | 0.644 | 74% | 0.74 | S | S | * | * | | | trans | -76.3 | 62.6 | 171.1 | 38.8 | 0 | 0 | 0 | 0 | 111.9 | Q603 | Q603-T605 HydrophobicContact CG-CG2 4.11Å; Q603-T605 PolarHBondContact O-N 3.47Å |
| 606 | I | 48.4 | Very low | 45 | Very low | 139 Ų | 139 | 126 Ų | 126 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | | | trans | -103.7 | 72.4 | 161.5 | -53.9 | -178.4 | 0 | 0 | 0 | 108 | C604 T608 | C604-I606 PolarHBondContact O-N 3.38Å; I606-T608 HydrophobicContact CG2-CG2 3.93Å; I606-T608 PolarHBondContact O-N 2.89Å; I606-T608 VanDerWaalsContact O-N 3.15Å |
| 607 | I | 48.9 | Very low | 45.5 | Very low | 152 Ų | 152 | 124.9 Ų | 124.9 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | | | trans | -82.9 | 78.3 | 164.2 | -55.5 | 178.4 | 0 | 0 | 0 | 107 | R609 | I607-R609 PolarHBondContact O-N 3.01Š|
| 608 | T | 47.9 | Very low | 45.4 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | | | trans | -67 | 101.4 | 163.2 | 38.4 | 0 | 0 | 0 | 0 | 108.3 | I606 C610 | I606-T608 HydrophobicContact CG2-CG2 3.93Å; I606-T608 PolarHBondContact O-N 2.89Å; I606-T608 VanDerWaalsContact O-N 3.15Å; T608-C610 PolarHBondContact O-N 3.47Å |
| 609 | R | 45.5 | Very low | 45.1 | Very low | 230 Ų | 230 | 129.2 Ų | 129.2 | 87% | 0.868 | 75% | 0.745 | S | S | * | * | | | trans | -60.1 | 102.5 | -179.7 | -168.9 | 177.1 | -170.5 | 162.6 | 1.7 | 110.3 | I607 S611 | I607-R609 PolarHBondContact O-N 3.01Å; R609-S611 PolarHBondContact O-N 3.43Å |
| 610 | C | 54.5 | Low | 45 | Very low | 74 Ų | 74 | 132.5 Ų | 132.5 | 50% | 0.5 | 75% | 0.745 | S | S | . | * | | | trans | -61 | 126.4 | 171.8 | 138.8 | 0 | 0 | 0 | 0 | 109.7 | T608 C612 | T608-C610 PolarHBondContact O-N 3.47Å; C610-C612 WeakPolarHBondContact CB-SG 3.3Å; C610-C612 PolarHBondContact O-N 3.35Å; C610-C612 WeakPolarHBondContact SG-CB 3.49Å; C610-C612 PolarHBondContact SG-N 3.48Å; C610-C612 VanDerWaalsContact SG-N 3.35Å; C610-C612 CovalentContact SG-SG 2.04Å; C610-C612 PolarHBondContact SG-SG 2.72Å |
| 611 | S | 57.8 | Low | 44.8 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 14.4 | 179.4 | -42.2 | 0 | 0 | 0 | 0 | 113.7 | R609 | R609-S611 PolarHBondContact O-N 3.43Š|
| 612 | C | 55.3 | Low | 44.7 | Very low | 95 Ų | 95 | 141 Ų | 141 | 64% | 0.642 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.8 | 4.6 | -155.7 | 12 | 0 | 0 | 0 | 0 | 114.4 | C610 | C610-C612 WeakPolarHBondContact CB-SG 3.3Å; C610-C612 PolarHBondContact O-N 3.35Å; C610-C612 WeakPolarHBondContact SG-CB 3.49Å; C610-C612 PolarHBondContact SG-N 3.48Å; C610-C612 VanDerWaalsContact SG-N 3.35Å; C610-C612 CovalentContact SG-SG 2.04Å; C610-C612 PolarHBondContact SG-SG 2.72Å |
| 613 | M | 44.2 | Very low | 44.4 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | -104.9 | 106.9 | 175.6 | -73.6 | -99.7 | 66.8 | 0 | 0 | 111.1 | | |
| 614 | S | 41.2 | Very low | 44.4 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 145.8 | 160.9 | 34.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 615 | S | 34.6 | Very low | 44.1 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 133.1 | -167 | -166.5 | 0 | 0 | 0 | 0 | 114 | | |
| 616 | P | 46.8 | Very low | 43.5 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 137.4 | 157.1 | 29.8 | -31.6 | 0 | 0 | 0 | 108.9 | L618 | P616-L618 PolarHBondContact O-N 2.98Š|
| 617 | V | 43 | Very low | 43 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 123.6 | 174.6 | 172.3 | 0 | 0 | 0 | 0 | 108.6 | I619 | V617-I619 PolarHBondContact O-N 3.03Å; V617-I619 VanDerWaalsContact O-N 3.14Å |
| 618 | L | 40.9 | Very low | 42.6 | Very low | 158 Ų | 158 | 148.4 Ų | 148.4 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | | | trans | -77.9 | 98.6 | -179.9 | -145.6 | 167.2 | 0 | 0 | 0 | 108.8 | P616 R620 | P616-L618 PolarHBondContact O-N 2.98Å; L618-R620 PolarHBondContact O-N 3.14Å; L618-R620 VanDerWaalsContact O-N 3.14Å |
| 619 | I | 39.6 | Very low | 42.2 | Very low | 146 Ų | 146 | 147.3 Ų | 147.3 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | | | trans | -68.8 | 110.9 | 171.7 | -62.5 | -179.8 | 0 | 0 | 0 | 107.7 | V617 E621 | V617-I619 PolarHBondContact O-N 3.03Å; V617-I619 VanDerWaalsContact O-N 3.14Å; I619-E621 PolarHBondContact O-N 3.48Å |
| 620 | R | 37.7 | Very low | 42 | Very low | 226 Ų | 226 | 140.5 Ų | 140.5 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | -85.3 | 94 | -178.9 | -175.5 | -175.6 | -166.7 | 170 | 5.2 | 109.4 | L618 | L618-R620 PolarHBondContact O-N 3.14Å; L618-R620 VanDerWaalsContact O-N 3.14Å |
| 621 | E | 41.5 | Very low | 41.2 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | | | trans | -66.8 | 146.7 | 161.3 | -63.9 | -136.7 | 139.6 | 0 | 0 | 110 | I619 | I619-E621 PolarHBondContact O-N 3.48Š|
| 622 | K | 37.9 | Very low | 40.4 | Very low | 203 Ų | 203 | 142.7 Ų | 142.7 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | | | trans | -124.8 | 92 | -159.7 | -178.5 | -169.5 | -179.6 | -172.6 | 0 | 108.4 | | |
| 623 | E | 39.4 | Very low | 39.9 | Very low | 198 Ų | 198 | 144 Ų | 144 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | | | trans | -111.5 | 134.8 | 174 | -140.2 | 172.1 | -163.3 | 0 | 0 | 110.4 | | |
| 624 | S | 35.6 | Very low | 39.9 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | | | trans | -108.4 | 126 | -166.5 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 625 | S | 39.8 | Very low | 40.1 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | | | trans | -151.4 | 155 | 160.8 | 52.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 626 | H | 33.2 | Very low | 40.6 | Very low | 187 Ų | 187 | 149.1 Ų | 149.1 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 154.5 | -166.4 | -73.4 | -118.2 | 0 | 0 | 0 | 114.2 | | |
| 627 | P | 38.2 | Very low | 40.8 | Very low | 126 Ų | 126 | 149.6 Ų | 149.6 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 135 | 155.4 | 34.8 | -27.2 | 0 | 0 | 0 | 111.4 | | |
| 628 | E | 40.2 | Very low | 41.2 | Very low | 192 Ų | 192 | 147.9 Ų | 147.9 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 146.2 | 169.6 | -101.5 | -158.3 | 152.9 | 0 | 0 | 113 | | |
| 629 | A | 39.2 | Very low | 41.5 | Very low | 98 Ų | 98 | 147 Ų | 147 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | | | trans | 38.7 | 104.4 | 148.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 630 | G | 42.4 | Very low | 41.8 | Very low | 86 Ų | 86 | 145.7 Ų | 145.7 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | | | trans | -102.8 | 126.8 | 147.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 631 | S | 35.8 | Very low | 42.5 | Very low | 119 Ų | 119 | 142 Ų | 142 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | | | trans | -96.4 | 142.8 | 178.8 | 52 | 0 | 0 | 0 | 0 | 112.2 | | |
| 632 | C | 43 | Very low | 42.9 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 89% | 0.892 | 81% | 0.81 | S | S | * | * | | | trans | -147.3 | 125.5 | 162.2 | -83 | 0 | 0 | 0 | 0 | 109.3 | | |
| 633 | T | 43 | Very low | 43.3 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | | | trans | -76.8 | 172.2 | 164.2 | 51.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 634 | E | 45 | Very low | 43.7 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | cis | -165.1 | 176.4 | 19.4 | -146.7 | 151.1 | -149.2 | 0 | 0 | 110.6 | | |
| 635 | D | 45.6 | Very low | 44.2 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 63% | 0.626 | 80% | 0.798 | S | S | * | * | | | trans | 89.1 | 116.8 | 146.9 | -110.2 | 18.9 | 0 | 0 | 0 | 124.6 | | |
| 636 | R | 45.1 | Very low | 44.3 | Very low | 193 Ų | 193 | 132.5 Ų | 132.5 | 73% | 0.728 | 80% | 0.798 | S | S | * | * | | | | 101.4 | 87.6 | 129.4 | -88.1 | 177.7 | 157.6 | 88.7 | 2.7 | 124.5 | | |
| 637 | T | 51.7 | Low | 44.7 | Very low | 123 Ų | 123 | 129 Ų | 129 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | | 68.7 | 135.2 | 117.7 | 54.3 | 0 | 0 | 0 | 0 | 124.2 | | |
| 638 | A | 51 | Low | 45.3 | Very low | 93 Ų | 93 | 130 Ų | 130 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | 75.6 | 141.7 | 146.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 639 | D | 46.4 | Very low | 45.6 | Very low | 141 Ų | 141 | 125 Ų | 125 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | cis | -156.4 | 164.5 | -22.1 | -139.8 | -47.9 | 0 | 0 | 0 | 110.8 | | |
| 640 | T | 47 | Very low | 46.1 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | | | trans | -37 | 148.4 | 177.5 | 49.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 641 | T | 52.7 | Low | 46.4 | Very low | 149 Ų | 149 | 128 Ų | 128 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | | | | 177.7 | 133.1 | 124.3 | -66.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 642 | G | 48.2 | Very low | 47 | Very low | 75 Ų | 75 | 134 Ų | 134 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | 114.7 | 129.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 643 | G | 47.3 | Very low | 47.2 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | | | trans | -86.6 | -167.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 644 | Q | 47.2 | Very low | 47.4 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | cis | -159.6 | 149.6 | 9 | -157.6 | 176 | -24.2 | 0 | 0 | 110 | | |
| 645 | E | 47.4 | Very low | 47.5 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 77% | 0.771 | 79% | 0.792 | S | S | * | * | | | trans | 65.8 | 121.5 | 159.5 | -77.6 | 157.9 | -137.3 | 0 | 0 | 122.3 | | |
| 646 | T | 40.9 | Very low | 47.6 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | trans | -93.9 | 178.3 | 176.3 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 647 | P | 42.2 | Very low | 47.8 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | | | cis | -128.3 | 142.1 | -7.6 | 29.9 | -10 | 0 | 0 | 0 | 114.9 | | |
| 648 | T | 49.9 | Very low | 47.5 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | | | trans | -162.7 | 153.6 | 160.8 | 0.6 | 0 | 0 | 0 | 0 | 105.7 | | |
| 649 | S | 47.6 | Very low | 47.3 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 61% | 0.608 | 81% | 0.813 | S | S | * | * | | | cis | -161.3 | 160.1 | 8.9 | 53.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 650 | N | 48.2 | Very low | 47.4 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | | | trans | 40.9 | 118.5 | 130.7 | -54.4 | -2.6 | 0 | 0 | 0 | 118.4 | | |
| 651 | S | 49 | Very low | 47.4 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | | | | 55.9 | 100.7 | 68.5 | 82.4 | 0 | 0 | 0 | 0 | 114 | | |
| 652 | L | 48.1 | Very low | 46.9 | Very low | 247 Ų | 247 | 132.7 Ų | 132.7 | 100% | 1.293 | 82% | 0.818 | S | S | * | * | | | trans | -141.9 | 0 | 138.8 | -134.5 | 164.9 | 0 | 0 | 0 | 107.2 | | |