| 1 | M | 47.2 | Very low | 66.5 | Low | 237 Ų | 237 | 109.6 Ų | 109.6 | 100% | 1.167 | 64% | 0.637 | S | S | * | * | | | | 0 | 104.5 | 0 | -72.6 | -173.2 | 174.1 | 0 | 0 | 108.4 | R3 | M1-R3 PolarHBondContact O-N 3.42Š|
| 2 | A | 56 | Low | 67.2 | Low | 100 Ų | 100 | 108.5 Ų | 108.5 | 83% | 0.826 | 63% | 0.625 | S | S | * | * | | | trans | -74 | 115.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | I4 | A2-I4 PolarHBondContact O-N 3.38Š|
| 3 | R | 63.1 | Low | 67.7 | Low | 237 Ų | 237 | 105.8 Ų | 105.8 | 89% | 0.894 | 62% | 0.617 | S | S | * | * | | | trans | -81.7 | 105.4 | 173.9 | -70 | -177.2 | 171.9 | 122.6 | -1.7 | 107.4 | M1 P5 | M1-R3 PolarHBondContact O-N 3.42Å; R3-P5 WeakPolarHBondContact O-CD 3.43Å |
| 4 | I | 64.4 | Low | 68.2 | Low | 115 Ų | 115 | 106.1 Ų | 106.1 | 59% | 0.59 | 61% | 0.613 | S | S | * | * | | | trans | -63.7 | 121.2 | 173.2 | -60 | 172.7 | 0 | 0 | 0 | 106.5 | A2 T6 A8 L9 | A2-I4 PolarHBondContact O-N 3.38Å; I4-T6 PolarHBondContact O-N 3.49Å; I4-A8 HydrophobicContact CG2-CB 3.94Å; I4-L9 HydrophobicContact CG2-CD2 4.4Å; I4-L9 HydrophobicContact CG2-CG 4.22Å |
| 5 | P | 71.9 | Confident | 68.6 | Low | 85 Ų | 85 | 106.2 Ų | 106.2 | 55% | 0.552 | 61% | 0.61 | S | S | * | * | | | trans | -62.6 | 134.3 | 179.7 | 24.9 | -31.6 | 0 | 0 | 0 | 108.3 | R3 A7 A8 | R3-P5 WeakPolarHBondContact O-CD 3.43Å; P5-A7 PolarHBondContact O-N 3.39Å; P5-A8 HydrophobicContact CG-CB 4.06Å; P5-A8 WeakPolarHBondContact O-CA 3.48Å; P5-A8 WeakPolarHBondContact O-CB 3.36Å; P5-A8 PolarHBondContact O-N 3.33Å |
| 6 | T | 65.4 | Low | 68.7 | Low | 122 Ų | 122 | 105.3 Ų | 105.3 | 75% | 0.748 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -53.1 | -27.5 | -179.8 | 2.9 | 0 | 0 | 0 | 0 | 112.5 | I4 A8 L9 G10 | I4-T6 PolarHBondContact O-N 3.49Å; T6-A8 PolarHBondContact O-N 3.45Å; T6-L9 PolarHBondContact O-N 3.07Å; T6-G10 PolarHBondContact O-N 3.09Å |
| 7 | A | 68.5 | Low | 68.8 | Low | 70 Ų | 70 | 106.5 Ų | 106.5 | 58% | 0.579 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -58.8 | -41.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | P5 L9 G10 C11 | P5-A7 PolarHBondContact O-N 3.39Å; A7-L9 PolarHBondContact O-N 3.11Å; A7-G10 PolarHBondContact O-N 3.06Å; A7-C11 PolarHBondContact O-N 3.27Å; A7-C11 PolarHBondContact O-SG 3.15Å |
| 8 | A | 71.1 | Confident | 68.8 | Low | 35 Ų | 35 | 109.5 Ų | 109.5 | 29% | 0.289 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.3 | -37.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I4 P5 T6 C11 I12 | I4-A8 HydrophobicContact CG2-CB 3.94Å; P5-A8 HydrophobicContact CG-CB 4.06Å; P5-A8 WeakPolarHBondContact O-CA 3.48Å; P5-A8 WeakPolarHBondContact O-CB 3.36Å; P5-A8 PolarHBondContact O-N 3.33Å; T6-A8 PolarHBondContact O-N 3.45Å; A8-C11 PolarHBondContact O-N 3.08Å; A8-I12 WeakPolarHBondContact O-CD1 3.48Å; A8-I12 WeakPolarHBondContact O-CG1 3.13Å; A8-I12 PolarHBondContact O-N 3.02Å |
| 9 | L | 71.3 | Confident | 68.5 | Low | 98 Ų | 98 | 107.2 Ų | 107.2 | 51% | 0.513 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65 | -40.6 | 174.3 | -66.7 | 173.7 | 0 | 0 | 0 | 111.5 | I4 T6 A7 I12 S13 | I4-L9 HydrophobicContact CG2-CD2 4.4Å; I4-L9 HydrophobicContact CG2-CG 4.22Å; T6-L9 PolarHBondContact O-N 3.07Å; A7-L9 PolarHBondContact O-N 3.11Å; L9-I12 PolarHBondContact O-N 3.11Å; L9-S13 PolarHBondContact O-N 2.71Å; L9-S13 VanDerWaalsContact O-N 3.08Å |
| 10 | G | 77.1 | Confident | 67.9 | Low | 35 Ų | 35 | 107.5 Ų | 107.5 | 36% | 0.361 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.2 | -44.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T6 A7 S13 L14 | T6-G10 PolarHBondContact O-N 3.09Å; A7-G10 PolarHBondContact O-N 3.06Å; G10-S13 PolarHBondContact O-N 3.2Å; G10-L14 WeakPolarHBondContact O-CG 3.18Å; G10-L14 PolarHBondContact O-N 3Å |
| 11 | C | 75.4 | Confident | 67.3 | Low | 72 Ų | 72 | 105.1 Ų | 105.1 | 49% | 0.486 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.3 | -42.5 | 177.9 | -67.9 | 0 | 0 | 0 | 0 | 112.6 | A7 A8 S13 L14 L15 | A7-C11 PolarHBondContact O-N 3.27Å; A7-C11 PolarHBondContact O-SG 3.15Å; A8-C11 PolarHBondContact O-N 3.08Å; C11-S13 VanDerWaalsContact C-N 3.32Å; C11-S13 PolarHBondContact O-N 3.14Å; C11-L14 PolarHBondContact O-N 3.46Å; C11-L15 WeakPolarHBondContact O-CB 3.23Å; C11-L15 WeakPolarHBondContact O-CD1 3.04Å; C11-L15 PolarHBondContact O-N 2.02Å |
| 12 | I | 75.1 | Confident | 67.5 | Low | 96 Ų | 96 | 98 Ų | 98 | 49% | 0.492 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.4 | -41.1 | 177.3 | -65.3 | 161.2 | 0 | 0 | 0 | 110.3 | A8 L9 L15 C16 | A8-I12 WeakPolarHBondContact O-CD1 3.48Å; A8-I12 WeakPolarHBondContact O-CG1 3.13Å; A8-I12 PolarHBondContact O-N 3.02Å; L9-I12 PolarHBondContact O-N 3.11Å; I12-L15 PolarHBondContact O-N 3.12Å; I12-C16 PolarHBondContact O-N 3Å; I12-C16 PolarHBondContact O-SG 3.02Å |
| 13 | S | 74 | Confident | 67.3 | Low | 74 Ų | 74 | 99.8 Ų | 99.8 | 52% | 0.517 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.4 | -41.9 | 178.9 | -140.5 | 0 | 0 | 0 | 0 | 112.5 | L9 G10 C11 C16 L17 | L9-S13 PolarHBondContact O-N 2.71Å; L9-S13 VanDerWaalsContact O-N 3.08Å; G10-S13 PolarHBondContact O-N 3.2Å; C11-S13 VanDerWaalsContact C-N 3.32Å; C11-S13 PolarHBondContact O-N 3.14Å; S13-C16 PolarHBondContact O-N 3.42Å; S13-L17 WeakPolarHBondContact O-CG 3.34Å; S13-L17 PolarHBondContact O-N 3.35Å; S13-L17 VanDerWaalsContact O-N 3.09Å |
| 14 | L | 74.1 | Confident | 66.4 | Low | 109 Ų | 109 | 94.4 Ų | 94.4 | 57% | 0.571 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.7 | -42.8 | 175.2 | -73.2 | 169.2 | 0 | 0 | 0 | 111.8 | G10 C11 C16 L17 Q18 | G10-L14 WeakPolarHBondContact O-CG 3.18Å; G10-L14 PolarHBondContact O-N 3Å; C11-L14 PolarHBondContact O-N 3.46Å; L14-C16 PolarHBondContact O-N 2.88Å; L14-L17 PolarHBondContact O-N 3.4Å; L14-Q18 WeakPolarHBondContact O-CB 3.19Å; L14-Q18 PolarHBondContact O-N 3.22Å |
| 15 | L | 74.7 | Confident | 65.6 | Low | 108 Ų | 108 | 99.7 Ų | 99.7 | 57% | 0.565 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -57.3 | -48.1 | 173.1 | -84 | 154.5 | 0 | 0 | 0 | 111.2 | C11 I12 L17 Q18 L19 | C11-L15 WeakPolarHBondContact O-CB 3.23Å; C11-L15 WeakPolarHBondContact O-CD1 3.04Å; C11-L15 PolarHBondContact O-N 2.02Å; I12-L15 PolarHBondContact O-N 3.12Å; L15-L17 VanDerWaalsContact C-N 3.28Å; L15-L17 PolarHBondContact O-N 2.99Å; L15-Q18 PolarHBondContact O-N 2.94Å; L15-L19 HydrophobicContact CD2-CD1 4.19Å; L15-L19 WeakPolarHBondContact O-CB 3.44Å; L15-L19 WeakPolarHBondContact O-CD1 3.32Å; L15-L19 PolarHBondContact O-N 3.24Å; L15-L19 VanDerWaalsContact O-N 3.16Å |
| 16 | C | 70.4 | Confident | 64.3 | Low | 91 Ų | 91 | 100.3 Ų | 100.3 | 62% | 0.615 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.3 | -34.7 | 178.7 | -68.9 | 0 | 0 | 0 | 0 | 113.4 | I12 S13 L14 | I12-C16 PolarHBondContact O-N 3Å; I12-C16 PolarHBondContact O-SG 3.02Å; S13-C16 PolarHBondContact O-N 3.42Å; L14-C16 PolarHBondContact O-N 2.88Å |
| 17 | L | 69 | Low | 63.4 | Low | 127 Ų | 127 | 103.1 Ų | 103.1 | 67% | 0.665 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -78.1 | -26 | 178 | -70.8 | 166.8 | 0 | 0 | 0 | 113.2 | S13 L14 L15 P20 | S13-L17 WeakPolarHBondContact O-CG 3.34Å; S13-L17 PolarHBondContact O-N 3.35Å; S13-L17 VanDerWaalsContact O-N 3.09Å; L14-L17 PolarHBondContact O-N 3.4Å; L15-L17 VanDerWaalsContact C-N 3.28Å; L15-L17 PolarHBondContact O-N 2.99Å; L17-P20 WeakPolarHBondContact O-CD 3.21Å |
| 18 | Q | 70.4 | Confident | 62.4 | Low | 160 Ų | 160 | 103.4 Ų | 103.4 | 75% | 0.748 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -81.8 | -17.3 | 176.4 | -138.9 | 92.5 | 22.3 | 0 | 0 | 113.2 | L14 L15 P20 | L14-Q18 WeakPolarHBondContact O-CB 3.19Å; L14-Q18 PolarHBondContact O-N 3.22Å; L15-Q18 PolarHBondContact O-N 2.94Å; Q18-P20 VanDerWaalsContact O-CD 3.31Å; Q18-P20 WeakPolarHBondContact O-CD 3.43Å |
| 19 | L | 62.1 | Low | 60.8 | Low | 65 Ų | 65 | 105.5 Ų | 105.5 | 34% | 0.34 | 64% | 0.639 | S | S | . | * | | | trans | -91.2 | 19.1 | -175.8 | -93.7 | 92.2 | 0 | 0 | 0 | 119.1 | L15 G21 V22 L23 | L15-L19 HydrophobicContact CD2-CD1 4.19Å; L15-L19 WeakPolarHBondContact O-CB 3.44Å; L15-L19 WeakPolarHBondContact O-CD1 3.32Å; L15-L19 PolarHBondContact O-N 3.24Å; L15-L19 VanDerWaalsContact O-N 3.16Å; L19-G21 PolarHBondContact O-N 3.17Å; L19-V22 HydrophobicContact CB-CG2 4.19Å; L19-V22 HydrophobicContact CD2-CG2 3.56Å; L19-V22 HydrophobicContact CG-CG2 3.52Å; L19-L23 HydrophobicContact CD2-CD1 4.34Å; L19-L23 HydrophobicContact CD2-CG 4.33Å |
| 20 | P | 56.8 | Low | 59.3 | Low | 113 Ų | 113 | 107.9 Ų | 107.9 | 73% | 0.734 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -16.7 | 178.2 | -21.1 | 30.2 | 0 | 0 | 0 | 114.9 | L17 Q18 | L17-P20 WeakPolarHBondContact O-CD 3.21Å; Q18-P20 VanDerWaalsContact O-CD 3.31Å; Q18-P20 WeakPolarHBondContact O-CD 3.43Å |
| 21 | G | 54.4 | Low | 57.9 | Low | 58 Ų | 58 | 110.9 Ų | 110.9 | 60% | 0.598 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -15.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | L19 | L19-G21 PolarHBondContact O-N 3.17Š|
| 22 | V | 52.9 | Low | 56.1 | Low | 89 Ų | 89 | 118.1 Ų | 118.1 | 54% | 0.539 | 68% | 0.682 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.7 | -21.3 | -168.5 | -67.9 | 0 | 0 | 0 | 0 | 114.8 | L19 R25 | L19-V22 HydrophobicContact CB-CG2 4.19Å; L19-V22 HydrophobicContact CD2-CG2 3.56Å; L19-V22 HydrophobicContact CG-CG2 3.52Å; V22-R25 PolarHBondContact O-N 2.85Å |
| 23 | L | 50.3 | Low | 55 | Low | 137 Ų | 137 | 119.4 Ų | 119.4 | 72% | 0.717 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -81.7 | -20.1 | 178 | -71.7 | 170 | 0 | 0 | 0 | 113.7 | L19 R25 | L19-L23 HydrophobicContact CD2-CD1 4.34Å; L19-L23 HydrophobicContact CD2-CG 4.33Å; L23-R25 PolarHBondContact O-N 3.45Å |
| 24 | S | 46.1 | Very low | 53.2 | Low | 123 Ų | 123 | 122.4 Ų | 122.4 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -72.8 | -15.3 | 170.6 | -94.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 25 | R | 46.4 | Very low | 51.8 | Low | 227 Ų | 227 | 126 Ų | 126 | 86% | 0.857 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -117.6 | 39.7 | -177.1 | -167.8 | 175.4 | 152 | 172.5 | -6 | 111.5 | V22 L23 | V22-R25 PolarHBondContact O-N 2.85Å; L23-R25 PolarHBondContact O-N 3.45Å |
| 26 | S | 45.3 | Very low | 50.1 | Low | 98 Ų | 98 | 126.6 Ų | 126.6 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -148.1 | 38.2 | 172.2 | -150 | 0 | 0 | 0 | 0 | 113.6 | | |
| 27 | L | 45.9 | Very low | 48.7 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 94% | 0.942 | 75% | 0.746 | S | S | * | * | | | trans | -125.7 | 43.9 | 151.7 | -156.8 | 72.5 | 0 | 0 | 0 | 109.3 | | |
| 28 | G | 46.9 | Very low | 47.1 | Very low | 77 Ų | 77 | 135.5 Ų | 135.5 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | | | trans | -96 | 86.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 29 | G | 37.5 | Very low | 45.7 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 81% | 0.814 | 75% | 0.752 | S | S | * | * | | | trans | -102.9 | 92.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 30 | D | 40.8 | Very low | 45.1 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | -71.3 | 160.1 | 162.5 | -157.5 | -117.1 | 0 | 0 | 0 | 108.7 | | |
| 31 | P | 47.9 | Very low | 44 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 63% | 0.63 | 77% | 0.773 | S | S | * | * | | | cis | -146.1 | 152.1 | 32.2 | 39.7 | -17.6 | 0 | 0 | 0 | 118.6 | | |
| 32 | R | 37.7 | Very low | 43.1 | Very low | 225 Ų | 225 | 143.7 Ų | 143.7 | 85% | 0.849 | 79% | 0.788 | S | S | * | * | | | | 150.7 | 144.9 | 118.8 | -78.4 | -162.2 | 179.2 | -158.9 | -0.9 | 114.8 | | |
| 33 | P | 51.7 | Low | 42.4 | Very low | 123 Ų | 123 | 145.8 Ų | 145.8 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | | | trans | -91.1 | 121.1 | -171.2 | 34.6 | -28.4 | 0 | 0 | 0 | 111.1 | | |
| 34 | V | 36.4 | Very low | 42.2 | Very low | 136 Ų | 136 | 144.9 Ų | 144.9 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | | | trans | -100.9 | 103.7 | 162.6 | 167.6 | 0 | 0 | 0 | 0 | 108.1 | P36 | V34-P36 VanDerWaalsContact O-CD 3.31Å; V34-P36 WeakPolarHBondContact O-CD 3.34Å |
| 35 | K | 45.3 | Very low | 41.9 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 118.6 | 167.7 | 175.8 | 176.2 | -178.4 | 168.8 | 0 | 109.7 | R37 | K35-R37 PolarHBondContact O-N 2.8Š|
| 36 | P | 38.5 | Very low | 41.2 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74 | 127.8 | 163.2 | -14.1 | 31.4 | 0 | 0 | 0 | 108.8 | V34 | V34-P36 VanDerWaalsContact O-CD 3.31Å; V34-P36 WeakPolarHBondContact O-CD 3.34Å |
| 37 | R | 39.8 | Very low | 41.1 | Very low | 238 Ų | 238 | 141.1 Ų | 141.1 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70 | 127.8 | -174.1 | -166.4 | 174 | 179 | 136.1 | -3.6 | 110.6 | K35 | K35-R37 PolarHBondContact O-N 2.8Š|
| 38 | E | 36 | Very low | 40.8 | Very low | 168 Ų | 168 | 141 Ų | 141 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 139.4 | 173.2 | -155.2 | -179.5 | 119.7 | 0 | 0 | 110.7 | | |
| 39 | P | 41 | Very low | 40.6 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | | | trans | -113.1 | 129.1 | 156.6 | 11 | 8.5 | 0 | 0 | 0 | 111.3 | | |
| 40 | P | 50 | Low | 41.3 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | trans | -93.1 | 136.3 | -177 | 34.9 | -29.9 | 0 | 0 | 0 | 111.5 | | |
| 41 | A | 33.5 | Very low | 41.1 | Very low | 92 Ų | 92 | 151.1 Ų | 151.1 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | | | trans | -175.6 | 125.1 | 143.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 42 | R | 35.6 | Very low | 41 | Very low | 245 Ų | 245 | 155.8 Ų | 155.8 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | | | trans | 77.7 | 116.8 | 151 | -72.5 | 179.8 | -171.5 | 149.4 | 4 | 120.8 | | |
| 43 | T | 38.2 | Very low | 41.9 | Very low | 133 Ų | 133 | 151.3 Ų | 151.3 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | | | trans | -62.2 | -176.8 | 157.6 | 46.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 44 | P | 45.8 | Very low | 41.7 | Very low | 118 Ų | 118 | 149.9 Ų | 149.9 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | | | cis | -126.9 | 176.7 | -39.5 | 32.4 | -13.7 | 0 | 0 | 0 | 113.4 | | |
| 45 | S | 39.3 | Very low | 42.1 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | | | trans | 82.8 | 111.8 | 163 | -162.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 46 | S | 32.3 | Very low | 42.4 | Very low | 120 Ų | 120 | 152.6 Ų | 152.6 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | | | | -168.4 | 133.8 | 128 | -165.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 47 | N | 43 | Very low | 42.7 | Very low | 137 Ų | 137 | 150.6 Ų | 150.6 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | | | trans | -75.5 | 152.5 | -171.6 | -76.1 | -98.2 | 0 | 0 | 0 | 112.6 | | |
| 48 | L | 39.9 | Very low | 43.5 | Very low | 177 Ų | 177 | 145.6 Ų | 145.6 | 93% | 0.927 | 80% | 0.801 | S | S | * | * | | | | 160.7 | 125.8 | 125.3 | -78.5 | 166.7 | 0 | 0 | 0 | 111.4 | | |
| 49 | Q | 43.6 | Very low | 44.2 | Very low | 179 Ų | 179 | 143.1 Ų | 143.1 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | | | trans | -82 | -167.8 | -177 | -88.7 | -92.3 | 66.2 | 0 | 0 | 113 | | |
| 50 | P | 51.5 | Low | 44.1 | Very low | 97 Ų | 97 | 148.7 Ų | 148.7 | 63% | 0.63 | 80% | 0.804 | S | S | * | * | | | | -119.1 | 172.7 | -94.2 | 31.4 | -9.2 | 0 | 0 | 0 | 113.7 | | |
| 51 | R | 36.5 | Very low | 44.4 | Very low | 240 Ų | 240 | 150.8 Ų | 150.8 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | | | trans | 153.2 | 131.1 | 140.2 | -88.8 | -177.8 | 166.3 | 168.3 | -1.9 | 114.1 | | |
| 52 | H | 45.3 | Very low | 44.7 | Very low | 196 Ų | 196 | 154.2 Ų | 154.2 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | | | trans | -75 | 147.6 | 171.9 | -56.7 | -70.5 | 0 | 0 | 0 | 112.9 | | |
| 53 | P | 57.6 | Low | 45.5 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | | | trans | -107.3 | 143.1 | 161.8 | 28.6 | -15.9 | 0 | 0 | 0 | 113.8 | | |
| 54 | A | 46.1 | Very low | 46 | Very low | 93 Ų | 93 | 151.7 Ų | 151.7 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 155.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 55 | P | 46.2 | Very low | 45.5 | Very low | 132 Ų | 132 | 150.8 Ų | 150.8 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 148.5 | -176.6 | -3.5 | 23.5 | 0 | 0 | 0 | 114.5 | | |
| 56 | R | 51 | Low | 45.4 | Very low | 244 Ų | 244 | 153.1 Ų | 153.1 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 142.2 | -175.6 | -57.7 | -178.7 | 178.7 | -149.9 | -0.9 | 112.5 | | |
| 57 | P | 45 | Very low | 45.9 | Very low | 79 Ų | 79 | 156 Ų | 156 | 51% | 0.513 | 80% | 0.801 | S | S | . | * | P | Polyproline II helix | trans | -98.4 | 136.7 | 174.8 | 15.9 | 1.2 | 0 | 0 | 0 | 114.5 | P130 | P57-P130 HydrophobicContact CB-CB 4.05Å; P57-P130 HydrophobicContact CG-CB 4.45Å |
| 58 | V | 55.3 | Low | 45.5 | Very low | 133 Ų | 133 | 155 Ų | 155 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 142.6 | 172.9 | 152.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 59 | V | 50.7 | Low | 45.8 | Very low | 116 Ų | 116 | 154.8 Ų | 154.8 | 70% | 0.703 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 120.9 | 179.5 | 168 | 0 | 0 | 0 | 0 | 110.7 | K61 | V59-K61 HydrophobicContact CG1-CG 4.35Š|
| 60 | W | 39.3 | Very low | 45.8 | Very low | 233 Ų | 233 | 157.4 Ų | 157.4 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | trans | -108.7 | 117.2 | 168 | -167.2 | -102.3 | 0 | 0 | 0 | 110 | | |
| 61 | K | 56.2 | Low | 45 | Very low | 160 Ų | 160 | 156.4 Ų | 156.4 | 70% | 0.696 | 81% | 0.805 | S | S | * | * | | | trans | -98.2 | 128.7 | 173.8 | -82 | -179.5 | 174.9 | 177.3 | 0 | 109.5 | V59 | V59-K61 HydrophobicContact CG1-CG 4.35Š|
| 62 | L | 39.6 | Very low | 45.1 | Very low | 163 Ų | 163 | 150.1 Ų | 150.1 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | -135 | 139 | 153.6 | -163.7 | 61.4 | 0 | 0 | 0 | 109.6 | | |
| 63 | H | 53.4 | Low | 44.7 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | | | trans | -98 | 151.1 | -153.9 | -68.7 | -133 | 0 | 0 | 0 | 112 | | |
| 64 | Q | 48.3 | Very low | 43.9 | Very low | 188 Ų | 188 | 146.4 Ų | 146.4 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | | | trans | 62 | 104.9 | 131.4 | -167.1 | 168.3 | 49.4 | 0 | 0 | 118.9 | | |
| 65 | A | 36.1 | Very low | 43.7 | Very low | 98 Ų | 98 | 146.5 Ų | 146.5 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | trans | -158.3 | 115.7 | 142 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 66 | L | 36.5 | Very low | 43.6 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | | | trans | 71.1 | 88.2 | 141.6 | -145 | 68.5 | 0 | 0 | 0 | 119.5 | P68 | L66-P68 WeakPolarHBondContact O-CD 3.31Š|
| 67 | Q | 42.6 | Very low | 43 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 125.5 | 156.9 | -73.8 | -81.8 | 29.4 | 0 | 0 | 111 | | |
| 68 | P | 35.5 | Very low | 43.1 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 128.3 | 164.2 | 0.6 | 20.8 | 0 | 0 | 0 | 110.7 | L66 | L66-P68 WeakPolarHBondContact O-CD 3.31Š|
| 69 | Q | 46.6 | Very low | 42.2 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 135.2 | -175.1 | -75.7 | -131.7 | 50.3 | 0 | 0 | 115.1 | | |
| 70 | R | 43.5 | Very low | 41.7 | Very low | 235 Ų | 235 | 146.6 Ų | 146.6 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | | | | 37.4 | 117.2 | 123.7 | -163.1 | 169.6 | -171.7 | 161.2 | 0.7 | 118.2 | | |
| 71 | G | 33.3 | Very low | 42.2 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | | | trans | 175.3 | 90.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G73 | G71-G73 PolarHBondContact O-N 3.47Š|
| 72 | A | 38.6 | Very low | 41.3 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 90% | 0.901 | 83% | 0.83 | S | S | * | * | | | trans | -67.8 | 124.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 73 | G | 38.1 | Very low | 41.7 | Very low | 72 Ų | 72 | 144.7 Ų | 144.7 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | | | trans | -81.2 | 142.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G71 | G71-G73 PolarHBondContact O-N 3.47Š|
| 74 | L | 41.1 | Very low | 40.8 | Very low | 177 Ų | 177 | 146 Ų | 146 | 93% | 0.927 | 84% | 0.843 | S | S | * | * | | | trans | -131.5 | 136.2 | 156.1 | -74.5 | 174 | 0 | 0 | 0 | 108 | | |
| 75 | A | 40 | Very low | 40.3 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | | | trans | -66.5 | 152.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A77 | A75-A77 PolarHBondContact O-N 3.26Š|
| 76 | P | 44.2 | Very low | 40.3 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 87% | 0.87 | 84% | 0.837 | S | S | * | * | | | trans | -87.1 | 109.9 | 173.5 | 32.9 | -26.8 | 0 | 0 | 0 | 110 | | |
| 77 | A | 39.8 | Very low | 40.6 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 83% | 0.826 | 84% | 0.836 | S | S | * | * | | | trans | -111.7 | 120 | 158 | 0 | 0 | 0 | 0 | 0 | 107.3 | A75 | A75-A77 PolarHBondContact O-N 3.26Š|
| 78 | M | 45.6 | Very low | 40.7 | Very low | 206 Ų | 206 | 139.5 Ų | 139.5 | 100% | 1.015 | 82% | 0.824 | S | S | * | * | | | trans | -57.7 | 130.3 | -176.6 | -83 | -98 | -82.9 | 0 | 0 | 112.3 | | |
| 79 | G | 36.6 | Very low | 41 | Very low | 77 Ų | 77 | 141.3 Ų | 141.3 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | | | trans | 162.4 | 88.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 80 | Q | 40.5 | Very low | 40.9 | Very low | 189 Ų | 189 | 139 Ų | 139 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | | | trans | -107.1 | 170.1 | 161.7 | -94.9 | -153.2 | -81.5 | 0 | 0 | 108.8 | | |
| 81 | P | 51.1 | Low | 40.9 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 69% | 0.688 | 82% | 0.817 | S | S | * | * | | | cis | -134.3 | 154.9 | -25.9 | 33.7 | -17.1 | 0 | 0 | 0 | 112.6 | | |
| 82 | L | 36.8 | Very low | 41.8 | Very low | 174 Ų | 174 | 134 Ų | 134 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | | | trans | -166.3 | 125.9 | 140.7 | -159.1 | 53.8 | 0 | 0 | 0 | 110.8 | | |
| 83 | R | 47.4 | Very low | 42.3 | Very low | 235 Ų | 235 | 138.5 Ų | 138.5 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | | | trans | -83.4 | 136.6 | 169.6 | -58.3 | -168.4 | 85.2 | -175.1 | 6.7 | 108.4 | | |
| 84 | D | 33.8 | Very low | 43 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 88% | 0.882 | 82% | 0.822 | S | S | * | * | | | trans | -163.8 | 143.7 | 131 | -143.7 | -13.3 | 0 | 0 | 0 | 113.7 | | |
| 85 | G | 38.8 | Very low | 43.4 | Very low | 73 Ų | 73 | 144.6 Ų | 144.6 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | | | trans | 48.1 | 125.5 | 147.3 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 86 | G | 36.2 | Very low | 43.7 | Very low | 79 Ų | 79 | 145.6 Ų | 145.6 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | | | trans | 134.9 | 96.4 | 133.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 87 | R | 42.7 | Very low | 43.8 | Very low | 215 Ų | 215 | 142.5 Ų | 142.5 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | | | trans | 18.2 | 132.8 | 138.9 | -86 | 172 | 176.1 | -103 | 4.6 | 121.6 | | |
| 88 | Q | 44.2 | Very low | 44.4 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 59% | 0.593 | 80% | 0.798 | S | S | * | * | | | | 97.2 | 119 | 125 | -80 | 179.5 | 123.2 | 0 | 0 | 122.8 | | |
| 89 | H | 42 | Very low | 44.5 | Very low | 153 Ų | 153 | 144 Ų | 144 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | | | trans | 86.6 | 133.7 | 139.2 | -59.7 | -55.2 | 0 | 0 | 0 | 124 | | |
| 90 | S | 43.9 | Very low | 45.2 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | | | trans | 107.4 | 111 | 135.8 | -60.3 | 0 | 0 | 0 | 0 | 121.9 | | |
| 91 | G | 44.8 | Very low | 45.5 | Very low | 71 Ų | 71 | 147.5 Ų | 147.5 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | | | trans | 115.9 | 127.5 | 136.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | R93 | G91-R93 PolarHBondContact O-N 3Š|
| 92 | P | 52.5 | Low | 45.6 | Very low | 134 Ų | 134 | 151.8 Ų | 151.8 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | | | trans | -88.4 | 100.3 | 173.1 | 32.6 | -27.5 | 0 | 0 | 0 | 111.5 | R94 | P92-R94 PolarHBondContact O-N 3.19Š|
| 93 | R | 48.5 | Very low | 46.3 | Very low | 203 Ų | 203 | 147.2 Ų | 147.2 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | | | trans | -81.6 | 107.8 | 176.3 | -160.7 | 170.2 | -165.7 | -134.5 | 2.6 | 110.2 | G91 H95 | G91-R93 PolarHBondContact O-N 3Å; R93-H95 WeakPolarHBondContact CD-NE2 3.28Å; R93-H95 PolarHBondContact NH1-CE1 2.91Å; R93-H95 PolarHBondContact O-N 3.43Å |
| 94 | R | 52.5 | Low | 46.6 | Very low | 234 Ų | 234 | 143.9 Ų | 143.9 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | -63 | 120.4 | 170.8 | -60.6 | -170.9 | -167.3 | -160.6 | 4.6 | 109.1 | P92 | P92-R94 PolarHBondContact O-N 3.19Š|
| 95 | H | 49.6 | Very low | 47.5 | Very low | 142 Ų | 142 | 144.5 Ų | 144.5 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | | | trans | -109.5 | 104.7 | 170.4 | -73.7 | -59.8 | 0 | 0 | 0 | 110.2 | R93 | R93-H95 WeakPolarHBondContact CD-NE2 3.28Å; R93-H95 PolarHBondContact NH1-CE1 2.91Å; R93-H95 PolarHBondContact O-N 3.43Å |
| 96 | S | 45.8 | Very low | 48.2 | Very low | 116 Ų | 116 | 148.4 Ų | 148.4 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | trans | -54.1 | 143 | 166.3 | -42.3 | 0 | 0 | 0 | 0 | 112 | | |
| 97 | G | 46 | Very low | 49.5 | Very low | 70 Ų | 70 | 154.6 Ų | 154.6 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | trans | 80.8 | 101.7 | 135.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | R99 | G97-R99 PolarHBondContact O-N 2.94Å; G97-R99 VanDerWaalsContact O-N 3.11Å |
| 98 | S | 54.2 | Low | 50 | Low | 102 Ų | 102 | 150.9 Ų | 150.9 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | | | trans | -13.7 | 101.1 | 145.1 | 173.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 99 | R | 45.8 | Very low | 50.4 | Low | 236 Ų | 236 | 148 Ų | 148 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | | | trans | -116.6 | 90.4 | 138.3 | -72 | -171.1 | -158.3 | -150.7 | 3.4 | 106.6 | G97 T101 | G97-R99 PolarHBondContact O-N 2.94Å; G97-R99 VanDerWaalsContact O-N 3.11Å; R99-T101 PolarHBondContact O-N 3.33Å |
| 100 | R | 51.5 | Low | 51.1 | Low | 218 Ų | 218 | 144 Ų | 144 | 82% | 0.823 | 78% | 0.777 | S | S | * | * | | | trans | -50.2 | 118.1 | 169.2 | -73.6 | -176.1 | -177.6 | 167.6 | 1.3 | 107.4 | Q102 | R100-Q102 PolarHBondContact O-N 2.84Š|
| 101 | T | 48.1 | Very low | 51.6 | Low | 121 Ų | 121 | 144 Ų | 144 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | | | trans | -63.9 | 67.4 | 174.9 | -21.8 | 0 | 0 | 0 | 0 | 109.3 | R99 A103 | R99-T101 PolarHBondContact O-N 3.33Å; T101-A103 PolarHBondContact O-N 3.12Å |
| 102 | Q | 52.6 | Low | 52.2 | Low | 195 Ų | 195 | 148.2 Ų | 148.2 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 22 | 168.3 | -104.8 | -165.9 | -0.4 | 0 | 0 | 111.6 | R100 | R100-Q102 PolarHBondContact O-N 2.84Š|
| 103 | A | 51.7 | Low | 52.4 | Low | 78 Ų | 78 | 143.8 Ų | 143.8 | 65% | 0.645 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -0.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T101 | T101-A103 PolarHBondContact O-N 3.12Š|
| 104 | Q | 53.7 | Low | 53 | Low | 166 Ų | 166 | 137.9 Ų | 137.9 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -143.4 | 37.7 | -172.9 | -75.9 | -174.2 | -12.6 | 0 | 0 | 115.9 | | |
| 105 | L | 51.7 | Low | 53.4 | Low | 178 Ų | 178 | 128.1 Ų | 128.1 | 93% | 0.932 | 71% | 0.709 | S | S | * | * | | | trans | -117.3 | 22.5 | 161.5 | -72.4 | 172.2 | 0 | 0 | 0 | 112.8 | R107 | L105-R107 VanDerWaalsContact C-N 3.34Å; L105-R107 PolarHBondContact O-N 3.32Å; L105-R107 VanDerWaalsContact O-N 3.11Å |
| 106 | L | 54.2 | Low | 54 | Low | 155 Ų | 155 | 128.3 Ų | 128.3 | 81% | 0.812 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -77.5 | 93.9 | 158.3 | -67.2 | 172.5 | 0 | 0 | 0 | 108 | | |
| 107 | R | 62.6 | Low | 54.9 | Low | 209 Ų | 209 | 127.8 Ų | 127.8 | 79% | 0.789 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 75.4 | 92.6 | 151.3 | -49.2 | 179.1 | -166.7 | -152.3 | 3.1 | 117.9 | L105 | L105-R107 VanDerWaalsContact C-N 3.34Å; L105-R107 PolarHBondContact O-N 3.32Å; L105-R107 VanDerWaalsContact O-N 3.11Å |
| 108 | V | 54.1 | Low | 56 | Low | 136 Ų | 136 | 130.4 Ų | 130.4 | 82% | 0.824 | 70% | 0.695 | S | S | * | * | S | Bend | | -146.3 | -27.7 | 129.5 | -166.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 109 | G | 53 | Low | 56.7 | Low | 66 Ų | 66 | 130 Ų | 130 | 68% | 0.68 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -1.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 110 | C | 56.8 | Low | 57.9 | Low | 71 Ų | 71 | 123.5 Ų | 123.5 | 48% | 0.48 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.4 | 12.3 | -172.9 | -153.5 | 0 | 0 | 0 | 0 | 113.6 | C115 | C110-C115 WeakPolarHBondContact CA-SG 3.46Å; C110-C115 HydrophobicContact CB-CB 3.77Å; C110-C115 WeakPolarHBondContact CB-SG 3.34Å; C110-C115 WeakPolarHBondContact SG-CB 3.47Å; C110-C115 CovalentContact SG-SG 2.02Å; C110-C115 PolarHBondContact SG-SG 2.78Å |
| 111 | V | 54.8 | Low | 58.8 | Low | 124 Ų | 124 | 116.3 Ų | 116.3 | 75% | 0.752 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -21 | -179.3 | 178 | 0 | 0 | 0 | 0 | 112 | | |
| 112 | L | 56.2 | Low | 59.8 | Low | 159 Ų | 159 | 115.6 Ų | 115.6 | 83% | 0.832 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 10.2 | -179.7 | -66.4 | 167 | 0 | 0 | 0 | 114 | T114 | L112-T114 VanDerWaalsContact C-N 3.26Å; L112-T114 PolarHBondContact O-N 3.48Å; L112-T114 VanDerWaalsContact O-N 3.15Å |
| 113 | G | 57.8 | Low | 60.5 | Low | 41 Ų | 41 | 113.5 Ų | 113.5 | 42% | 0.423 | 62% | 0.623 | S | S | . | * | S | Bend | trans | 76.6 | -9.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 114 | T | 60.5 | Low | 61.5 | Low | 78 Ų | 78 | 113.1 Ų | 113.1 | 48% | 0.479 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -79 | -20.9 | -174.3 | 59.2 | 0 | 0 | 0 | 0 | 114.8 | L112 Q116 Q118 | L112-T114 VanDerWaalsContact C-N 3.26Å; L112-T114 PolarHBondContact O-N 3.48Å; L112-T114 VanDerWaalsContact O-N 3.15Å; T114-Q116 VanDerWaalsContact C-N 3.28Å; T114-Q116 PolarHBondContact O-N 2.8Å; T114-Q118 WeakPolarHBondContact O-CG 3.28Å; T114-Q118 PolarHBondContact O-N 2.76Å; T114-Q118 PolarHBondContact O-NE2 2.82Å |
| 115 | C | 61.6 | Low | 62.4 | Low | 30 Ų | 30 | 114 Ų | 114 | 20% | 0.203 | 61% | 0.606 | C | S | . | * | H | α-helix | trans | -64.3 | -28.2 | 174.8 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | C110 N119 | C110-C115 WeakPolarHBondContact CA-SG 3.46Å; C110-C115 HydrophobicContact CB-CB 3.77Å; C110-C115 WeakPolarHBondContact CB-SG 3.34Å; C110-C115 WeakPolarHBondContact SG-CB 3.47Å; C110-C115 CovalentContact SG-SG 2.02Å; C110-C115 PolarHBondContact SG-SG 2.78Å; C115-N119 WeakPolarHBondContact O-CB 3.45Å; C115-N119 PolarHBondContact O-N 3.45Å |
| 116 | Q | 61.8 | Low | 63.1 | Low | 145 Ų | 145 | 111.1 Ų | 111.1 | 68% | 0.678 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -72.1 | -46.8 | -177.7 | -73.8 | -174.9 | 3.6 | 0 | 0 | 110.9 | T114 N119 L120 | T114-Q116 VanDerWaalsContact C-N 3.28Å; T114-Q116 PolarHBondContact O-N 2.8Å; Q116-N119 PolarHBondContact O-N 3.08Å; Q116-L120 WeakPolarHBondContact O-CB 3.21Å; Q116-L120 PolarHBondContact O-N 3.4Å |
| 117 | V | 65.3 | Low | 63.8 | Low | 105 Ų | 105 | 110.3 Ų | 110.3 | 64% | 0.636 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.5 | -40.6 | 179.5 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | L120 S121 | V117-L120 PolarHBondContact O-N 2.88Å; V117-S121 WeakPolarHBondContact O-CB 3.31Å; V117-S121 PolarHBondContact O-N 3.41Å; V117-S121 PolarHBondContact O-OG 3.09Å |
| 118 | Q | 68.5 | Low | 64 | Low | 125 Ų | 125 | 106.9 Ų | 106.9 | 58% | 0.584 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71 | -36.1 | 179.5 | -71.5 | 170.3 | 68.4 | 0 | 0 | 112.8 | T114 S121 H122 | T114-Q118 WeakPolarHBondContact O-CG 3.28Å; T114-Q118 PolarHBondContact O-N 2.76Å; T114-Q118 PolarHBondContact O-NE2 2.82Å; Q118-S121 PolarHBondContact O-OG 3.3Å; Q118-S121 VanDerWaalsContact O-OG 3.12Å; Q118-H122 WeakPolarHBondContact O-CB 3.19Å; Q118-H122 PolarHBondContact O-N 3.02Å |
| 119 | N | 68.4 | Low | 64.5 | Low | 93 Ų | 93 | 101.4 Ų | 101.4 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.2 | -41.4 | 174.2 | -163.5 | -81.5 | 0 | 0 | 0 | 111.2 | C115 Q116 R123 | C115-N119 WeakPolarHBondContact O-CB 3.45Å; C115-N119 PolarHBondContact O-N 3.45Å; Q116-N119 PolarHBondContact O-N 3.08Å; N119-R123 WeakPolarHBondContact O-CB 3.19Å; N119-R123 WeakPolarHBondContact O-CG 3.49Å; N119-R123 PolarHBondContact O-N 3.22Å; N119-R123 PolarHBondContact OD1-NE 3.27Å; N119-R123 VanDerWaalsContact OD1-NE 3.17Å |
| 120 | L | 72.1 | Confident | 64.6 | Low | 100 Ų | 100 | 102.3 Ų | 102.3 | 52% | 0.524 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 179 | -176.6 | 63.9 | 0 | 0 | 0 | 111.4 | Q116 V117 H122 R123 L124 | Q116-L120 WeakPolarHBondContact O-CB 3.21Å; Q116-L120 PolarHBondContact O-N 3.4Å; V117-L120 PolarHBondContact O-N 2.88Å; L120-H122 VanDerWaalsContact C-N 3.34Å; L120-H122 PolarHBondContact O-N 3Å; L120-R123 PolarHBondContact O-N 2.94Å; L120-L124 HydrophobicContact CD1-CD1 4.1Å; L120-L124 HydrophobicContact CD1-CG 4.15Å; L120-L124 HydrophobicContact CD2-CD1 4.4Å; L120-L124 HydrophobicContact CG-CD1 3.81Å; L120-L124 HydrophobicContact CG-CG 4.28Å; L120-L124 VanDerWaalsContact O-CB 3.28Å; L120-L124 WeakPolarHBondContact O-CB 3.47Å; L120-L124 VanDerWaalsContact O-CG 3.31Å; L120-L124 WeakPolarHBondContact O-CG 3.4Å; L120-L124 PolarHBondContact O-N 3.06Å |
| 121 | S | 68.6 | Low | 64.5 | Low | 68 Ų | 68 | 103.9 Ų | 103.9 | 48% | 0.476 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.2 | -40.3 | 179.6 | 66.9 | 0 | 0 | 0 | 0 | 111.9 | V117 Q118 L124 W125 | V117-S121 WeakPolarHBondContact O-CB 3.31Å; V117-S121 PolarHBondContact O-N 3.41Å; V117-S121 PolarHBondContact O-OG 3.09Å; Q118-S121 PolarHBondContact O-OG 3.3Å; Q118-S121 VanDerWaalsContact O-OG 3.12Å; S121-L124 PolarHBondContact O-N 3.49Å; S121-W125 WeakPolarHBondContact O-CB 3.49Å; S121-W125 PolarHBondContact O-N 3.34Å |
| 122 | H | 70 | Confident | 64.5 | Low | 106 Ų | 106 | 101.3 Ų | 101.3 | 49% | 0.491 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.9 | -42.3 | 175.1 | -179.1 | -97.1 | 0 | 0 | 0 | 112.1 | Q118 L120 W125 Q126 | Q118-H122 WeakPolarHBondContact O-CB 3.19Å; Q118-H122 PolarHBondContact O-N 3.02Å; L120-H122 VanDerWaalsContact C-N 3.34Å; L120-H122 PolarHBondContact O-N 3Å; H122-W125 PolarHBondContact O-N 3.36Å; H122-Q126 PolarHBondContact CE1-NE2 2.97Å; H122-Q126 WeakPolarHBondContact O-CG 2.95Å; H122-Q126 PolarHBondContact O-N 2.77Å |
| 123 | R | 67.7 | Low | 64.3 | Low | 150 Ų | 150 | 103 Ų | 103 | 57% | 0.566 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.3 | -43.2 | 174.4 | -81.5 | 179.8 | 176.7 | -117.6 | -0.9 | 112.1 | N119 L120 W125 Q126 L127 | N119-R123 WeakPolarHBondContact O-CB 3.19Å; N119-R123 WeakPolarHBondContact O-CG 3.49Å; N119-R123 PolarHBondContact O-N 3.22Å; N119-R123 PolarHBondContact OD1-NE 3.27Å; N119-R123 VanDerWaalsContact OD1-NE 3.17Å; L120-R123 PolarHBondContact O-N 2.94Å; R123-W125 VanDerWaalsContact C-N 3.33Å; R123-Q126 WeakPolarHBondContact O-CB 3.2Å; R123-Q126 PolarHBondContact O-N 3.36Å; R123-L127 WeakPolarHBondContact O-CB 3.31Å; R123-L127 VanDerWaalsContact O-CG 3.28Å; R123-L127 WeakPolarHBondContact O-CG 3.33Å; R123-L127 PolarHBondContact O-N 3.27Å |
| 124 | L | 72.7 | Confident | 63.9 | Low | 70 Ų | 70 | 107.2 Ų | 107.2 | 37% | 0.366 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.8 | -38.9 | 176.6 | -77.8 | 174.2 | 0 | 0 | 0 | 111 | L120 S121 Q126 L127 M128 | L120-L124 HydrophobicContact CD1-CD1 4.1Å; L120-L124 HydrophobicContact CD1-CG 4.15Å; L120-L124 HydrophobicContact CD2-CD1 4.4Å; L120-L124 HydrophobicContact CG-CD1 3.81Å; L120-L124 HydrophobicContact CG-CG 4.28Å; L120-L124 VanDerWaalsContact O-CB 3.28Å; L120-L124 WeakPolarHBondContact O-CB 3.47Å; L120-L124 VanDerWaalsContact O-CG 3.31Å; L120-L124 WeakPolarHBondContact O-CG 3.4Å; L120-L124 PolarHBondContact O-N 3.06Å; S121-L124 PolarHBondContact O-N 3.49Å; L124-Q126 VanDerWaalsContact C-N 3.33Å; L124-Q126 PolarHBondContact O-N 3.47Å; L124-L127 PolarHBondContact O-N 3.3Å; L124-M128 HydrophobicContact CB-CE 3.77Å; L124-M128 HydrophobicContact CD2-CE 4.27Å; L124-M128 HydrophobicContact CD2-SD 4.29Å; L124-M128 HydrophobicContact CG-CE 4.48Å; L124-M128 WeakPolarHBondContact O-CA 3.46Å; L124-M128 WeakPolarHBondContact O-CB 3.45Å; L124-M128 VanDerWaalsContact O-CG 3.31Å; L124-M128 WeakPolarHBondContact O-CG 3.46Å; L124-M128 PolarHBondContact O-N 3.3Å |
| 125 | W | 72 | Confident | 63.5 | Low | 184 Ų | 184 | 111.8 Ų | 111.8 | 70% | 0.697 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65 | -34.7 | 172.3 | -174.6 | 89.2 | 0 | 0 | 0 | 112.7 | S121 H122 R123 G129 | S121-W125 WeakPolarHBondContact O-CB 3.49Å; S121-W125 PolarHBondContact O-N 3.34Å; H122-W125 PolarHBondContact O-N 3.36Å; R123-W125 VanDerWaalsContact C-N 3.33Å; W125-G129 WeakPolarHBondContact O-CA 3.39Å; W125-G129 PolarHBondContact O-N 3.49Å |
| 126 | Q | 67.3 | Low | 63 | Low | 119 Ų | 119 | 112.7 Ų | 112.7 | 56% | 0.556 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.3 | -37.7 | 173.6 | -73.1 | 179.5 | -25 | 0 | 0 | 112.9 | H122 R123 L124 | H122-Q126 PolarHBondContact CE1-NE2 2.97Å; H122-Q126 WeakPolarHBondContact O-CG 2.95Å; H122-Q126 PolarHBondContact O-N 2.77Å; R123-Q126 WeakPolarHBondContact O-CB 3.2Å; R123-Q126 PolarHBondContact O-N 3.36Å; L124-Q126 VanDerWaalsContact C-N 3.33Å; L124-Q126 PolarHBondContact O-N 3.47Å |
| 127 | L | 68.1 | Low | 62.8 | Low | 137 Ų | 137 | 108.6 Ų | 108.6 | 72% | 0.717 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -82.2 | -34.2 | -178.1 | -69.3 | 168.9 | 0 | 0 | 0 | 112.9 | R123 L124 | R123-L127 WeakPolarHBondContact O-CB 3.31Å; R123-L127 VanDerWaalsContact O-CG 3.28Å; R123-L127 WeakPolarHBondContact O-CG 3.33Å; R123-L127 PolarHBondContact O-N 3.27Å; L124-L127 PolarHBondContact O-N 3.3Å |
| 128 | M | 67 | Low | 62.4 | Low | 138 Ų | 138 | 109.4 Ų | 109.4 | 68% | 0.68 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -103 | -5.7 | -178.5 | -54.5 | -174.7 | -53.4 | 0 | 0 | 112.9 | L124 | L124-M128 HydrophobicContact CB-CE 3.77Å; L124-M128 HydrophobicContact CD2-CE 4.27Å; L124-M128 HydrophobicContact CD2-SD 4.29Å; L124-M128 HydrophobicContact CG-CE 4.48Å; L124-M128 WeakPolarHBondContact O-CA 3.46Å; L124-M128 WeakPolarHBondContact O-CB 3.45Å; L124-M128 VanDerWaalsContact O-CG 3.31Å; L124-M128 WeakPolarHBondContact O-CG 3.46Å; L124-M128 PolarHBondContact O-N 3.3Å |
| 129 | G | 63.6 | Low | 62 | Low | 20 Ų | 20 | 107.9 Ų | 107.9 | 21% | 0.206 | 59% | 0.589 | C | S | . | * | S | Bend | trans | -55.8 | 151.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | W125 A131 | W125-G129 WeakPolarHBondContact O-CA 3.39Å; W125-G129 PolarHBondContact O-N 3.49Å; G129-A131 PolarHBondContact O-N 3.39Å |
| 130 | P | 55.5 | Low | 61.6 | Low | 85 Ų | 85 | 107.2 Ų | 107.2 | 55% | 0.552 | 59% | 0.585 | S | S | * | * | | | trans | -36.1 | 103 | -157.2 | -27.8 | 27.4 | 0 | 0 | 0 | 112.8 | P57 G132 R133 | P57-P130 HydrophobicContact CB-CB 4.05Å; P57-P130 HydrophobicContact CG-CB 4.45Å; P130-G132 VanDerWaalsContact C-N 3.27Å; P130-G132 PolarHBondContact O-N 2.96Å; P130-R133 PolarHBondContact O-N 3.47Å |
| 131 | A | 55 | Low | 61 | Low | 105 Ų | 105 | 108.6 Ų | 108.6 | 87% | 0.868 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 91.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 108 | G129 | G129-A131 PolarHBondContact O-N 3.39Š|
| 132 | G | 54.9 | Low | 60.7 | Low | 69 Ų | 69 | 110.3 Ų | 110.3 | 71% | 0.711 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.1 | 10.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | P130 | P130-G132 VanDerWaalsContact C-N 3.27Å; P130-G132 PolarHBondContact O-N 2.96Å |
| 133 | R | 52.2 | Low | 59.8 | Low | 194 Ų | 194 | 107.8 Ų | 107.8 | 73% | 0.732 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -110.8 | 80.8 | 169.8 | -159.7 | 168.8 | 178.7 | 176.1 | -0.6 | 112.8 | P130 | P130-R133 PolarHBondContact O-N 3.47Š|
| 134 | Q | 48.7 | Very low | 59.7 | Low | 130 Ų | 130 | 106 Ų | 106 | 61% | 0.607 | 61% | 0.614 | S | S | * | * | | | trans | 89.3 | 100.6 | 148.6 | -57.7 | 171.2 | 122.1 | 0 | 0 | 116.2 | S136 | Q134-S136 WeakPolarHBondContact CB-OG 3.48Å; Q134-S136 PolarHBondContact O-N 3.25Å |
| 135 | D | 52.5 | Low | 59.1 | Low | 174 Ų | 174 | 110.1 Ų | 110.1 | 93% | 0.93 | 63% | 0.632 | S | S | * | * | | | trans | -53.1 | 55.5 | 130.8 | -57.8 | -59.6 | 0 | 0 | 0 | 110.7 | A137 | D135-A137 PolarHBondContact O-N 3.34Å; D135-A137 VanDerWaalsContact O-N 3.12Å |
| 136 | S | 51.5 | Low | 58.6 | Low | 49 Ų | 49 | 103.2 Ų | 103.2 | 34% | 0.343 | 61% | 0.611 | S | S | . | * | | | trans | -65 | 115.9 | 164.4 | -75.5 | 0 | 0 | 0 | 0 | 104.4 | Q134 | Q134-S136 WeakPolarHBondContact CB-OG 3.48Å; Q134-S136 PolarHBondContact O-N 3.25Å |
| 137 | A | 57.8 | Low | 58.2 | Low | 60 Ų | 60 | 107.2 Ų | 107.2 | 50% | 0.496 | 62% | 0.623 | S | S | . | * | | | trans | -49.5 | 134.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | D135 V139 | D135-A137 PolarHBondContact O-N 3.34Å; D135-A137 VanDerWaalsContact O-N 3.12Å; A137-V139 PolarHBondContact O-N 3.34Å |
| 138 | P | 56.7 | Low | 57.7 | Low | 121 Ų | 121 | 103.8 Ų | 103.8 | 79% | 0.786 | 62% | 0.62 | S | S | * | * | | | trans | -48.4 | 121.1 | -179.9 | -24.1 | 31.1 | 0 | 0 | 0 | 108.4 | D140 | P138-D140 PolarHBondContact O-N 3Š|
| 139 | V | 59.5 | Low | 57.2 | Low | 94 Ų | 94 | 102.1 Ų | 102.1 | 57% | 0.57 | 62% | 0.617 | S | S | * | * | | | trans | -55.1 | 111.1 | 178.7 | 165 | 0 | 0 | 0 | 0 | 106.6 | A137 P141 | A137-V139 PolarHBondContact O-N 3.34Å; V139-P141 WeakPolarHBondContact O-CD 3.45Å |
| 140 | D | 59.9 | Low | 56.9 | Low | 78 Ų | 78 | 106.4 Ų | 106.4 | 42% | 0.417 | 64% | 0.638 | S | S | . | * | | | trans | -73.8 | 110.4 | 178.6 | 174.3 | 19.2 | 0 | 0 | 0 | 107.1 | P138 S142 S143 S146 | P138-D140 PolarHBondContact O-N 3Å; D140-S142 PolarHBondContact O-N 3.16Å; D140-S142 WeakPolarHBondContact OD1-CB 3.31Å; D140-S142 PolarHBondContact OD1-N 2.98Å; D140-S142 VanDerWaalsContact OD1-N 3.09Å; D140-S143 PolarHBondContact O-N 3.19Å; D140-S146 PolarHBondContact N-OG 2.97Å |
| 141 | P | 60.7 | Low | 56.9 | Low | 130 Ų | 130 | 107.6 Ų | 107.6 | 84% | 0.844 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -9.7 | -177.1 | 30.7 | -36.5 | 0 | 0 | 0 | 112.6 | V139 | V139-P141 WeakPolarHBondContact O-CD 3.45Š|
| 142 | S | 62.1 | Low | 57.1 | Low | 104 Ų | 104 | 107.7 Ų | 107.7 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -9.7 | 179 | -164.9 | 0 | 0 | 0 | 0 | 113.9 | D140 | D140-S142 PolarHBondContact O-N 3.16Å; D140-S142 WeakPolarHBondContact OD1-CB 3.31Å; D140-S142 PolarHBondContact OD1-N 2.98Å; D140-S142 VanDerWaalsContact OD1-N 3.09Å |
| 143 | S | 49.8 | Very low | 57.2 | Low | 52 Ų | 52 | 110.1 Ų | 110.1 | 36% | 0.364 | 63% | 0.625 | S | S | . | * | | | trans | -113.8 | 118.7 | -177.5 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | D140 H145 S146 | D140-S143 PolarHBondContact O-N 3.19Å; S143-H145 PolarHBondContact O-N 3.41Å; S143-H145 VanDerWaalsContact O-N 3.08Å; S143-S146 PolarHBondContact O-N 3.49Å |
| 144 | P | 66.9 | Low | 57.5 | Low | 112 Ų | 112 | 104.5 Ų | 104.5 | 73% | 0.727 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -6.8 | -179.9 | 25.9 | -32.3 | 0 | 0 | 0 | 114.3 | | |
| 145 | H | 59.3 | Low | 58.2 | Low | 158 Ų | 158 | 102.7 Ų | 102.7 | 73% | 0.731 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | 9.2 | 178.3 | -75.5 | 171.2 | 0 | 0 | 0 | 114.1 | S143 Y147 | S143-H145 PolarHBondContact O-N 3.41Å; S143-H145 VanDerWaalsContact O-N 3.08Å; H145-Y147 PolarHBondContact O-N 3.5Å; H145-Y147 VanDerWaalsContact O-N 3.14Å |
| 146 | S | 61.4 | Low | 58.6 | Low | 38 Ų | 38 | 97.2 Ų | 97.2 | 27% | 0.266 | 60% | 0.595 | S | S | . | * | | | trans | -82 | 91.5 | 174.9 | -167.5 | 0 | 0 | 0 | 0 | 110.6 | D140 S143 | D140-S146 PolarHBondContact N-OG 2.97Å; S143-S146 PolarHBondContact O-N 3.49Å |
| 147 | Y | 59.4 | Low | 59.2 | Low | 204 Ų | 204 | 101.3 Ų | 101.3 | 80% | 0.8 | 62% | 0.616 | S | S | * | * | | | trans | -105.2 | 51.9 | 174.1 | -66 | -86.7 | 0 | 0 | 0 | 111.3 | H145 | H145-Y147 PolarHBondContact O-N 3.5Å; H145-Y147 VanDerWaalsContact O-N 3.14Å |
| 148 | G | 56.5 | Low | 59.3 | Low | 64 Ų | 64 | 105 Ų | 105 | 66% | 0.66 | 63% | 0.627 | S | S | * | * | | | trans | 55.9 | 0 | 162.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |