| 1 | M | 52.3 | Low | 73.7 | Confident | 225 Ų | 225 | 116.9 Ų | 116.9 | 100% | 1.108 | 63% | 0.634 | S | S | * | * | | | | 0 | 112.1 | 0 | -64.4 | 165.4 | 80.1 | 0 | 0 | 107.1 | | |
| 2 | S | 59.6 | Low | 74.4 | Confident | 97 Ų | 97 | 111.8 Ų | 111.8 | 68% | 0.678 | 61% | 0.612 | S | S | * | * | | | trans | -66.9 | 133.3 | -176.9 | -78.6 | 0 | 0 | 0 | 0 | 111.3 | A4 Q5 | S2-A4 PolarHBondContact O-N 3Å; S2-Q5 PolarHBondContact O-N 2.75Å |
| 3 | G | 68.4 | Low | 74.9 | Confident | 53 Ų | 53 | 116.5 Ų | 116.5 | 55% | 0.546 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -53.9 | -25.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q5 G6 H7 | G3-Q5 PolarHBondContact O-N 3.1Å; G3-Q5 VanDerWaalsContact C-N 3.26Å; G3-G6 VanDerWaalsContact O-N 3.15Å; G3-G6 PolarHBondContact O-N 2.86Å; G3-H7 PolarHBondContact O-CD2 2.94Å; G3-H7 PolarHBondContact O-N 2.72Å; G3-H7 VanDerWaalsContact O-N 3.16Å |
| 4 | A | 70.2 | Confident | 75.1 | Confident | 74 Ų | 74 | 113.9 Ų | 113.9 | 61% | 0.612 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -56.7 | -35.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S2 H7 F8 | S2-A4 PolarHBondContact O-N 3Å; A4-H7 PolarHBondContact O-N 3.18Å; A4-F8 PolarHBondContact O-N 2.69Å |
| 5 | Q | 72.3 | Confident | 74.9 | Confident | 124 Ų | 124 | 110.1 Ų | 110.1 | 58% | 0.579 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.7 | -34.9 | -179.8 | -152.2 | 171.2 | 20.4 | 0 | 0 | 111.5 | S2 G3 L9 | S2-Q5 PolarHBondContact O-N 2.75Å; G3-Q5 PolarHBondContact O-N 3.1Å; G3-Q5 VanDerWaalsContact C-N 3.26Å; Q5-L9 WeakPolarHBondContact O-CG 3.45Å; Q5-L9 VanDerWaalsContact O-N 3.14Å; Q5-L9 PolarHBondContact O-N 3.22Å; Q5-L9 VanDerWaalsContact O-CG 3.29Å |
| 6 | G | 81.3 | Confident | 74.5 | Confident | 45 Ų | 45 | 115.6 Ų | 115.6 | 46% | 0.464 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.8 | -38.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | G3 R10 | G3-G6 VanDerWaalsContact O-N 3.15Å; G3-G6 PolarHBondContact O-N 2.86Å; G6-R10 WeakPolarHBondContact O-CB 3.32Å; G6-R10 PolarHBondContact O-N 2.98Å |
| 7 | H | 80.6 | Confident | 73.9 | Confident | 127 Ų | 127 | 113 Ų | 113 | 59% | 0.588 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65 | -43.6 | 175.6 | -73.6 | -71.8 | 0 | 0 | 0 | 112.3 | G3 A4 R10 Q11 | G3-H7 PolarHBondContact O-CD2 2.94Å; G3-H7 PolarHBondContact O-N 2.72Å; G3-H7 VanDerWaalsContact O-N 3.16Å; A4-H7 PolarHBondContact O-N 3.18Å; H7-R10 PolarHBondContact O-N 3.26Å; H7-Q11 WeakPolarHBondContact O-CG 3.28Å; H7-Q11 PolarHBondContact O-N 2.94Å |
| 8 | F | 82.3 | Confident | 73.4 | Confident | 142 Ų | 142 | 111.7 Ų | 111.7 | 62% | 0.623 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.5 | -49.2 | 176.2 | -179.4 | -103.5 | 0 | 0 | 0 | 111.7 | A4 R10 Q11 C12 | A4-F8 PolarHBondContact O-N 2.69Å; F8-R10 VanDerWaalsContact C-N 3.3Å; F8-R10 PolarHBondContact O-N 3.27Å; F8-Q11 PolarHBondContact O-N 3.48Å; F8-C12 PolarHBondContact O-N 3.21Å; F8-C12 PolarHBondContact O-SG 2.95Å |
| 9 | L | 82 | Confident | 72.7 | Confident | 111 Ų | 111 | 117.1 Ų | 117.1 | 58% | 0.581 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.4 | -38.2 | 178.1 | -70.4 | 171.5 | 0 | 0 | 0 | 112.4 | Q5 C12 W13 | Q5-L9 WeakPolarHBondContact O-CG 3.45Å; Q5-L9 VanDerWaalsContact O-N 3.14Å; Q5-L9 PolarHBondContact O-N 3.22Å; Q5-L9 VanDerWaalsContact O-CG 3.29Å; L9-C12 PolarHBondContact O-N 2.88Å; L9-W13 WeakPolarHBondContact O-CB 3.46Å; L9-W13 PolarHBondContact O-N 3.41Å |
| 10 | R | 81.8 | Confident | 71.9 | Confident | 172 Ų | 172 | 114 Ų | 114 | 65% | 0.649 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.1 | -42 | 176.5 | -167 | 175.6 | -172.3 | -142.5 | 0.8 | 111.9 | G6 H7 F8 W13 L14 | G6-R10 WeakPolarHBondContact O-CB 3.32Å; G6-R10 PolarHBondContact O-N 2.98Å; H7-R10 PolarHBondContact O-N 3.26Å; F8-R10 VanDerWaalsContact C-N 3.3Å; F8-R10 PolarHBondContact O-N 3.27Å; R10-W13 PolarHBondContact O-N 2.93Å; R10-L14 WeakPolarHBondContact O-CB 3.36Å; R10-L14 PolarHBondContact O-N 3.24Å; R10-L14 WeakPolarHBondContact O-CG 3.34Å; R10-L14 VanDerWaalsContact O-CG 3.28Å; R10-L14 HydrophobicContact CG-CD1 4.25Å |
| 11 | Q | 80.6 | Confident | 71.2 | Confident | 116 Ų | 116 | 112.4 Ų | 112.4 | 54% | 0.542 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.3 | -42.1 | 174.9 | -69.2 | -63.2 | -26.4 | 0 | 0 | 111.5 | H7 F8 W13 L14 S15 | H7-Q11 WeakPolarHBondContact O-CG 3.28Å; H7-Q11 PolarHBondContact O-N 2.94Å; F8-Q11 PolarHBondContact O-N 3.48Å; Q11-W13 VanDerWaalsContact C-N 3.32Å; Q11-W13 PolarHBondContact O-N 2.86Å; Q11-L14 PolarHBondContact O-N 2.88Å; Q11-S15 VanDerWaalsContact O-OG 3.08Å; Q11-S15 PolarHBondContact O-OG 3.35Å; Q11-S15 WeakPolarHBondContact O-CB 3.28Å; Q11-S15 PolarHBondContact O-N 3.07Å; Q11-S15 VanDerWaalsContact O-CB 3.31Å |
| 12 | C | 82 | Confident | 71.3 | Confident | 56 Ų | 56 | 107.5 Ų | 107.5 | 38% | 0.378 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60 | -40.9 | 174.3 | -67.8 | 0 | 0 | 0 | 0 | 112.4 | F8 L9 R16 | F8-C12 PolarHBondContact O-N 3.21Å; F8-C12 PolarHBondContact O-SG 2.95Å; L9-C12 PolarHBondContact O-N 2.88Å; C12-R16 VanDerWaalsContact O-CB 3.28Å; C12-R16 WeakPolarHBondContact O-CB 3.35Å; C12-R16 PolarHBondContact O-N 2.97Å |
| 13 | W | 80.3 | Confident | 70.8 | Confident | 172 Ų | 172 | 107.3 Ų | 107.3 | 65% | 0.652 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.3 | -45.6 | 178.5 | -166.2 | 76.6 | 0 | 0 | 0 | 111.8 | L9 R10 Q11 S15 R16 S17 | L9-W13 WeakPolarHBondContact O-CB 3.46Å; L9-W13 PolarHBondContact O-N 3.41Å; R10-W13 PolarHBondContact O-N 2.93Å; Q11-W13 VanDerWaalsContact C-N 3.32Å; Q11-W13 PolarHBondContact O-N 2.86Å; W13-S15 PolarHBondContact O-N 3.44Å; W13-R16 PolarHBondContact O-N 3.39Å; W13-S17 PolarHBondContact O-N 2.93Å; W13-S17 PolarHBondContact O-OG 3.09Å |
| 14 | L | 77.4 | Confident | 70 | Confident | 80 Ų | 80 | 109.6 Ų | 109.6 | 42% | 0.419 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.6 | -42.8 | 175.5 | -71.8 | 168.8 | 0 | 0 | 0 | 112.1 | R10 Q11 S17 S18 | R10-L14 WeakPolarHBondContact O-CB 3.36Å; R10-L14 PolarHBondContact O-N 3.24Å; R10-L14 WeakPolarHBondContact O-CG 3.34Å; R10-L14 VanDerWaalsContact O-CG 3.28Å; R10-L14 HydrophobicContact CG-CD1 4.25Å; Q11-L14 PolarHBondContact O-N 2.88Å; L14-S17 PolarHBondContact O-N 3.44Å; L14-S18 WeakPolarHBondContact O-CB 3.4Å; L14-S18 PolarHBondContact O-OG 2.89Å; L14-S18 PolarHBondContact O-N 3.4Å |
| 15 | S | 73.1 | Confident | 69.3 | Low | 58 Ų | 58 | 110.6 Ų | 110.6 | 41% | 0.406 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.2 | -37.6 | 175.5 | -67.4 | 0 | 0 | 0 | 0 | 112.5 | Q11 W13 S17 S18 W19 | Q11-S15 VanDerWaalsContact O-OG 3.08Å; Q11-S15 PolarHBondContact O-OG 3.35Å; Q11-S15 WeakPolarHBondContact O-CB 3.28Å; Q11-S15 PolarHBondContact O-N 3.07Å; Q11-S15 VanDerWaalsContact O-CB 3.31Å; W13-S15 PolarHBondContact O-N 3.44Å; S15-S17 VanDerWaalsContact C-N 3.33Å; S15-S18 WeakPolarHBondContact CA-OG 3.44Å; S15-S18 PolarHBondContact O-N 2.98Å; S15-S18 PolarHBondContact O-OG 3.2Å; S15-S18 VanDerWaalsContact O-OG 3.07Å; S15-W19 PolarHBondContact O-N 3.34Å; S15-W19 WeakPolarHBondContact O-CB 3.31Å |
| 16 | R | 68.3 | Low | 68.2 | Low | 197 Ų | 197 | 112 Ų | 112 | 74% | 0.743 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.1 | -32.4 | 174.3 | 180 | 179.5 | -69.4 | 177.5 | -2.1 | 112.3 | C12 W13 | C12-R16 VanDerWaalsContact O-CB 3.28Å; C12-R16 WeakPolarHBondContact O-CB 3.35Å; C12-R16 PolarHBondContact O-N 2.97Å; W13-R16 PolarHBondContact O-N 3.39Å |
| 17 | S | 63.9 | Low | 66.8 | Low | 72 Ų | 72 | 114.7 Ų | 114.7 | 50% | 0.503 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -78.7 | -30.5 | 175.6 | -63.1 | 0 | 0 | 0 | 0 | 112.6 | W13 L14 S15 | W13-S17 PolarHBondContact O-N 2.93Å; W13-S17 PolarHBondContact O-OG 3.09Å; L14-S17 PolarHBondContact O-N 3.44Å; S15-S17 VanDerWaalsContact C-N 3.33Å |
| 18 | S | 64.6 | Low | 65.5 | Low | 89 Ų | 89 | 112.5 Ų | 112.5 | 62% | 0.622 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -81.1 | -31.6 | 177.9 | 67.3 | 0 | 0 | 0 | 0 | 112.9 | L14 S15 G20 | L14-S18 WeakPolarHBondContact O-CB 3.4Å; L14-S18 PolarHBondContact O-OG 2.89Å; L14-S18 PolarHBondContact O-N 3.4Å; S15-S18 WeakPolarHBondContact CA-OG 3.44Å; S15-S18 PolarHBondContact O-N 2.98Å; S15-S18 PolarHBondContact O-OG 3.2Å; S15-S18 VanDerWaalsContact O-OG 3.07Å; S18-G20 PolarHBondContact O-N 3.08Å |
| 19 | W | 60.9 | Low | 63.5 | Low | 214 Ų | 214 | 111 Ų | 111 | 81% | 0.811 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -75.5 | 77.2 | 159.5 | -73.3 | 47.8 | 0 | 0 | 0 | 106.5 | S15 A21 | S15-W19 PolarHBondContact O-N 3.34Å; S15-W19 WeakPolarHBondContact O-CB 3.31Å; W19-A21 PolarHBondContact O-N 3.4Å |
| 20 | G | 55.6 | Low | 62.2 | Low | 55 Ų | 55 | 114.5 Ų | 114.5 | 57% | 0.567 | 64% | 0.644 | S | S | * | * | | | trans | -37.6 | 131.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110 | S18 | S18-G20 PolarHBondContact O-N 3.08Š|
| 21 | A | 58.1 | Low | 60.7 | Low | 81 Ų | 81 | 109.9 Ų | 109.9 | 67% | 0.669 | 64% | 0.643 | S | S | * | * | | | trans | -34.8 | 130.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | W19 S23 | W19-A21 PolarHBondContact O-N 3.4Å; A21-S23 VanDerWaalsContact C-N 3.25Å; A21-S23 WeakPolarHBondContact O-CA 3.29Å; A21-S23 PolarHBondContact O-N 3.16Å |
| 22 | P | 54.6 | Low | 59.4 | Low | 122 Ų | 122 | 110.3 Ų | 110.3 | 79% | 0.792 | 65% | 0.653 | S | S | * | * | | | trans | -52.8 | 108.8 | 169.8 | 23.7 | -30.9 | 0 | 0 | 0 | 103.6 | A24 | P22-A24 VanDerWaalsContact C-N 3.35Å; P22-A24 PolarHBondContact O-N 3.15Å |
| 23 | S | 47.9 | Very low | 57.6 | Low | 93 Ų | 93 | 116 Ų | 116 | 65% | 0.65 | 67% | 0.672 | S | S | * | * | | | trans | -53.7 | 111.3 | -168.2 | -179.9 | 0 | 0 | 0 | 0 | 104.1 | A21 T25 | A21-S23 VanDerWaalsContact C-N 3.25Å; A21-S23 WeakPolarHBondContact O-CA 3.29Å; A21-S23 PolarHBondContact O-N 3.16Å; S23-T25 PolarHBondContact O-N 3.26Å; S23-T25 PolarHBondContact OG-OG1 3.06Å |
| 24 | A | 53.4 | Low | 56 | Low | 101 Ų | 101 | 113.7 Ų | 113.7 | 84% | 0.835 | 68% | 0.678 | S | S | * | * | | | trans | -72.3 | 38.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | P22 L26 | P22-A24 VanDerWaalsContact C-N 3.35Å; P22-A24 PolarHBondContact O-N 3.15Å; A24-L26 PolarHBondContact O-N 3.07Å; A24-L26 VanDerWaalsContact O-N 3.1Å |
| 25 | T | 54.5 | Low | 54.4 | Low | 95 Ų | 95 | 119 Ų | 119 | 58% | 0.583 | 72% | 0.722 | S | S | * | * | | | trans | -78.7 | 67.8 | 154 | -39 | 0 | 0 | 0 | 0 | 105.9 | S23 S27 | S23-T25 PolarHBondContact O-N 3.26Å; S23-T25 PolarHBondContact OG-OG1 3.06Å; T25-S27 PolarHBondContact O-N 2.98Å |
| 26 | L | 49 | Very low | 53.5 | Low | 155 Ų | 155 | 122.1 Ų | 122.1 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | | | trans | -71.3 | 59.8 | 158.5 | -170.3 | 76.3 | 0 | 0 | 0 | 108 | A24 A28 | A24-L26 PolarHBondContact O-N 3.07Å; A24-L26 VanDerWaalsContact O-N 3.1Å; L26-A28 VanDerWaalsContact C-N 3.26Å |
| 27 | S | 52.1 | Low | 52.7 | Low | 101 Ų | 101 | 118.1 Ų | 118.1 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -91 | 80 | 148.6 | -62 | 0 | 0 | 0 | 0 | 104.9 | T25 | T25-S27 PolarHBondContact O-N 2.98Š|
| 28 | A | 52.3 | Low | 52.1 | Low | 81 Ų | 81 | 120.7 Ų | 120.7 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | | | trans | 21.1 | 103.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | L26 K30 | L26-A28 VanDerWaalsContact C-N 3.26Å; A28-K30 PolarHBondContact O-N 3.39Å |
| 29 | P | 42.2 | Very low | 51.4 | Low | 109 Ų | 109 | 122.5 Ų | 122.5 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | | | trans | -75 | 109.5 | 151.4 | 30.9 | -24 | 0 | 0 | 0 | 106.2 | A31 | P29-A31 PolarHBondContact O-N 2.88Š|
| 30 | K | 53.5 | Low | 50.8 | Low | 186 Ų | 186 | 116.8 Ų | 116.8 | 81% | 0.809 | 76% | 0.755 | S | S | * | * | | | trans | -41.4 | 113.4 | 159.4 | 174.9 | -174.5 | 168.6 | 100.7 | 0 | 107 | A28 V32 | A28-K30 PolarHBondContact O-N 3.39Å; K30-V32 PolarHBondContact O-N 3.14Å |
| 31 | A | 51.2 | Low | 50.4 | Low | 75 Ų | 75 | 120.9 Ų | 120.9 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | | | trans | -58.3 | 102.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | P29 F33 | P29-A31 PolarHBondContact O-N 2.88Å; A31-F33 HydrophobicContact CB-CD2 4.21Å; A31-F33 HydrophobicContact CB-CE2 3.89Å; A31-F33 PolarHBondContact O-N 3.27Å |
| 32 | V | 52.4 | Low | 49.9 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | trans | -89.1 | 93.9 | 163 | 179.8 | 0 | 0 | 0 | 0 | 104.8 | K30 | K30-V32 PolarHBondContact O-N 3.14Š|
| 33 | F | 44.8 | Very low | 49.5 | Very low | 177 Ų | 177 | 123.9 Ų | 123.9 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -62.1 | 130.8 | 163.8 | -70.4 | -89.1 | 0 | 0 | 0 | 107.8 | A31 S35 | A31-F33 HydrophobicContact CB-CD2 4.21Å; A31-F33 HydrophobicContact CB-CE2 3.89Å; A31-F33 PolarHBondContact O-N 3.27Å; F33-S35 PolarHBondContact O-N 3.48Å |
| 34 | P | 45.4 | Very low | 49.7 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | | | trans | -69.7 | 130.2 | 163.9 | 30.1 | -30 | 0 | 0 | 0 | 108 | | |
| 35 | S | 45 | Very low | 49.3 | Very low | 192 Ų | 192 | 128.8 Ų | 128.8 | 100% | 1.343 | 78% | 0.779 | S | S | * | * | | | trans | -64 | 0 | 171.7 | 66.4 | 0 | 0 | 0 | 0 | 111.8 | F33 | F33-S35 PolarHBondContact O-N 3.48Š|