| 1 | M | 62.1 | Low | 87.5 | Confident | 194 Ų | 194 | 120.4 Ų | 120.4 | 96% | 0.956 | 59% | 0.588 | S | S | * | * | | | | 0 | 109.9 | 0 | -177.7 | -170.9 | -174.8 | 0 | 0 | 107.5 | R12 | M1-R12 PolarHBondContact SD-NH2 2.89Å; M1-R12 VanDerWaalsContact CE-NH2 3.29Å |
| 2 | E | 86.1 | Confident | 87.4 | Confident | 157 Ų | 157 | 116.3 Ų | 116.3 | 73% | 0.734 | 56% | 0.562 | S | S | * | * | | | trans | -99.6 | 149.7 | -174.8 | -63.5 | 176.1 | 168.7 | 0 | 0 | 110.8 | R12 | E2-R12 PolarHBondContact O-NH1 3.17Š|
| 3 | I | 88 | Confident | 87.2 | Confident | 91 Ų | 91 | 114.6 Ų | 114.6 | 47% | 0.467 | 56% | 0.556 | S | S | . | * | | | trans | -96.3 | 118.6 | 173.4 | -65.9 | 159.5 | 0 | 0 | 0 | 107.5 | G5 D8 L9 | I3-G5 VanDerWaalsContact C-N 3.3Å; I3-G5 PolarHBondContact O-N 2.89Å; I3-D8 WeakPolarHBondContact CA-OD2 3.33Å; I3-L9 HydrophobicContact CD1-CD1 4.04Å; I3-L9 HydrophobicContact CG2-CB 3.9Å |
| 4 | R | 92.5 | Very high | 86.9 | Confident | 221 Ų | 221 | 113.1 Ų | 113.1 | 83% | 0.834 | 56% | 0.564 | S | S | * | * | | | trans | -88.2 | 10.1 | -172.4 | -64.8 | -177.9 | -178.3 | -101.6 | -1.4 | 114.4 | D8 | R4-D8 PolarHBondContact N-OD2 2.99Š|
| 5 | G | 93.1 | Very high | 86.4 | Confident | 36 Ų | 36 | 112.1 Ų | 112.1 | 37% | 0.371 | 57% | 0.566 | S | S | . | * | S | Bend | trans | 145 | -177.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | I3 L7 D8 L9 | I3-G5 VanDerWaalsContact C-N 3.3Å; I3-G5 PolarHBondContact O-N 2.89Å; G5-L7 VanDerWaalsContact C-N 3.33Å; G5-L7 PolarHBondContact O-N 3.02Å; G5-D8 PolarHBondContact O-N 3.05Å; G5-L9 PolarHBondContact O-N 2.93Å |
| 6 | A | 91.9 | Very high | 85.7 | Confident | 65 Ų | 65 | 113.4 Ų | 113.4 | 54% | 0.537 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.1 | -35.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R10 | A6-R10 WeakPolarHBondContact O-CG 3.46Å; A6-R10 PolarHBondContact O-N 3.18Å |
| 7 | L | 93.5 | Very high | 85 | Confident | 127 Ų | 127 | 120.9 Ų | 120.9 | 67% | 0.665 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.1 | -43.4 | 178.3 | -178.7 | 62.8 | 0 | 0 | 0 | 112 | G5 R10 K11 | G5-L7 VanDerWaalsContact C-N 3.33Å; G5-L7 PolarHBondContact O-N 3.02Å; L7-R10 PolarHBondContact O-N 3.18Å; L7-K11 PolarHBondContact O-N 3.02Å |
| 8 | D | 91.3 | Very high | 84.3 | Confident | 52 Ų | 52 | 118.1 Ų | 118.1 | 28% | 0.278 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.1 | -42.9 | 176.2 | 179 | 37.2 | 0 | 0 | 0 | 111 | I3 R4 G5 R10 K11 R12 | I3-D8 WeakPolarHBondContact CA-OD2 3.33Å; R4-D8 PolarHBondContact N-OD2 2.99Å; G5-D8 PolarHBondContact O-N 3.05Å; D8-R10 PolarHBondContact O-N 2.99Å; D8-K11 PolarHBondContact O-N 3.3Å; D8-R12 WeakPolarHBondContact O-CB 3.14Å; D8-R12 VanDerWaalsContact O-CG 3.28Å; D8-R12 WeakPolarHBondContact O-CG 3.36Å; D8-R12 PolarHBondContact O-N 3.38Å; D8-R12 WeakPolarHBondContact OD1-CD 3.36Å |
| 9 | L | 88.4 | Confident | 83.7 | Confident | 71 Ų | 71 | 120.3 Ų | 120.3 | 37% | 0.372 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -56.4 | -52.4 | 172.7 | -179.4 | 61.4 | 0 | 0 | 0 | 111.7 | I3 G5 K11 R12 L13 | I3-L9 HydrophobicContact CD1-CD1 4.04Å; I3-L9 HydrophobicContact CG2-CB 3.9Å; G5-L9 PolarHBondContact O-N 2.93Å; L9-K11 VanDerWaalsContact C-N 3.34Å; L9-K11 PolarHBondContact O-N 3.42Å; L9-R12 PolarHBondContact O-N 3.33Å; L9-L13 PolarHBondContact O-N 3Å; L9-L13 WeakPolarHBondContact O-CG 3.28Å; L9-L13 HydrophobicContact CG-CG 4.35Å; L9-L13 HydrophobicContact CD1-CG 4.05Å; L9-L13 HydrophobicContact CG-CD1 3.91Å; L9-L13 HydrophobicContact CD1-CD1 3.98Å |
| 10 | R | 88.4 | Confident | 83.3 | Confident | 161 Ų | 161 | 120.5 Ų | 120.5 | 61% | 0.608 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -59.5 | -43.7 | -179.7 | -75.1 | -171.2 | -57.7 | -126.3 | 3.4 | 112.2 | A6 L7 D8 R12 L13 S14 | A6-R10 WeakPolarHBondContact O-CG 3.46Å; A6-R10 PolarHBondContact O-N 3.18Å; L7-R10 PolarHBondContact O-N 3.18Å; D8-R10 PolarHBondContact O-N 2.99Å; R10-R12 VanDerWaalsContact C-N 3.35Å; R10-R12 PolarHBondContact O-N 3.49Å; R10-L13 PolarHBondContact O-N 3.21Å; R10-S14 WeakPolarHBondContact O-CB 3.39Å; R10-S14 PolarHBondContact O-N 3.4Å; R10-S14 PolarHBondContact O-OG 3.35Å |
| 11 | K | 87.4 | Confident | 82.8 | Confident | 149 Ų | 149 | 118.7 Ų | 118.7 | 65% | 0.648 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59.5 | -48 | 177.1 | -172.9 | 177.2 | -179.7 | -179.2 | 0 | 110.5 | L7 D8 L9 S14 T15 | L7-K11 PolarHBondContact O-N 3.02Å; D8-K11 PolarHBondContact O-N 3.3Å; L9-K11 VanDerWaalsContact C-N 3.34Å; L9-K11 PolarHBondContact O-N 3.42Å; K11-S14 PolarHBondContact O-N 2.98Å; K11-S14 PolarHBondContact O-OG 3.33Å; K11-T15 PolarHBondContact O-N 3.44Å; K11-T15 PolarHBondContact O-OG1 3.34Å |
| 12 | R | 85.9 | Confident | 83.4 | Confident | 72 Ų | 72 | 115 Ų | 115 | 27% | 0.272 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.8 | -42.4 | -179.9 | -70.1 | 170.9 | 59.4 | 175 | -4.8 | 112.8 | M1 E2 D8 L9 R10 S14 T15 H16 | M1-R12 PolarHBondContact SD-NH2 2.89Å; M1-R12 VanDerWaalsContact CE-NH2 3.29Å; E2-R12 PolarHBondContact O-NH1 3.17Å; D8-R12 WeakPolarHBondContact O-CB 3.14Å; D8-R12 VanDerWaalsContact O-CG 3.28Å; D8-R12 WeakPolarHBondContact O-CG 3.36Å; D8-R12 PolarHBondContact O-N 3.38Å; D8-R12 WeakPolarHBondContact OD1-CD 3.36Å; L9-R12 PolarHBondContact O-N 3.33Å; R10-R12 VanDerWaalsContact C-N 3.35Å; R10-R12 PolarHBondContact O-N 3.49Å; R12-S14 VanDerWaalsContact C-N 3.31Å; R12-S14 PolarHBondContact O-N 3.37Å; R12-T15 PolarHBondContact O-N 3.05Å; R12-H16 WeakPolarHBondContact O-CB 3.11Å; R12-H16 PolarHBondContact O-N 3.31Å |
| 13 | L | 85.3 | Confident | 82.7 | Confident | 94 Ų | 94 | 113.1 Ų | 113.1 | 49% | 0.492 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.4 | -34.5 | 174.9 | -67.5 | 176.3 | 0 | 0 | 0 | 112.5 | L9 R10 S18 | L9-L13 PolarHBondContact O-N 3Å; L9-L13 WeakPolarHBondContact O-CG 3.28Å; L9-L13 HydrophobicContact CG-CG 4.35Å; L9-L13 HydrophobicContact CD1-CG 4.05Å; L9-L13 HydrophobicContact CG-CD1 3.91Å; L9-L13 HydrophobicContact CD1-CD1 3.98Å; R10-L13 PolarHBondContact O-N 3.21Å; L13-S18 WeakPolarHBondContact CD2-OG 3.42Å |
| 14 | S | 82.4 | Confident | 82.2 | Confident | 94 Ų | 94 | 114.1 Ų | 114.1 | 66% | 0.657 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.6 | -30.1 | 177.4 | 73 | 0 | 0 | 0 | 0 | 113.3 | R10 K11 R12 | R10-S14 WeakPolarHBondContact O-CB 3.39Å; R10-S14 PolarHBondContact O-N 3.4Å; R10-S14 PolarHBondContact O-OG 3.35Å; K11-S14 PolarHBondContact O-N 2.98Å; K11-S14 PolarHBondContact O-OG 3.33Å; R12-S14 VanDerWaalsContact C-N 3.31Å; R12-S14 PolarHBondContact O-N 3.37Å |
| 15 | T | 79.5 | Confident | 81.6 | Confident | 97 Ų | 97 | 109.2 Ų | 109.2 | 60% | 0.595 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -95.8 | -20.6 | -175.9 | -49.6 | 0 | 0 | 0 | 0 | 112.6 | K11 R12 | K11-T15 PolarHBondContact O-N 3.44Å; K11-T15 PolarHBondContact O-OG1 3.34Å; R12-T15 PolarHBondContact O-N 3.05Å |
| 16 | H | 75.8 | Confident | 80.7 | Confident | 133 Ų | 133 | 114.4 Ų | 114.4 | 62% | 0.616 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -125 | 129.6 | -176.8 | -73.5 | 23.7 | 0 | 0 | 0 | 111.1 | R12 S18 | R12-H16 WeakPolarHBondContact O-CB 3.11Å; R12-H16 PolarHBondContact O-N 3.31Å; H16-S18 PolarHBondContact O-N 2.68Å |
| 17 | R | 74.2 | Confident | 79.7 | Confident | 242 Ų | 242 | 116.5 Ų | 116.5 | 91% | 0.913 | 64% | 0.639 | S | S | * | * | | | trans | -60.3 | 111 | 169 | -176 | 177.8 | 177.2 | -173.9 | -1 | 108.4 | I19 | R17-I19 PolarHBondContact O-N 3.38Š|
| 18 | S | 71 | Confident | 78.8 | Confident | 70 Ų | 70 | 119.6 Ų | 119.6 | 49% | 0.49 | 65% | 0.65 | S | S | . | * | | | trans | -72.9 | 125 | 176.6 | -63.9 | 0 | 0 | 0 | 0 | 109.5 | L13 H16 | L13-S18 WeakPolarHBondContact CD2-OG 3.42Å; H16-S18 PolarHBondContact O-N 2.68Å |
| 19 | I | 74.5 | Confident | 77.8 | Confident | 159 Ų | 159 | 123 Ų | 123 | 82% | 0.815 | 67% | 0.673 | S | S | * | * | | | trans | -97.7 | 103.8 | 170.1 | -57.7 | 174.2 | 0 | 0 | 0 | 105.7 | R17 A21 | R17-I19 PolarHBondContact O-N 3.38Å; I19-A21 PolarHBondContact O-N 3.23Å |
| 20 | T | 74.3 | Confident | 77 | Confident | 124 Ų | 124 | 123.5 Ų | 123.5 | 76% | 0.761 | 69% | 0.687 | S | S | * | * | | | trans | -81.9 | 112.4 | 173.9 | -49.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 21 | A | 72.8 | Confident | 76.3 | Confident | 84 Ų | 84 | 123.3 Ų | 123.3 | 69% | 0.694 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 118.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | I19 V23 | I19-A21 PolarHBondContact O-N 3.23Å; A21-V23 PolarHBondContact O-N 2.94Å |
| 22 | S | 75.2 | Confident | 75.6 | Confident | 116 Ų | 116 | 121.6 Ų | 121.6 | 81% | 0.811 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -69 | 122.1 | 171.6 | -60.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 23 | V | 72.4 | Confident | 74.8 | Confident | 118 Ų | 118 | 124 Ų | 124 | 72% | 0.715 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 128.6 | 173.5 | -176.2 | 0 | 0 | 0 | 0 | 107.6 | A21 | A21-V23 PolarHBondContact O-N 2.94Š|
| 24 | P | 76.1 | Confident | 74 | Confident | 111 Ų | 111 | 125.8 Ų | 125.8 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 139.4 | 171.2 | 24.4 | -31.1 | 0 | 0 | 0 | 109.5 | L26 | P24-L26 PolarHBondContact O-N 3.45Š|
| 25 | S | 80.3 | Confident | 73.5 | Confident | 119 Ų | 119 | 130.6 Ų | 130.6 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 123.6 | -178 | -47.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 26 | L | 73.5 | Confident | 73.2 | Confident | 144 Ų | 144 | 132.3 Ų | 132.3 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 132.9 | 171.1 | -67.1 | 173.6 | 0 | 0 | 0 | 107.8 | P24 E28 | P24-L26 PolarHBondContact O-N 3.45Å; L26-E28 PolarHBondContact O-N 3.43Å |
| 27 | P | 72.2 | Confident | 73.1 | Confident | 110 Ų | 110 | 132.2 Ų | 132.2 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 124.5 | 176.3 | 24.9 | -31.9 | 0 | 0 | 0 | 108.6 | V29 | P27-V29 PolarHBondContact O-N 3.48Š|
| 28 | E | 74.5 | Confident | 73 | Confident | 192 Ų | 192 | 126.1 Ų | 126.1 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | | | trans | -62 | 108.7 | 170.6 | -67.7 | -175.5 | 151.7 | 0 | 0 | 107.6 | L26 A30 | L26-E28 PolarHBondContact O-N 3.43Å; E28-A30 VanDerWaalsContact C-N 3.28Å; E28-A30 PolarHBondContact O-N 2.98Å |
| 29 | V | 69.9 | Low | 73.1 | Confident | 124 Ų | 124 | 129.4 Ų | 129.4 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | trans | -73.1 | 91.7 | 171.9 | -179.7 | 0 | 0 | 0 | 0 | 106.6 | P27 L31 | P27-V29 PolarHBondContact O-N 3.48Å; V29-L31 PolarHBondContact O-N 3.03Å |
| 30 | A | 70.8 | Confident | 73 | Confident | 80 Ų | 80 | 127.6 Ų | 127.6 | 66% | 0.661 | 79% | 0.793 | S | S | * | * | | | trans | -63.1 | 107.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | E28 T32 | E28-A30 VanDerWaalsContact C-N 3.28Å; E28-A30 PolarHBondContact O-N 2.98Å; A30-T32 PolarHBondContact O-N 2.92Å |
| 31 | L | 73.5 | Confident | 73 | Confident | 158 Ų | 158 | 127.8 Ų | 127.8 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | | | trans | -66.8 | 91 | 166 | -67.3 | 173.5 | 0 | 0 | 0 | 106.6 | V29 P33 | V29-L31 PolarHBondContact O-N 3.03Å; L31-P33 WeakPolarHBondContact O-CD 3.44Å |
| 32 | T | 72.9 | Confident | 73 | Confident | 113 Ų | 113 | 130.9 Ų | 130.9 | 69% | 0.693 | 80% | 0.802 | S | S | * | * | | | trans | -66.4 | 114.6 | 168.9 | 47.8 | 0 | 0 | 0 | 0 | 107.3 | A30 V34 | A30-T32 PolarHBondContact O-N 2.92Å; T32-V34 PolarHBondContact O-N 3.45Å |
| 33 | P | 70.6 | Confident | 72.8 | Confident | 122 Ų | 122 | 132.1 Ų | 132.1 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | | | trans | -60.6 | 122.5 | 169.1 | 24.4 | -29.9 | 0 | 0 | 0 | 107.9 | L31 | L31-P33 WeakPolarHBondContact O-CD 3.44Š|
| 34 | V | 68.8 | Low | 72.8 | Confident | 131 Ų | 131 | 133.3 Ų | 133.3 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | -70.8 | 134.6 | 170.4 | 179.7 | 0 | 0 | 0 | 0 | 106.8 | T32 | T32-V34 PolarHBondContact O-N 3.45Š|
| 35 | P | 71.1 | Confident | 72.5 | Confident | 195 Ų | 195 | 135.3 Ų | 135.3 | 100% | 1.266 | 82% | 0.817 | S | S | * | * | | | trans | -59 | 0 | -164.4 | 23.1 | -36.3 | 0 | 0 | 0 | 115.5 | | |