| 1 | M | 57.1 | Low | 63.8 | Low | 235 Ų | 235 | 168.6 Ų | 168.6 | 100% | 1.158 | 84% | 0.836 | S | S | * | * | | | | 0 | 132.4 | 0 | -61.5 | 87.9 | 158.2 | 0 | 0 | 107.2 | | |
| 2 | S | 61.1 | Low | 63.8 | Low | 115 Ų | 115 | 170.8 Ų | 170.8 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | | | cis | -159.5 | 138.8 | 12.5 | -79 | 0 | 0 | 0 | 0 | 108.6 | V4 | S2-V4 PolarHBondContact O-N 2.74Š|
| 3 | R | 69.4 | Low | 63 | Low | 238 Ų | 238 | 166.1 Ų | 166.1 | 90% | 0.898 | 83% | 0.829 | S | S | * | * | | | trans | -68.7 | 112.5 | 166.7 | -119.6 | -175.2 | -81.1 | -159.2 | -4.1 | 107.6 | K5 | R3-K5 PolarHBondContact O-N 3.14Å; R3-K5 VanDerWaalsContact O-N 3.09Å |
| 4 | V | 69.2 | Low | 63.2 | Low | 142 Ų | 142 | 165.4 Ų | 165.4 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | | | trans | -79.4 | 93.7 | 173.4 | 76.4 | 0 | 0 | 0 | 0 | 108.9 | S2 | S2-V4 PolarHBondContact O-N 2.74Š|
| 5 | K | 66.6 | Low | 62.6 | Low | 173 Ų | 173 | 160.8 Ų | 160.8 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | | | trans | -79.5 | 114.2 | 162.2 | -81.9 | 172.9 | 170.6 | 178.3 | 0 | 106.9 | R3 | R3-K5 PolarHBondContact O-N 3.14Å; R3-K5 VanDerWaalsContact O-N 3.09Å |
| 6 | N | 70.4 | Confident | 62 | Low | 129 Ų | 129 | 157.8 Ų | 157.8 | 69% | 0.69 | 79% | 0.793 | S | S | * | * | | | trans | -132.5 | 86.7 | 159.9 | -150.2 | 13.6 | 0 | 0 | 0 | 111 | R8 | N6-R8 PolarHBondContact O-N 3.14Š|
| 7 | Q | 61.2 | Low | 62 | Low | 177 Ų | 177 | 158.8 Ų | 158.8 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | trans | -83.6 | 81 | 170 | -64.7 | 177.8 | 13.9 | 0 | 0 | 109.3 | | |
| 8 | R | 60.6 | Low | 61.8 | Low | 230 Ų | 230 | 156.3 Ų | 156.3 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | | | trans | -147.9 | 90.1 | 173.2 | -65.1 | -169.9 | -167.8 | -173.3 | 5.4 | 112.1 | N6 | N6-R8 PolarHBondContact O-N 3.14Š|
| 9 | G | 60.7 | Low | 61.5 | Low | 73 Ų | 73 | 160.9 Ų | 160.9 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | | | trans | -169 | 68.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 10 | R | 60 | Low | 61.3 | Low | 234 Ų | 234 | 156.7 Ų | 156.7 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | | | trans | -56 | 135.7 | 172.3 | -68.9 | -172.2 | -177.2 | -170.5 | 1.7 | 108.3 | H12 | R10-H12 PolarHBondContact O-N 3.09Š|
| 11 | P | 65.6 | Low | 61.1 | Low | 109 Ų | 109 | 152.3 Ų | 152.3 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | | | trans | -64.3 | 132.2 | 174.5 | 26.3 | -32 | 0 | 0 | 0 | 109.2 | T13 | P11-T13 PolarHBondContact O-N 3.07Š|
| 12 | H | 64 | Low | 61.4 | Low | 195 Ų | 195 | 147.7 Ų | 147.7 | 90% | 0.903 | 76% | 0.761 | S | S | * | * | | | trans | -71.1 | 86.7 | 165.2 | -78.6 | -83 | 0 | 0 | 0 | 108 | R10 H14 | R10-H12 PolarHBondContact O-N 3.09Å; H12-H14 PolarHBondContact O-N 3.12Å; H12-H14 VanDerWaalsContact O-N 3.12Å |
| 13 | T | 53.3 | Low | 61.4 | Low | 109 Ų | 109 | 151.4 Ų | 151.4 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | | | trans | -73.8 | 98.5 | 164.4 | 52.6 | 0 | 0 | 0 | 0 | 107.2 | P11 T15 | P11-T13 PolarHBondContact O-N 3.07Å; T13-T15 PolarHBondContact O-N 2.96Å |
| 14 | H | 65.2 | Low | 61.1 | Low | 156 Ų | 156 | 144 Ų | 144 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | | | trans | -68.6 | 83.1 | 158.6 | 174.5 | -75.8 | 0 | 0 | 0 | 106.5 | H12 D16 | H12-H14 PolarHBondContact O-N 3.12Å; H12-H14 VanDerWaalsContact O-N 3.12Å; H14-D16 PolarHBondContact O-N 2.89Å |
| 15 | T | 54.4 | Low | 61 | Low | 97 Ų | 97 | 143.7 Ų | 143.7 | 60% | 0.595 | 74% | 0.739 | S | S | * | * | | | trans | -65.8 | 106.3 | 167.7 | -58.6 | 0 | 0 | 0 | 0 | 106.1 | T13 Q17 | T13-T15 PolarHBondContact O-N 2.96Å; T15-Q17 PolarHBondContact O-N 2.81Å |
| 16 | D | 54.1 | Low | 61 | Low | 112 Ų | 112 | 144.5 Ų | 144.5 | 60% | 0.599 | 74% | 0.739 | S | S | * | * | | | trans | -70.2 | 78.7 | 175.3 | -156.5 | -19.6 | 0 | 0 | 0 | 108.5 | H14 T18 | H14-D16 PolarHBondContact O-N 2.89Å; D16-T18 PolarHBondContact O-N 3.44Å; D16-T18 PolarHBondContact OD1-OG1 2.81Å |
| 17 | Q | 61.3 | Low | 61 | Low | 175 Ų | 175 | 143.4 Ų | 143.4 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 14.7 | -178.9 | -137.8 | 175.6 | 32.4 | 0 | 0 | 111.8 | T15 | T15-Q17 PolarHBondContact O-N 2.81Š|
| 18 | T | 58.4 | Low | 61.1 | Low | 114 Ų | 114 | 140.9 Ų | 140.9 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -2 | -172.2 | -23.8 | 0 | 0 | 0 | 0 | 113.8 | D16 A20 | D16-T18 PolarHBondContact O-N 3.44Å; D16-T18 PolarHBondContact OD1-OG1 2.81Å; T18-A20 PolarHBondContact O-N 3.11Å |
| 19 | R | 56.9 | Low | 61.4 | Low | 244 Ų | 244 | 135 Ų | 135 | 92% | 0.921 | 73% | 0.733 | S | S | * | * | | | trans | -79.3 | 47.5 | 166.1 | -156.2 | 178.6 | -180 | 177.2 | -0.3 | 110.8 | A21 | R19-A21 PolarHBondContact O-N 2.91Š|
| 20 | A | 55.9 | Low | 61.6 | Low | 76 Ų | 76 | 135 Ų | 135 | 63% | 0.628 | 73% | 0.727 | S | S | * | * | | | trans | -62.1 | 92 | 157.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | T18 V22 | T18-A20 PolarHBondContact O-N 3.11Å; A20-V22 VanDerWaalsContact C-N 3.3Å; A20-V22 PolarHBondContact O-N 2.92Å |
| 21 | A | 58 | Low | 61.8 | Low | 65 Ų | 65 | 129.6 Ų | 129.6 | 54% | 0.537 | 72% | 0.722 | S | S | . | * | | | trans | 33.3 | 63.2 | 131 | 0 | 0 | 0 | 0 | 0 | 114.1 | R19 Y23 | R19-A21 PolarHBondContact O-N 2.91Å; A21-Y23 HydrophobicContact CB-CD2 3.68Å; A21-Y23 HydrophobicContact CB-CE2 3.53Å; A21-Y23 PolarHBondContact O-N 2.76Å |
| 22 | V | 63.1 | Low | 61.7 | Low | 138 Ų | 138 | 130.9 Ų | 130.9 | 84% | 0.836 | 73% | 0.728 | S | S | * | * | | | trans | -71.3 | 75.5 | 158.5 | -176.1 | 0 | 0 | 0 | 0 | 105.2 | A20 P24 | A20-V22 VanDerWaalsContact C-N 3.3Å; A20-V22 PolarHBondContact O-N 2.92Å; V22-P24 VanDerWaalsContact O-CD 3.31Å; V22-P24 WeakPolarHBondContact O-CD 3.22Å |
| 23 | Y | 60.4 | Low | 61.6 | Low | 193 Ų | 193 | 126.5 Ų | 126.5 | 76% | 0.757 | 72% | 0.719 | S | S | * | * | | | trans | -69.2 | 117.8 | 161.9 | -73.4 | -75.6 | 0 | 0 | 0 | 105.4 | A21 V25 | A21-Y23 HydrophobicContact CB-CD2 3.68Å; A21-Y23 HydrophobicContact CB-CE2 3.53Å; A21-Y23 PolarHBondContact O-N 2.76Å; Y23-V25 PolarHBondContact O-N 2.75Å |
| 24 | P | 63.9 | Low | 62.2 | Low | 82 Ų | 82 | 126.8 Ų | 126.8 | 53% | 0.532 | 72% | 0.723 | S | S | . | * | | | trans | -57.5 | 118.2 | 169.5 | 23.5 | -30.2 | 0 | 0 | 0 | 107 | V22 Y26 | V22-P24 VanDerWaalsContact O-CD 3.31Å; V22-P24 WeakPolarHBondContact O-CD 3.22Å; P24-Y26 VanDerWaalsContact C-N 3.34Å; P24-Y26 WeakPolarHBondContact O-CD2 3.41Å; P24-Y26 PolarHBondContact O-N 3.11Å |
| 25 | V | 67.9 | Low | 61.7 | Low | 136 Ų | 136 | 123.6 Ų | 123.6 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | | | trans | -57.5 | 102.8 | 168.6 | 172.4 | 0 | 0 | 0 | 0 | 105.8 | Y23 P27 | Y23-V25 PolarHBondContact O-N 2.75Å; V25-P27 WeakPolarHBondContact O-CD 3.44Å |
| 26 | Y | 66.6 | Low | 61.7 | Low | 190 Ų | 190 | 125.7 Ų | 125.7 | 75% | 0.745 | 74% | 0.736 | S | S | * | * | | | trans | -64.4 | 118 | 172.1 | -66.5 | -80.9 | 0 | 0 | 0 | 106.6 | P24 C28 | P24-Y26 VanDerWaalsContact C-N 3.34Å; P24-Y26 WeakPolarHBondContact O-CD2 3.41Å; P24-Y26 PolarHBondContact O-N 3.11Å; Y26-C28 PolarHBondContact O-N 2.86Å |
| 27 | P | 68.8 | Low | 61.9 | Low | 106 Ų | 106 | 126.5 Ų | 126.5 | 69% | 0.688 | 75% | 0.746 | S | S | * | * | | | trans | -61.5 | 106.5 | 169 | 24.3 | -30.1 | 0 | 0 | 0 | 106.6 | V25 S29 | V25-P27 WeakPolarHBondContact O-CD 3.44Å; P27-S29 PolarHBondContact O-N 2.74Å; P27-S29 PolarHBondContact O-OG 2.73Å; P27-S29 VanDerWaalsContact O-OG 3.11Å |
| 28 | C | 64.1 | Low | 62.1 | Low | 124 Ų | 124 | 127.3 Ų | 127.3 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | | | trans | -57.8 | 92.3 | 172.7 | -172.4 | 0 | 0 | 0 | 0 | 106.7 | Y26 A30 | Y26-C28 PolarHBondContact O-N 2.86Å; C28-A30 PolarHBondContact O-N 3.32Å |
| 29 | S | 67.3 | Low | 62.1 | Low | 106 Ų | 106 | 126 Ų | 126 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | | | trans | -75.6 | 89 | 177.7 | -55.1 | 0 | 0 | 0 | 0 | 104.6 | P27 | P27-S29 PolarHBondContact O-N 2.74Å; P27-S29 PolarHBondContact O-OG 2.73Å; P27-S29 VanDerWaalsContact O-OG 3.11Å |
| 30 | A | 65.2 | Low | 62.5 | Low | 75 Ų | 75 | 124.6 Ų | 124.6 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | | | trans | -49.9 | 132.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | C28 T32 | C28-A30 PolarHBondContact O-N 3.32Å; A30-T32 PolarHBondContact O-N 2.59Å |
| 31 | P | 63.7 | Low | 63.1 | Low | 120 Ų | 120 | 131.3 Ų | 131.3 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | | | trans | -66.7 | 103.5 | -178.5 | 26.6 | -32.8 | 0 | 0 | 0 | 108.6 | S33 | P31-S33 VanDerWaalsContact C-N 3.25Å; P31-S33 PolarHBondContact O-N 3.01Å |
| 32 | T | 62.7 | Low | 63.3 | Low | 135 Ų | 135 | 138.4 Ų | 138.4 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | | | trans | -70.1 | 90.7 | 161.9 | 51.1 | 0 | 0 | 0 | 0 | 106.9 | A30 P34 | A30-T32 PolarHBondContact O-N 2.59Å; T32-P34 WeakPolarHBondContact O-CD 3.48Å |
| 33 | S | 63.2 | Low | 63.4 | Low | 103 Ų | 103 | 136.3 Ų | 136.3 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | trans | -69.3 | 112.8 | 163.2 | 43.3 | 0 | 0 | 0 | 0 | 107.2 | P31 A35 | P31-S33 VanDerWaalsContact C-N 3.25Å; P31-S33 PolarHBondContact O-N 3.01Å; S33-A35 PolarHBondContact O-N 2.9Å |
| 34 | P | 64.9 | Low | 63.3 | Low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | | | trans | -64 | 117.5 | 170.6 | 26.5 | -31.4 | 0 | 0 | 0 | 107.4 | T32 T36 | T32-P34 WeakPolarHBondContact O-CD 3.48Å; P34-T36 PolarHBondContact O-N 3.16Å; P34-T36 VanDerWaalsContact O-N 3.12Å |
| 35 | A | 54.7 | Low | 63.2 | Low | 90 Ų | 90 | 137.4 Ų | 137.4 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | | | trans | -53.2 | 117.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | S33 T37 | S33-A35 PolarHBondContact O-N 2.9Å; A35-T37 PolarHBondContact O-N 2.8Å; A35-T37 VanDerWaalsContact O-N 3.09Å |
| 36 | T | 55.1 | Low | 62.5 | Low | 140 Ų | 140 | 138.7 Ų | 138.7 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | | | trans | -71.2 | 91.4 | 178.5 | -45.4 | 0 | 0 | 0 | 0 | 110.1 | P34 | P34-T36 PolarHBondContact O-N 3.16Å; P34-T36 VanDerWaalsContact O-N 3.12Å |
| 37 | T | 57.2 | Low | 62.4 | Low | 130 Ų | 130 | 133.7 Ų | 133.7 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | | | trans | -146.9 | 66.8 | 166.2 | 61.8 | 0 | 0 | 0 | 0 | 112 | A35 | A35-T37 PolarHBondContact O-N 2.8Å; A35-T37 VanDerWaalsContact O-N 3.09Å |
| 38 | M | 65.7 | Low | 62.2 | Low | 191 Ų | 191 | 138.3 Ų | 138.3 | 94% | 0.941 | 80% | 0.803 | S | S | * | * | | | trans | -95.8 | 112.3 | 162.4 | -72.8 | -111.3 | -72.1 | 0 | 0 | 108.8 | | |
| 39 | S | 59.7 | Low | 61.8 | Low | 87 Ų | 87 | 136 Ų | 136 | 61% | 0.608 | 80% | 0.801 | S | S | * | * | | | trans | -36.7 | 136.8 | 179 | 56.5 | 0 | 0 | 0 | 0 | 113.7 | R41 | S39-R41 VanDerWaalsContact C-N 3.28Å; S39-R41 PolarHBondContact O-N 2.69Å |
| 40 | K | 63.7 | Low | 61.6 | Low | 215 Ų | 215 | 137.2 Ų | 137.2 | 94% | 0.935 | 80% | 0.799 | S | S | * | * | | | trans | -49.7 | 88.4 | 165.1 | -76.5 | 172.4 | 176.2 | 169.5 | 0 | 110.2 | | |
| 41 | R | 68.5 | Low | 61.7 | Low | 217 Ų | 217 | 143.3 Ų | 143.3 | 82% | 0.819 | 81% | 0.812 | S | S | * | * | | | trans | -122.7 | 110.2 | 161 | -71.3 | -160.3 | -67.2 | 175.2 | -0.7 | 108.1 | S39 A43 | S39-R41 VanDerWaalsContact C-N 3.28Å; S39-R41 PolarHBondContact O-N 2.69Å; R41-A43 PolarHBondContact O-N 3.27Å; R41-A43 VanDerWaalsContact O-N 3.14Å |
| 42 | K | 62.3 | Low | 62 | Low | 214 Ų | 214 | 142 Ų | 142 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | | | trans | -66 | 102.8 | 174.4 | -63.6 | -74.8 | -174.8 | 172.9 | 0 | 107.4 | | |
| 43 | A | 64.9 | Low | 62.3 | Low | 94 Ų | 94 | 144.7 Ų | 144.7 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | | | trans | -135.4 | 106.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 106 | R41 G45 | R41-A43 PolarHBondContact O-N 3.27Å; R41-A43 VanDerWaalsContact O-N 3.14Å; A43-G45 PolarHBondContact O-N 2.83Å; A43-G45 VanDerWaalsContact O-N 3.14Å |
| 44 | K | 59.6 | Low | 62.4 | Low | 224 Ų | 224 | 145.4 Ų | 145.4 | 97% | 0.974 | 80% | 0.802 | S | S | * | * | | | trans | -70 | 101.8 | -179.8 | -164 | -173.5 | -176.5 | -168.3 | 0 | 106.4 | | |
| 45 | G | 61.5 | Low | 62.7 | Low | 74 Ų | 74 | 147.6 Ų | 147.6 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | | | trans | -156 | 69 | -177.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | A43 | A43-G45 PolarHBondContact O-N 2.83Å; A43-G45 VanDerWaalsContact O-N 3.14Å |
| 46 | D | 53.7 | Low | 63.2 | Low | 163 Ų | 163 | 149.8 Ų | 149.8 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | | | trans | -71.5 | 121.2 | 170.3 | -179.9 | -122.4 | 0 | 0 | 0 | 109 | | |
| 47 | A | 63.5 | Low | 63.4 | Low | 85 Ų | 85 | 151 Ų | 151 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | | | trans | 175.8 | 107 | 146.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 48 | K | 64.2 | Low | 63.5 | Low | 202 Ų | 202 | 149.2 Ų | 149.2 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | | | trans | 33.3 | 102.8 | 141.8 | -68.6 | -76.9 | -175.5 | 168.8 | 0 | 117.1 | | |
| 49 | G | 57.3 | Low | 63.6 | Low | 77 Ų | 77 | 148.3 Ų | 148.3 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | -59.5 | 137.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 50 | D | 63.2 | Low | 63.8 | Low | 130 Ų | 130 | 154.8 Ų | 154.8 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | | | trans | -117.6 | 77.7 | 152.3 | -164.9 | 37.4 | 0 | 0 | 0 | 107.8 | T52 | D50-T52 PolarHBondContact O-N 2.83Å; D50-T52 VanDerWaalsContact O-N 3.11Å; D50-T52 WeakPolarHBondContact OD1-CG2 3.19Å; D50-T52 WeakPolarHBondContact OD2-CG2 3.31Å; D50-T52 PolarHBondContact OD2-OG1 2.82Å |
| 51 | K | 65.9 | Low | 63.8 | Low | 204 Ų | 204 | 149 Ų | 149 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | | | trans | -81.1 | 72.1 | 161.7 | -72.1 | -177.5 | -178.6 | 178.3 | 0 | 106.3 | K53 | K51-K53 PolarHBondContact O-N 2.89Š|
| 52 | T | 69.6 | Low | 63.6 | Low | 93 Ų | 93 | 146.2 Ų | 146.2 | 57% | 0.571 | 77% | 0.768 | S | S | * | * | | | trans | -63 | 91.1 | 160.7 | 31.4 | 0 | 0 | 0 | 0 | 106.6 | D50 V54 | D50-T52 PolarHBondContact O-N 2.83Å; D50-T52 VanDerWaalsContact O-N 3.11Å; D50-T52 WeakPolarHBondContact OD1-CG2 3.19Å; D50-T52 WeakPolarHBondContact OD2-CG2 3.31Å; D50-T52 PolarHBondContact OD2-OG1 2.82Å; T52-V54 PolarHBondContact O-N 3.23Å |
| 53 | K | 69.5 | Low | 63.6 | Low | 191 Ų | 191 | 146.9 Ų | 146.9 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | | | trans | -68.4 | 80 | 162.6 | -166 | 169.4 | -176.4 | 173.9 | 0 | 104.9 | K51 K55 | K51-K53 PolarHBondContact O-N 2.89Å; K53-K55 PolarHBondContact O-N 3.1Å |
| 54 | V | 66.7 | Low | 63.5 | Low | 117 Ų | 117 | 149.4 Ų | 149.4 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | | | trans | -64.1 | 93.1 | 169.4 | -179.7 | 0 | 0 | 0 | 0 | 104.8 | T52 D56 | T52-V54 PolarHBondContact O-N 3.23Å; V54-D56 HydrophobicContact CG1-CB 4.19Å; V54-D56 PolarHBondContact O-N 3.36Å |
| 55 | K | 70.2 | Confident | 63.9 | Low | 162 Ų | 162 | 144.4 Ų | 144.4 | 70% | 0.704 | 76% | 0.757 | S | S | * | * | | | trans | -73.8 | 73.6 | 167.7 | -151.3 | 179.9 | -164.3 | 175.7 | 0 | 103.3 | K53 K57 | K53-K55 PolarHBondContact O-N 3.1Å; K55-K57 HydrophobicContact CG-CG 4.47Å; K55-K57 PolarHBondContact O-N 3.15Å |
| 56 | D | 64.4 | Low | 64.1 | Low | 135 Ų | 135 | 144.8 Ų | 144.8 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | | | trans | -65.6 | 89.7 | 169.3 | -172.7 | 56.1 | 0 | 0 | 0 | 106.6 | V54 | V54-D56 HydrophobicContact CG1-CB 4.19Å; V54-D56 PolarHBondContact O-N 3.36Å |
| 57 | K | 60.1 | Low | 64.9 | Low | 167 Ų | 167 | 145.9 Ų | 145.9 | 73% | 0.726 | 75% | 0.75 | S | S | * | * | | | trans | -117.5 | 100.1 | 159.4 | -68.8 | -170.3 | 176.3 | -159.3 | 0 | 101.9 | K55 | K55-K57 HydrophobicContact CG-CG 4.47Å; K55-K57 PolarHBondContact O-N 3.15Å |
| 58 | P | 58.9 | Low | 65.3 | Low | 92 Ų | 92 | 147.6 Ų | 147.6 | 60% | 0.597 | 75% | 0.754 | S | S | * | * | | | | -156.2 | 104.3 | 105.4 | 34.6 | -13.3 | 0 | 0 | 0 | 112.4 | | |
| 59 | Q | 67.3 | Low | 65.8 | Low | 171 Ų | 171 | 142.1 Ų | 142.1 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | | | trans | -121.9 | 86.9 | 141.3 | -154.6 | 166.8 | -16.8 | 0 | 0 | 106.7 | | |
| 60 | R | 64.4 | Low | 66.6 | Low | 224 Ų | 224 | 143.9 Ų | 143.9 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | | | trans | -48.8 | 119.3 | 162.3 | -67.7 | -177.4 | 173.8 | 114.4 | -1.6 | 104.3 | E62 | R60-E62 PolarHBondContact O-N 3.06Š|
| 61 | P | 63.3 | Low | 67 | Low | 93 Ų | 93 | 143.5 Ų | 143.5 | 60% | 0.604 | 75% | 0.749 | S | S | * | * | | | trans | -53.3 | 139.8 | -177.6 | 22.5 | -32.4 | 0 | 0 | 0 | 107 | R63 | P61-R63 HydrophobicContact CG-CG 4.4Å; P61-R63 WeakPolarHBondContact O-CG 3.45Å; P61-R63 PolarHBondContact O-N 2.79Å |
| 62 | E | 65.8 | Low | 67.4 | Low | 159 Ų | 159 | 143 Ų | 143 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | | | trans | -42 | 85.8 | 164.5 | -140.5 | 82 | -164.4 | 0 | 0 | 106.7 | R60 L64 | R60-E62 PolarHBondContact O-N 3.06Å; E62-L64 PolarHBondContact O-N 2.8Å |
| 63 | R | 61.5 | Low | 67.5 | Low | 228 Ų | 228 | 144.5 Ų | 144.5 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | | | trans | -78.8 | 84.2 | -178.9 | -86.8 | -170.8 | 174.4 | -171.5 | -1.9 | 101.8 | P61 S65 | P61-R63 HydrophobicContact CG-CG 4.4Å; P61-R63 WeakPolarHBondContact O-CG 3.45Å; P61-R63 PolarHBondContact O-N 2.79Å; R63-S65 PolarHBondContact O-N 2.89Å; R63-S65 VanDerWaalsContact O-N 3.16Å |
| 64 | L | 63.5 | Low | 67.6 | Low | 147 Ų | 147 | 143.7 Ų | 143.7 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | | | trans | -16.2 | 114.9 | 172.5 | -66.3 | 166.9 | 0 | 0 | 0 | 108.1 | E62 A66 | E62-L64 PolarHBondContact O-N 2.8Å; L64-A66 PolarHBondContact O-N 3.12Å |
| 65 | S | 66.7 | Low | 67.7 | Low | 119 Ų | 119 | 143.9 Ų | 143.9 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | | | trans | -55.7 | 18.4 | 176.4 | -166.7 | 0 | 0 | 0 | 0 | 113.8 | R63 K67 | R63-S65 PolarHBondContact O-N 2.89Å; R63-S65 VanDerWaalsContact O-N 3.16Å; S65-K67 PolarHBondContact O-N 2.83Å |
| 66 | A | 65.6 | Low | 67.8 | Low | 82 Ų | 82 | 142 Ų | 142 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | trans | -64.1 | 85.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | L64 P68 | L64-A66 PolarHBondContact O-N 3.12Å; A66-P68 VanDerWaalsContact O-N 3.08Å |
| 67 | K | 70.9 | Confident | 68 | Low | 186 Ų | 186 | 141.2 Ų | 141.2 | 81% | 0.809 | 77% | 0.765 | S | S | * | * | | | trans | -40.7 | 120.3 | 158.8 | -81.1 | 162.3 | 173.1 | 167.2 | 0 | 106.4 | S65 A69 | S65-K67 PolarHBondContact O-N 2.83Å; K67-A69 PolarHBondContact O-N 3.39Å |
| 68 | P | 71.9 | Confident | 68.3 | Low | 120 Ų | 120 | 142.9 Ų | 142.9 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 136.3 | 176.2 | 21.4 | -31 | 0 | 0 | 0 | 107.6 | A66 | A66-P68 VanDerWaalsContact O-N 3.08Š|
| 69 | A | 74.7 | Confident | 68.8 | Low | 87 Ų | 87 | 147.3 Ų | 147.3 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 135.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | K67 | K67-A69 PolarHBondContact O-N 3.39Š|
| 70 | P | 74.2 | Confident | 68.7 | Low | 114 Ų | 114 | 143 Ų | 143 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 136.1 | 179.4 | 19.2 | -29.2 | 0 | 0 | 0 | 108.9 | K72 | P70-K72 PolarHBondContact O-N 2.94Š|
| 71 | P | 71.8 | Confident | 68.7 | Low | 123 Ų | 123 | 137.9 Ų | 137.9 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 138.5 | -179.1 | 20 | -30.1 | 0 | 0 | 0 | 109.2 | | |
| 72 | K | 73.7 | Confident | 68.8 | Low | 193 Ų | 193 | 140.7 Ų | 140.7 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 128.6 | -178.6 | -65.7 | -174.6 | 176.1 | 80.7 | 0 | 108 | P70 E74 | P70-K72 PolarHBondContact O-N 2.94Å; K72-E74 PolarHBondContact O-N 2.86Å; K72-E74 VanDerWaalsContact O-N 3.1Å |
| 73 | P | 73.1 | Confident | 68.6 | Low | 125 Ų | 125 | 142.8 Ų | 142.8 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 123.1 | -179.3 | 19.6 | -29.5 | 0 | 0 | 0 | 108.7 | | |
| 74 | E | 71.9 | Confident | 68.6 | Low | 173 Ų | 173 | 141.2 Ų | 141.2 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 135 | 175.8 | -72.7 | -173.6 | 126.6 | 0 | 0 | 108.4 | K72 T76 | K72-E74 PolarHBondContact O-N 2.86Å; K72-E74 VanDerWaalsContact O-N 3.1Å; E74-T76 PolarHBondContact O-N 2.83Å |
| 75 | P | 68.7 | Low | 68.4 | Low | 122 Ų | 122 | 137 Ų | 137 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | | | trans | -62.3 | 100.9 | -174.3 | 23.3 | -31.4 | 0 | 0 | 0 | 108.6 | | |
| 76 | T | 71 | Confident | 68.2 | Low | 121 Ų | 121 | 140.8 Ų | 140.8 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | | | trans | -56.6 | 128.7 | 170.2 | 46.8 | 0 | 0 | 0 | 0 | 106.9 | E74 K78 | E74-T76 PolarHBondContact O-N 2.83Å; T76-K78 PolarHBondContact O-N 3.37Å |
| 77 | P | 69.3 | Low | 68 | Low | 120 Ų | 120 | 145.8 Ų | 145.8 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | trans | -54.1 | 109.9 | -179.6 | -24.9 | 32.5 | 0 | 0 | 0 | 108 | K79 | P77-K79 VanDerWaalsContact C-N 3.32Å; P77-K79 PolarHBondContact O-N 2.77Å |
| 78 | K | 67.2 | Low | 67.6 | Low | 202 Ų | 202 | 142.9 Ų | 142.9 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | | | trans | -55.1 | 107.2 | 168.2 | -69.6 | 175.7 | -179.2 | 173.5 | 0 | 104 | T76 A80 | T76-K78 PolarHBondContact O-N 3.37Å; K78-A80 PolarHBondContact O-N 2.8Å |
| 79 | K | 67.6 | Low | 67.2 | Low | 184 Ų | 184 | 142.6 Ų | 142.6 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | | | trans | -48.6 | 113.6 | 169.8 | -73.6 | -168.6 | 175.6 | -171.2 | 0 | 104.9 | P77 | P77-K79 VanDerWaalsContact C-N 3.32Å; P77-K79 PolarHBondContact O-N 2.77Å |
| 80 | A | 67 | Low | 66.8 | Low | 81 Ų | 81 | 148.6 Ų | 148.6 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | | | trans | -51.7 | 136.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | K78 E82 | K78-A80 PolarHBondContact O-N 2.8Å; A80-E82 PolarHBondContact O-N 2.66Å |
| 81 | P | 64.4 | Low | 66.1 | Low | 117 Ų | 117 | 146.3 Ų | 146.3 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | trans | -55.3 | 108 | -176 | 21.9 | -31.7 | 0 | 0 | 0 | 107.2 | K83 | P81-K83 PolarHBondContact O-N 3.05Š|
| 82 | E | 63.7 | Low | 65.6 | Low | 151 Ų | 151 | 152.3 Ų | 152.3 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | | | trans | -51.3 | 105 | 160.7 | -77.8 | 166.2 | 167 | 0 | 0 | 103.2 | A80 K84 | A80-E82 PolarHBondContact O-N 2.66Å; E82-K84 WeakPolarHBondContact O-CG 3.47Å; E82-K84 PolarHBondContact O-N 3.09Å |
| 83 | K | 62.5 | Low | 65.4 | Low | 204 Ų | 204 | 152.2 Ų | 152.2 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | | | trans | -57.9 | 93.5 | 175.6 | -77.1 | -176.7 | 175.6 | 177.7 | 0 | 105.2 | P81 G85 | P81-K83 PolarHBondContact O-N 3.05Å; K83-G85 PolarHBondContact O-N 3.15Å |
| 84 | K | 62.3 | Low | 64.8 | Low | 195 Ų | 195 | 149.6 Ų | 149.6 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | | | trans | -65 | 109.7 | 179.6 | -74.5 | -160.2 | 176.8 | -173.5 | 0 | 106.3 | E82 | E82-K84 WeakPolarHBondContact O-CG 3.47Å; E82-K84 PolarHBondContact O-N 3.09Å |
| 85 | G | 58 | Low | 64.6 | Low | 59 Ų | 59 | 150.3 Ų | 150.3 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | | | trans | 72.7 | 81.8 | 143.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | K83 K87 | K83-G85 PolarHBondContact O-N 3.15Å; G85-K87 PolarHBondContact O-N 3.32Å; G85-K87 VanDerWaalsContact O-N 3.15Å |
| 86 | E | 63.2 | Low | 64.3 | Low | 198 Ų | 198 | 148.7 Ų | 148.7 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | | | trans | -74.7 | 85.1 | 130.7 | -164.5 | 177.8 | 138.1 | 0 | 0 | 107.1 | V88 | E86-V88 PolarHBondContact O-N 3.2Š|
| 87 | K | 60.6 | Low | 64 | Low | 187 Ų | 187 | 150.3 Ų | 150.3 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | -62.9 | 109.5 | 162.5 | -91.4 | 178.3 | 165.7 | 177.9 | 0 | 106.7 | G85 | G85-K87 PolarHBondContact O-N 3.32Å; G85-K87 VanDerWaalsContact O-N 3.15Å |
| 88 | V | 63 | Low | 63.8 | Low | 124 Ų | 124 | 149 Ų | 149 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | | | | 176.7 | 95.4 | 120.3 | 166.8 | 0 | 0 | 0 | 0 | 108.3 | E86 | E86-V88 PolarHBondContact O-N 3.2Š|
| 89 | P | 64.5 | Low | 63.5 | Low | 114 Ų | 114 | 141.7 Ų | 141.7 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | | | trans | -97.9 | 147 | 157.4 | 31.5 | -25.1 | 0 | 0 | 0 | 110.9 | | |
| 90 | K | 64.5 | Low | 63.6 | Low | 214 Ų | 214 | 141.9 Ų | 141.9 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | | | trans | 79.7 | 72 | 173.1 | -68.4 | 173.6 | 173.3 | 171.6 | 0 | 116.1 | | |
| 91 | G | 59.7 | Low | 63.3 | Low | 66 Ų | 66 | 145.9 Ų | 145.9 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | | | trans | -148.6 | 13.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 92 | R | 62.6 | Low | 63.3 | Low | 248 Ų | 248 | 143.1 Ų | 143.1 | 94% | 0.936 | 77% | 0.772 | S | S | * | * | | | trans | -162.9 | 115 | 156.6 | -115.4 | 163.2 | 175.8 | -160.3 | -2.9 | 112.4 | G94 | R92-G94 PolarHBondContact O-N 2.79Š|
| 93 | K | 67.7 | Low | 63.3 | Low | 192 Ų | 192 | 143 Ų | 143 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | | | trans | -60.9 | 67.4 | 162.2 | -177 | -177.4 | 176.2 | -177.5 | 0 | 108.9 | K95 | K93-K95 HydrophobicContact CG-CG 4.43Å; K93-K95 PolarHBondContact O-N 2.92Å |
| 94 | G | 62 | Low | 63.5 | Low | 69 Ų | 69 | 140.1 Ų | 140.1 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | trans | -79.4 | 76.3 | 169 | 0 | 0 | 0 | 0 | 0 | 108.5 | R92 A96 | R92-G94 PolarHBondContact O-N 2.79Å; G94-A96 PolarHBondContact O-N 3.06Å |
| 95 | K | 66.4 | Low | 63.1 | Low | 188 Ų | 188 | 135.6 Ų | 135.6 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | | | trans | -72.5 | 72.3 | 163.3 | -71.8 | -150.5 | 178.6 | -168.6 | 0 | 108.1 | K93 N97 | K93-K95 HydrophobicContact CG-CG 4.43Å; K93-K95 PolarHBondContact O-N 2.92Å; K95-N97 VanDerWaalsContact C-N 3.35Å; K95-N97 PolarHBondContact O-N 3.07Å |
| 96 | A | 64 | Low | 63.5 | Low | 89 Ų | 89 | 136.5 Ų | 136.5 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | | | trans | -94.3 | 83.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | G94 A98 | G94-A96 PolarHBondContact O-N 3.06Å; A96-A98 PolarHBondContact O-N 3.49Å |
| 97 | N | 63.5 | Low | 63.7 | Low | 154 Ų | 154 | 135.9 Ų | 135.9 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | | | trans | -74 | 69.2 | 163.9 | -152.1 | -49.7 | 0 | 0 | 0 | 105.9 | K95 G99 | K95-N97 VanDerWaalsContact C-N 3.35Å; K95-N97 PolarHBondContact O-N 3.07Å; N97-G99 PolarHBondContact O-N 2.93Å |
| 98 | A | 65.9 | Low | 64 | Low | 93 Ų | 93 | 134.2 Ų | 134.2 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | -71.9 | 86.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 104.2 | A96 K100 | A96-A98 PolarHBondContact O-N 3.49Å; A98-K100 PolarHBondContact O-N 2.91Å |
| 99 | G | 60.3 | Low | 64.2 | Low | 49 Ų | 49 | 130.7 Ų | 130.7 | 51% | 0.505 | 75% | 0.749 | S | S | . | * | | | trans | -50.6 | 107.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | N97 D101 | N97-G99 PolarHBondContact O-N 2.93Å; G99-D101 VanDerWaalsContact C-N 3.29Å; G99-D101 PolarHBondContact O-N 2.78Å |
| 100 | K | 68.9 | Low | 64.1 | Low | 187 Ų | 187 | 132.6 Ų | 132.6 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | | | trans | 4.3 | 78.8 | 144.2 | -165.2 | 162.4 | -179.3 | -178.9 | 0 | 113 | A98 A102 | A98-K100 PolarHBondContact O-N 2.91Å; K100-A102 HydrophobicContact CD-CB 4.42Å; K100-A102 HydrophobicContact CG-CB 3.56Å; K100-A102 PolarHBondContact O-N 2.9Å |
| 101 | D | 62.1 | Low | 64.3 | Low | 165 Ų | 165 | 126.1 Ų | 126.1 | 88% | 0.882 | 74% | 0.739 | S | S | * | * | | | trans | -71.6 | 53.8 | 160.2 | -116 | -58 | 0 | 0 | 0 | 107.7 | G99 N103 | G99-D101 VanDerWaalsContact C-N 3.29Å; G99-D101 PolarHBondContact O-N 2.78Å; D101-N103 PolarHBondContact O-N 2.84Å |
| 102 | A | 62.9 | Low | 64.7 | Low | 60 Ų | 60 | 131.8 Ų | 131.8 | 50% | 0.496 | 75% | 0.745 | S | S | . | * | | | trans | -85.9 | 70.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | K100 N104 | K100-A102 HydrophobicContact CD-CB 4.42Å; K100-A102 HydrophobicContact CG-CB 3.56Å; K100-A102 PolarHBondContact O-N 2.9Å; A102-N104 PolarHBondContact O-N 3.05Å |
| 103 | N | 65.3 | Low | 65.1 | Low | 147 Ų | 147 | 132 Ų | 132 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | | | | 12.2 | 87.9 | 124.9 | -157.4 | -86.9 | 0 | 0 | 0 | 113.4 | D101 | D101-N103 PolarHBondContact O-N 2.84Š|
| 104 | N | 65.6 | Low | 65.1 | Low | 145 Ų | 145 | 130 Ų | 130 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | | | trans | -159.1 | 144.8 | 160.1 | -123.5 | -84.1 | 0 | 0 | 0 | 110.2 | A102 | A102-N104 PolarHBondContact O-N 3.05Š|
| 105 | P | 55 | Low | 65.2 | Low | 100 Ų | 100 | 135.6 Ų | 135.6 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | | | | -119 | 170.8 | -64.5 | 35.7 | -26.6 | 0 | 0 | 0 | 108.9 | E107 | P105-E107 PolarHBondContact O-N 2.79Š|
| 106 | A | 64.7 | Low | 65.1 | Low | 77 Ų | 77 | 130.4 Ų | 130.4 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | | | trans | -35.3 | 104.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N108 | A106-N108 PolarHBondContact O-N 2.89Š|
| 107 | E | 69.2 | Low | 65.4 | Low | 186 Ų | 186 | 135.6 Ų | 135.6 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | | | trans | -62.6 | 86 | 156.5 | -172.1 | -172.3 | 127.3 | 0 | 0 | 105.2 | P105 G109 | P105-E107 PolarHBondContact O-N 2.79Å; E107-G109 PolarHBondContact O-N 2.79Å |
| 108 | N | 66.2 | Low | 65.6 | Low | 151 Ų | 151 | 137.1 Ų | 137.1 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | | | trans | -69.6 | 68.1 | 166.1 | -72.7 | -50.5 | 0 | 0 | 0 | 107.2 | A106 D110 | A106-N108 PolarHBondContact O-N 2.89Å; N108-D110 PolarHBondContact O-N 2.83Å |
| 109 | G | 66.5 | Low | 65.5 | Low | 51 Ų | 51 | 141 Ų | 141 | 53% | 0.526 | 79% | 0.785 | S | S | . | * | | | trans | -86.5 | 48.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | E107 A111 | E107-G109 PolarHBondContact O-N 2.79Å; G109-A111 PolarHBondContact O-N 3.31Å |
| 110 | D | 62.9 | Low | 65.7 | Low | 153 Ų | 153 | 145.7 Ų | 145.7 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -72.8 | 55.6 | 162.4 | -169.6 | 64.7 | 0 | 0 | 0 | 108.7 | N108 K112 | N108-D110 PolarHBondContact O-N 2.83Å; D110-K112 PolarHBondContact O-N 3.3Å |
| 111 | A | 68.2 | Low | 65.6 | Low | 78 Ų | 78 | 143.5 Ų | 143.5 | 65% | 0.645 | 80% | 0.798 | S | S | * | * | | | trans | -92 | 80.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | G109 R113 | G109-A111 PolarHBondContact O-N 3.31Å; A111-R113 PolarHBondContact O-N 3.29Å |
| 112 | K | 69.6 | Low | 65.8 | Low | 186 Ų | 186 | 142.3 Ų | 142.3 | 81% | 0.809 | 79% | 0.794 | S | S | * | * | | | trans | 32.7 | 84.4 | 144.8 | -63.9 | -69.1 | -155.6 | 177.6 | 0 | 114.5 | D110 | D110-K112 PolarHBondContact O-N 3.3Š|
| 113 | R | 70.6 | Confident | 65.9 | Low | 252 Ų | 252 | 147.1 Ų | 147.1 | 95% | 0.951 | 81% | 0.811 | S | S | * | * | | | trans | -112.5 | 61.9 | 152.6 | -66.7 | -154.9 | -178.2 | 105.7 | 0.8 | 109.9 | A111 | A111-R113 PolarHBondContact O-N 3.29Š|
| 114 | D | 66.9 | Low | 66 | Low | 150 Ų | 150 | 147.1 Ų | 147.1 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | | | trans | -104.6 | 80.1 | 158 | -176.2 | 48.1 | 0 | 0 | 0 | 107 | | |
| 115 | Q | 65.5 | Low | 66 | Low | 186 Ų | 186 | 147.3 Ų | 147.3 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | | | trans | -146.1 | 88 | 161.3 | -129.8 | -176.4 | 43.2 | 0 | 0 | 109 | | |
| 116 | A | 62.7 | Low | 66.8 | Low | 80 Ų | 80 | 150.6 Ų | 150.6 | 66% | 0.661 | 83% | 0.827 | S | S | * | * | | | trans | 48.9 | 84.6 | 132.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 117 | Q | 70.6 | Confident | 66.9 | Low | 197 Ų | 197 | 156.3 Ų | 156.3 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | | | trans | -97.2 | 91.7 | 139.4 | -164.6 | 175.2 | -32.5 | 0 | 0 | 106.8 | | |
| 118 | K | 68.2 | Low | 66.7 | Low | 186 Ų | 186 | 153.8 Ų | 153.8 | 81% | 0.809 | 84% | 0.839 | S | S | * | * | | | trans | -64.3 | 149.2 | 165.6 | -70.8 | -118.7 | -173.5 | 178.6 | 0 | 108.8 | | |
| 119 | A | 63.2 | Low | 66.8 | Low | 176 Ų | 176 | 154.1 Ų | 154.1 | 100% | 1.455 | 84% | 0.842 | S | S | * | * | | | trans | -51.1 | 0 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |