| 1 | M | 49.4 | Very low | 64.5 | Low | 252 Ų | 252 | 149.7 Ų | 149.7 | 100% | 1.241 | 81% | 0.806 | S | S | * | * | | | | 0 | 131 | 0 | -71.3 | 178.5 | 173.1 | 0 | 0 | 107.9 | | |
| 2 | G | 58.2 | Low | 64.6 | Low | 72 Ų | 72 | 146.8 Ų | 146.8 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | trans | -86 | 178.7 | -153.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 3 | P | 62.4 | Low | 64.6 | Low | 122 Ų | 122 | 151.4 Ų | 151.4 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | | | trans | -77.8 | 122 | -165 | 29.6 | -33.9 | 0 | 0 | 0 | 113 | R5 | P3-R5 PolarHBondContact O-N 3.1Å; P3-R5 VanDerWaalsContact O-N 3.1Å |
| 4 | S | 68.9 | Low | 64.2 | Low | 108 Ų | 108 | 145.1 Ų | 145.1 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | | | trans | -75.2 | 93.1 | 172.6 | 53.7 | 0 | 0 | 0 | 0 | 110.5 | L6 | S4-L6 PolarHBondContact O-N 2.88Å; S4-L6 VanDerWaalsContact O-N 3.17Å |
| 5 | R | 67.6 | Low | 63.9 | Low | 228 Ų | 228 | 147.3 Ų | 147.3 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | -69.7 | 106.8 | 166.6 | -71.5 | -177.6 | 178.7 | -173.8 | -0.1 | 108.2 | P3 V7 | P3-R5 PolarHBondContact O-N 3.1Å; P3-R5 VanDerWaalsContact O-N 3.1Å; R5-V7 VanDerWaalsContact C-N 3.29Å; R5-V7 PolarHBondContact O-N 3.17Å |
| 6 | L | 67.9 | Low | 63.6 | Low | 166 Ų | 166 | 151 Ų | 151 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | | | trans | -67.6 | 89.5 | 172.3 | -67.2 | 172 | 0 | 0 | 0 | 108.8 | S4 R8 | S4-L6 PolarHBondContact O-N 2.88Å; S4-L6 VanDerWaalsContact O-N 3.17Å; L6-R8 PolarHBondContact O-N 3.09Å; L6-R8 VanDerWaalsContact O-N 3.09Å |
| 7 | V | 65.2 | Low | 63.6 | Low | 133 Ų | 133 | 146.3 Ų | 146.3 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | | | trans | -63.5 | 108.6 | 169.9 | 174.7 | 0 | 0 | 0 | 0 | 107.1 | R5 G9 | R5-V7 VanDerWaalsContact C-N 3.29Å; R5-V7 PolarHBondContact O-N 3.17Å; V7-G9 VanDerWaalsContact C-N 3.31Å; V7-G9 PolarHBondContact O-N 2.9Å |
| 8 | R | 64.7 | Low | 63.7 | Low | 203 Ų | 203 | 144.8 Ų | 144.8 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | trans | -71.7 | 88.8 | 178.5 | -150.1 | -174.8 | -160.3 | -127.6 | 16 | 108.3 | L6 | L6-R8 PolarHBondContact O-N 3.09Å; L6-R8 VanDerWaalsContact O-N 3.09Å |
| 9 | G | 71.7 | Confident | 63.4 | Low | 45 Ų | 45 | 147.5 Ų | 147.5 | 46% | 0.464 | 79% | 0.786 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 152.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V7 R11 | V7-G9 VanDerWaalsContact C-N 3.31Å; V7-G9 PolarHBondContact O-N 2.9Å; G9-R11 PolarHBondContact O-N 3.31Å |
| 10 | P | 66.6 | Low | 63.2 | Low | 136 Ų | 136 | 149.5 Ų | 149.5 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 128 | 178.2 | 22.8 | -30.8 | 0 | 0 | 0 | 110.4 | | |
| 11 | R | 66.9 | Low | 63.3 | Low | 182 Ų | 182 | 153.1 Ų | 153.1 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 138.4 | -174.2 | -67.5 | 178.6 | 174.6 | 179.9 | -8.4 | 110.5 | G9 Q13 | G9-R11 PolarHBondContact O-N 3.31Å; R11-Q13 PolarHBondContact O-N 2.98Å |
| 12 | P | 65.9 | Low | 63.9 | Low | 115 Ų | 115 | 147 Ų | 147 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | | | trans | -67.1 | 105 | -178.1 | 26.1 | -32.8 | 0 | 0 | 0 | 110.8 | G14 | P12-G14 PolarHBondContact O-N 2.96Š|
| 13 | Q | 64.4 | Low | 64 | Low | 206 Ų | 206 | 147 Ų | 147 | 96% | 0.963 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 61.8 | 172.8 | -166.4 | 176.8 | 12 | 0 | 0 | 109.5 | R11 | R11-Q13 PolarHBondContact O-N 2.98Š|
| 14 | G | 59.1 | Low | 63.9 | Low | 63 Ų | 63 | 150.7 Ų | 150.7 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.8 | -10.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | P12 R16 | P12-G14 PolarHBondContact O-N 2.96Å; G14-R16 VanDerWaalsContact C-N 3.28Å; G14-R16 PolarHBondContact O-N 2.76Å; G14-R16 VanDerWaalsContact O-N 3.07Å |
| 15 | M | 60.3 | Low | 63.4 | Low | 179 Ų | 179 | 148.1 Ų | 148.1 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | | | trans | -90.8 | 63.4 | -178.8 | -59.7 | -177 | 78.5 | 0 | 0 | 110.6 | S17 | M15-S17 PolarHBondContact O-N 3.47Š|
| 16 | R | 57.9 | Low | 63.2 | Low | 206 Ų | 206 | 148.5 Ų | 148.5 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | | | trans | -66.4 | 101.7 | 163.8 | -89.7 | -170.4 | 174.1 | -160.6 | 3.3 | 107.4 | G14 | G14-R16 VanDerWaalsContact C-N 3.28Å; G14-R16 PolarHBondContact O-N 2.76Å; G14-R16 VanDerWaalsContact O-N 3.07Å |
| 17 | S | 63.8 | Low | 63 | Low | 71 Ų | 71 | 146.2 Ų | 146.2 | 50% | 0.497 | 76% | 0.76 | S | S | . | * | | | trans | -45.8 | 128.6 | 176.4 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | M15 Y19 R20 | M15-S17 PolarHBondContact O-N 3.47Å; S17-Y19 PolarHBondContact O-N 3.33Å; S17-Y19 PolarHBondContact OG-N 2.98Å; S17-R20 PolarHBondContact O-N 3.01Å |
| 18 | P | 66 | Low | 62.9 | Low | 120 Ų | 120 | 150.7 Ų | 150.7 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -6.2 | 179.8 | 27.1 | -33.6 | 0 | 0 | 0 | 112.8 | R20 | P18-R20 VanDerWaalsContact C-N 3.29Å; P18-R20 PolarHBondContact O-N 3.42Å |
| 19 | Y | 58.3 | Low | 62.8 | Low | 195 Ų | 195 | 146.2 Ų | 146.2 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 19 | 177.5 | -56.3 | -70.7 | 0 | 0 | 0 | 114.1 | S17 R21 | S17-Y19 PolarHBondContact O-N 3.33Å; S17-Y19 PolarHBondContact OG-N 2.98Å; Y19-R21 PolarHBondContact O-N 3.07Å |
| 20 | R | 58.6 | Low | 62.6 | Low | 187 Ų | 187 | 154.6 Ų | 154.6 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -69.4 | 81.2 | 169.6 | -160.4 | -179 | -160.8 | -164.1 | 4 | 109.2 | S17 P18 | S17-R20 PolarHBondContact O-N 3.01Å; P18-R20 VanDerWaalsContact C-N 3.29Å; P18-R20 PolarHBondContact O-N 3.42Å |
| 21 | R | 65.7 | Low | 62.4 | Low | 227 Ų | 227 | 155.9 Ų | 155.9 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | | | trans | -54.5 | 124.6 | 169.5 | -79.2 | -174 | 176.2 | -174 | -0.5 | 107.9 | Y19 G23 | Y19-R21 PolarHBondContact O-N 3.07Å; R21-G23 PolarHBondContact O-N 3.32Å |
| 22 | P | 62.1 | Low | 62.1 | Low | 122 Ų | 122 | 152 Ų | 152 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | trans | -54 | 139.7 | 174.7 | -21.4 | 31.4 | 0 | 0 | 0 | 109.1 | M24 | P22-M24 PolarHBondContact O-N 3.46Š|
| 23 | G | 60.2 | Low | 61.8 | Low | 72 Ų | 72 | 157.1 Ų | 157.1 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | | | trans | -41.6 | 130.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R21 G25 | R21-G23 PolarHBondContact O-N 3.32Å; G23-G25 PolarHBondContact O-N 2.94Å |
| 24 | M | 59.4 | Low | 61.8 | Low | 200 Ų | 200 | 154 Ų | 154 | 99% | 0.985 | 76% | 0.759 | S | S | * | * | | | trans | -42.4 | 101.5 | -179.4 | -107.1 | 138.1 | 172.9 | 0 | 0 | 109.9 | P22 W26 | P22-M24 PolarHBondContact O-N 3.46Å; M24-W26 PolarHBondContact O-N 3.44Å |
| 25 | G | 59 | Low | 61.8 | Low | 54 Ų | 54 | 158.9 Ų | 158.9 | 56% | 0.557 | 76% | 0.763 | S | S | * | * | | | trans | -68.2 | 129.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | G23 | G23-G25 PolarHBondContact O-N 2.94Š|
| 26 | W | 63 | Low | 61.9 | Low | 236 Ų | 236 | 158.7 Ų | 158.7 | 89% | 0.894 | 76% | 0.757 | S | S | * | * | | | trans | 74 | 119.8 | 148.6 | -56.8 | 99.6 | 0 | 0 | 0 | 116.7 | M24 R28 | M24-W26 PolarHBondContact O-N 3.44Å; W26-R28 PolarHBondContact O-N 2.86Å |
| 27 | P | 63.6 | Low | 62.1 | Low | 119 Ų | 119 | 153.7 Ų | 153.7 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | trans | -61.5 | 106.2 | 168.8 | 25.4 | -30 | 0 | 0 | 0 | 107.6 | P29 | P27-P29 WeakPolarHBondContact O-CD 3.12Å; P27-P29 VanDerWaalsContact O-N 3.1Å |
| 28 | R | 62.9 | Low | 61.9 | Low | 227 Ų | 227 | 154.5 Ų | 154.5 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | | | trans | -58.4 | 112.6 | 169.5 | -144.9 | 178.8 | -168.8 | -168.7 | 2.7 | 106 | W26 R30 | W26-R28 PolarHBondContact O-N 2.86Å; R28-R30 PolarHBondContact O-N 2.87Å |
| 29 | P | 63.6 | Low | 61.8 | Low | 109 Ų | 109 | 160.3 Ų | 160.3 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | | | trans | -61.5 | 108.7 | 174.6 | -17.6 | 31.7 | 0 | 0 | 0 | 105.9 | P27 F31 | P27-P29 WeakPolarHBondContact O-CD 3.12Å; P27-P29 VanDerWaalsContact O-N 3.1Å; P29-F31 PolarHBondContact O-N 2.77Å |
| 30 | R | 67.7 | Low | 62.2 | Low | 221 Ų | 221 | 159.8 Ų | 159.8 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -61.8 | -10.2 | -174.1 | -78.6 | -174.5 | 176.7 | 177.5 | -1.1 | 113 | R28 | R28-R30 PolarHBondContact O-N 2.87Š|
| 31 | F | 62.9 | Low | 62.4 | Low | 162 Ų | 162 | 161.3 Ų | 161.3 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -134.7 | 125.7 | 177 | -57.1 | -76.1 | 0 | 0 | 0 | 107.9 | P29 R33 | P29-F31 PolarHBondContact O-N 2.77Å; F31-R33 VanDerWaalsContact C-N 3.33Å; F31-R33 PolarHBondContact O-N 2.89Å |
| 32 | P | 60.6 | Low | 62 | Low | 100 Ų | 100 | 159.4 Ų | 159.4 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | | | trans | -58 | 112.1 | 159.4 | 26.2 | -29.4 | 0 | 0 | 0 | 103.9 | M34 | P32-M34 HydrophobicContact CB-CG 4.27Å; P32-M34 HydrophobicContact CG-CE 4.33Å; P32-M34 HydrophobicContact CG-CG 4.44Å; P32-M34 PolarHBondContact O-N 2.64Å |
| 33 | R | 59.6 | Low | 61.8 | Low | 224 Ų | 224 | 161.9 Ų | 161.9 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | | | trans | -67.9 | 77.1 | 172.1 | -145.9 | 178.6 | -166.9 | 178.8 | 2.6 | 104.6 | F31 F35 | F31-R33 VanDerWaalsContact C-N 3.33Å; F31-R33 PolarHBondContact O-N 2.89Å; R33-F35 PolarHBondContact O-N 2.75Å |
| 34 | M | 62.5 | Low | 61.7 | Low | 140 Ų | 140 | 166.3 Ų | 166.3 | 69% | 0.69 | 76% | 0.764 | S | S | * | * | | | trans | -68.8 | 64 | 162.4 | -68.9 | -170.5 | -78.7 | 0 | 0 | 105.3 | P32 K36 | P32-M34 HydrophobicContact CB-CG 4.27Å; P32-M34 HydrophobicContact CG-CE 4.33Å; P32-M34 HydrophobicContact CG-CG 4.44Å; P32-M34 PolarHBondContact O-N 2.64Å; M34-K36 PolarHBondContact O-N 2.75Å |
| 35 | F | 60.5 | Low | 61.4 | Low | 166 Ų | 166 | 160.2 Ų | 160.2 | 73% | 0.728 | 75% | 0.752 | S | S | * | * | | | trans | -65.3 | 78.7 | 156 | -137.6 | -99.1 | 0 | 0 | 0 | 103.1 | R33 C37 | R33-F35 PolarHBondContact O-N 2.75Å; F35-C37 PolarHBondContact O-N 2.71Å |
| 36 | K | 63 | Low | 61.1 | Low | 174 Ų | 174 | 164.5 Ų | 164.5 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | | | trans | -59 | 97.8 | 167.6 | -79 | 179.5 | 176.6 | 178.6 | 0 | 103 | M34 S38 | M34-K36 PolarHBondContact O-N 2.75Å; K36-S38 PolarHBondContact O-N 2.79Å |
| 37 | C | 61.1 | Low | 60.6 | Low | 102 Ų | 102 | 162.6 Ų | 162.6 | 69% | 0.689 | 75% | 0.754 | S | S | * | * | | | trans | -51.3 | 96 | 172.8 | -60.5 | 0 | 0 | 0 | 0 | 106.1 | F35 R39 | F35-C37 PolarHBondContact O-N 2.71Å; C37-R39 VanDerWaalsContact C-N 3.27Å; C37-R39 PolarHBondContact O-N 2.81Å |
| 38 | S | 60.4 | Low | 59.9 | Low | 88 Ų | 88 | 161.1 Ų | 161.1 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | | | trans | -67.4 | 95.9 | -177.2 | -178.3 | 0 | 0 | 0 | 0 | 105.4 | K36 R40 | K36-S38 PolarHBondContact O-N 2.79Å; S38-R40 PolarHBondContact O-N 2.82Å; S38-R40 WeakPolarHBondContact OG-CG 3.41Å |
| 39 | R | 63.4 | Low | 59.1 | Low | 241 Ų | 241 | 161.1 Ų | 161.1 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | | | trans | -72.4 | 42.9 | 174.3 | -72.9 | -175 | -92.9 | 176.5 | -7.6 | 110.2 | C37 R41 | C37-R39 VanDerWaalsContact C-N 3.27Å; C37-R39 PolarHBondContact O-N 2.81Å; R39-R41 PolarHBondContact O-N 2.87Å |
| 40 | R | 66.2 | Low | 58.4 | Low | 184 Ų | 184 | 161.1 Ų | 161.1 | 69% | 0.694 | 76% | 0.759 | S | S | * | * | | | trans | -69.8 | 88.9 | 168.8 | -79.3 | -174.3 | 174.4 | -156.9 | -2.1 | 107.1 | S38 Y42 | S38-R40 PolarHBondContact O-N 2.82Å; S38-R40 WeakPolarHBondContact OG-CG 3.41Å; R40-Y42 VanDerWaalsContact C-N 3.33Å; R40-Y42 PolarHBondContact O-N 2.81Å |
| 41 | R | 62.5 | Low | 57.4 | Low | 219 Ų | 219 | 155.4 Ų | 155.4 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | | | trans | -60.9 | 103.2 | 154.5 | -90.3 | -178.4 | -179.4 | 169.5 | 0.5 | 105.8 | R39 Q43 | R39-R41 PolarHBondContact O-N 2.87Å; R41-Q43 HydrophobicContact CB-CG 4.2Å; R41-Q43 PolarHBondContact O-N 3.05Å |
| 42 | Y | 57.4 | Low | 56.6 | Low | 187 Ų | 187 | 153.6 Ų | 153.6 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | | | trans | -65 | 83.5 | 160.9 | -70.1 | -81.1 | 0 | 0 | 0 | 107.3 | R40 Q44 | R40-Y42 VanDerWaalsContact C-N 3.33Å; R40-Y42 PolarHBondContact O-N 2.81Å; Y42-Q44 PolarHBondContact O-N 3.09Å; Y42-Q44 VanDerWaalsContact O-N 3.09Å |
| 43 | Q | 59.1 | Low | 56 | Low | 175 Ų | 175 | 153.2 Ų | 153.2 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -80.6 | 65.6 | 161.8 | -69.2 | -103.6 | -53.5 | 0 | 0 | 106.5 | R41 | R41-Q43 HydrophobicContact CB-CG 4.2Å; R41-Q43 PolarHBondContact O-N 3.05Å |
| 44 | Q | 56.5 | Low | 55.5 | Low | 165 Ų | 165 | 147.7 Ų | 147.7 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | | | trans | -112.2 | 83.2 | 173.4 | -162.2 | 167.6 | 8.8 | 0 | 0 | 108.2 | Y42 | Y42-Q44 PolarHBondContact O-N 3.09Å; Y42-Q44 VanDerWaalsContact O-N 3.09Å |
| 45 | G | 52.8 | Low | 54.9 | Low | 72 Ų | 72 | 145.3 Ų | 145.3 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | -150 | 52.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | R47 | G45-R47 PolarHBondContact O-N 3.11Å; G45-R47 VanDerWaalsContact O-N 3.07Å |
| 46 | L | 53.8 | Low | 54.4 | Low | 143 Ų | 143 | 142.9 Ų | 142.9 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | trans | -49.9 | 113.4 | 171.3 | -99.6 | 137.5 | 0 | 0 | 0 | 108.8 | G48 | L46-G48 PolarHBondContact O-N 3.07Å; L46-G48 VanDerWaalsContact O-N 3.11Å |
| 47 | R | 52.6 | Low | 54.1 | Low | 197 Ų | 197 | 140.2 Ų | 140.2 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | trans | 51.6 | 51.8 | 137.2 | -72.3 | 176.2 | 148.4 | -110.5 | 2.3 | 115.5 | G45 R49 | G45-R47 PolarHBondContact O-N 3.11Å; G45-R47 VanDerWaalsContact O-N 3.07Å; R47-R49 PolarHBondContact O-N 3.17Å |
| 48 | G | 47.9 | Very low | 53.8 | Low | 87 Ų | 87 | 140.4 Ų | 140.4 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -69 | 22.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L46 | L46-G48 PolarHBondContact O-N 3.07Å; L46-G48 VanDerWaalsContact O-N 3.11Å |
| 49 | R | 46.6 | Very low | 53.7 | Low | 228 Ų | 228 | 140.1 Ų | 140.1 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | trans | -153.2 | 73.2 | -173.7 | -166.4 | 173.6 | 172 | 179.1 | -2.8 | 112.2 | R47 | R47-R49 PolarHBondContact O-N 3.17Š|
| 50 | T | 49.2 | Very low | 53.4 | Low | 109 Ų | 109 | 133.7 Ų | 133.7 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | | | trans | -162.4 | 53.3 | 144.5 | 19.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 51 | A | 46.5 | Very low | 53 | Low | 100 Ų | 100 | 134.2 Ų | 134.2 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -76.5 | 131.8 | 149.2 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 52 | S | 47.1 | Very low | 52.7 | Low | 124 Ų | 124 | 127.1 Ų | 127.1 | 87% | 0.867 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 79.1 | 79.3 | 171.5 | -148.8 | 0 | 0 | 0 | 0 | 117 | | |
| 53 | S | 46.3 | Very low | 52.6 | Low | 93 Ų | 93 | 125.4 Ų | 125.4 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | | | trans | -161.1 | 62.9 | 145.3 | -156.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 54 | A | 50.3 | Low | 52.2 | Low | 107 Ų | 107 | 119.8 Ų | 119.8 | 88% | 0.884 | 73% | 0.728 | S | S | * | * | | | trans | -114 | 59.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 55 | A | 49.3 | Very low | 52.3 | Low | 91 Ų | 91 | 118.6 Ų | 118.6 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | | | trans | -158.3 | 56.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | N57 | A55-N57 PolarHBondContact O-N 3.38Š|
| 56 | I | 50 | Low | 52.2 | Low | 114 Ų | 114 | 121.8 Ų | 121.8 | 59% | 0.585 | 73% | 0.726 | S | S | * | * | | | trans | -72.3 | 100.2 | 172.8 | -63.7 | 172.4 | 0 | 0 | 0 | 106.4 | | |
| 57 | N | 56.2 | Low | 51.9 | Low | 119 Ų | 119 | 120.8 Ų | 120.8 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | | | trans | -54.9 | 126.1 | 174.7 | -112.5 | -33.7 | 0 | 0 | 0 | 109.8 | A55 A59 T60 | A55-N57 PolarHBondContact O-N 3.38Å; N57-A59 PolarHBondContact O-N 3.29Å; N57-A59 VanDerWaalsContact O-N 3.12Å; N57-T60 PolarHBondContact O-N 3.17Å |
| 58 | P | 56.4 | Low | 51.8 | Low | 106 Ų | 106 | 116.8 Ų | 116.8 | 69% | 0.688 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -21.7 | -176.5 | 22.4 | -32 | 0 | 0 | 0 | 113.4 | T60 R61 | P58-T60 PolarHBondContact O-N 2.98Å; P58-R61 PolarHBondContact O-N 3.01Å |
| 59 | A | 58 | Low | 51.9 | Low | 81 Ų | 81 | 120.4 Ų | 120.4 | 67% | 0.669 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -60.1 | -28.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N57 | N57-A59 PolarHBondContact O-N 3.29Å; N57-A59 VanDerWaalsContact O-N 3.12Å |
| 60 | T | 57.3 | Low | 52.2 | Low | 107 Ų | 107 | 114.3 Ų | 114.3 | 66% | 0.656 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -79.5 | -24.6 | -179 | -46.8 | 0 | 0 | 0 | 0 | 113 | N57 P58 A62 | N57-T60 PolarHBondContact O-N 3.17Å; P58-T60 PolarHBondContact O-N 2.98Å; T60-A62 PolarHBondContact O-N 3.48Å |
| 61 | R | 56.5 | Low | 52.4 | Low | 195 Ų | 195 | 114.8 Ų | 114.8 | 74% | 0.736 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -69.9 | -32 | 178.5 | -81.1 | -165 | -179 | -174.6 | 2.2 | 112.9 | P58 M63 G64 | P58-R61 PolarHBondContact O-N 3.01Å; R61-M63 VanDerWaalsContact C-N 3.3Å; R61-M63 PolarHBondContact O-N 3.09Å; R61-G64 PolarHBondContact O-N 2.93Å |
| 62 | A | 56.9 | Low | 52.8 | Low | 69 Ų | 69 | 114.8 Ų | 114.8 | 57% | 0.57 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -68.6 | -29.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T60 G64 | T60-A62 PolarHBondContact O-N 3.48Å; A62-G64 VanDerWaalsContact C-N 3.34Å; A62-G64 PolarHBondContact O-N 3.46Å |
| 63 | M | 55.2 | Low | 53.5 | Low | 151 Ų | 151 | 114.7 Ų | 114.7 | 74% | 0.744 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -82.5 | -12.2 | -176.9 | -152.3 | 151.1 | 76.8 | 0 | 0 | 113.6 | R61 | R61-M63 VanDerWaalsContact C-N 3.3Å; R61-M63 PolarHBondContact O-N 3.09Å |
| 64 | G | 50.6 | Low | 54.4 | Low | 58 Ų | 58 | 115 Ų | 115 | 60% | 0.598 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -8.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | R61 A62 | R61-G64 PolarHBondContact O-N 2.93Å; A62-G64 VanDerWaalsContact C-N 3.34Å; A62-G64 PolarHBondContact O-N 3.46Å |
| 65 | I | 58.7 | Low | 55.3 | Low | 140 Ų | 140 | 115.1 Ų | 115.1 | 72% | 0.718 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -82.2 | -21.3 | -174.7 | -35.5 | 179.7 | 0 | 0 | 0 | 111.8 | | |
| 66 | N | 51.5 | Low | 56.5 | Low | 138 Ų | 138 | 119.4 Ų | 119.4 | 74% | 0.738 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -108.9 | 8.1 | -169.1 | -63.5 | -19.6 | 0 | 0 | 0 | 114.5 | | |
| 67 | N | 46.6 | Very low | 57.7 | Low | 122 Ų | 122 | 121.3 Ų | 121.3 | 65% | 0.652 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -109.8 | 113.3 | -179.9 | -73.4 | -0.1 | 0 | 0 | 0 | 110.3 | | |
| 68 | T | 49.8 | Very low | 58.7 | Low | 113 Ų | 113 | 120.2 Ų | 120.2 | 69% | 0.693 | 66% | 0.662 | S | S | * | * | | | trans | 70.6 | 84.9 | 162.9 | 24.9 | 0 | 0 | 0 | 0 | 114.7 | T70 | T68-T70 PolarHBondContact O-N 3.36Å; T68-T70 PolarHBondContact O-OG1 2.96Å |
| 69 | H | 51.7 | Low | 59.7 | Low | 163 Ų | 163 | 118.4 Ų | 118.4 | 76% | 0.755 | 65% | 0.651 | S | S | * | * | | | trans | -42.9 | 70 | 133.6 | -175.5 | 60.5 | 0 | 0 | 0 | 109.9 | D71 | H69-D71 VanDerWaalsContact C-N 3.31Å; H69-D71 IonicContact CD2-OD2 3.75Å; H69-D71 IonicContact CE1-OD1 3.05Å; H69-D71 PolarHBondContact CE1-OD1 3.09Å; H69-D71 IonicContact CE1-OD2 3.79Å; H69-D71 IonicContact ND1-OD1 3.58Å; H69-D71 IonicContact NE2-OD1 3.45Å; H69-D71 PolarHBondContact NE2-OD1 3.31Å; H69-D71 IonicContact NE2-OD2 3.32Å; H69-D71 PolarHBondContact NE2-OD2 3.07Å; H69-D71 PolarHBondContact O-N 3.41Å |
| 70 | T | 51.8 | Low | 60.4 | Low | 101 Ų | 101 | 119 Ų | 119 | 62% | 0.62 | 65% | 0.648 | S | S | * | * | | | trans | -84.3 | 92.3 | 167.9 | -6.7 | 0 | 0 | 0 | 0 | 103.2 | T68 T72 | T68-T70 PolarHBondContact O-N 3.36Å; T68-T70 PolarHBondContact O-OG1 2.96Å; T70-T72 PolarHBondContact O-N 3.3Å; T70-T72 PolarHBondContact O-OG1 2.91Å |
| 71 | D | 54.6 | Low | 61.3 | Low | 118 Ų | 118 | 121 Ų | 121 | 63% | 0.631 | 65% | 0.649 | S | S | * | * | | | trans | -54.5 | 71.7 | 165.7 | -78.2 | -34.6 | 0 | 0 | 0 | 109 | H69 T73 | H69-D71 VanDerWaalsContact C-N 3.31Å; H69-D71 IonicContact CD2-OD2 3.75Å; H69-D71 IonicContact CE1-OD1 3.05Å; H69-D71 PolarHBondContact CE1-OD1 3.09Å; H69-D71 IonicContact CE1-OD2 3.79Å; H69-D71 IonicContact ND1-OD1 3.58Å; H69-D71 IonicContact NE2-OD1 3.45Å; H69-D71 PolarHBondContact NE2-OD1 3.31Å; H69-D71 IonicContact NE2-OD2 3.32Å; H69-D71 PolarHBondContact NE2-OD2 3.07Å; H69-D71 PolarHBondContact O-N 3.41Å; D71-T73 VanDerWaalsContact C-N 3.26Å; D71-T73 PolarHBondContact O-N 3.02Å |
| 72 | T | 53.6 | Low | 61.8 | Low | 100 Ų | 100 | 114.6 Ų | 114.6 | 61% | 0.613 | 63% | 0.632 | S | S | * | * | | | trans | -82.5 | 91.3 | 173.4 | -39.3 | 0 | 0 | 0 | 0 | 102.1 | T70 I74 | T70-T72 PolarHBondContact O-N 3.3Å; T70-T72 PolarHBondContact O-OG1 2.91Å; T72-I74 HydrophobicContact CG2-CG1 4.21Å; T72-I74 WeakPolarHBondContact O-CG1 3.47Å; T72-I74 PolarHBondContact O-N 3.48Å |
| 73 | T | 63.3 | Low | 62.4 | Low | 122 Ų | 122 | 115.5 Ų | 115.5 | 75% | 0.748 | 63% | 0.627 | S | S | * | * | | | trans | -63.4 | 84.9 | 173.1 | -52.1 | 0 | 0 | 0 | 0 | 107.4 | D71 V75 | D71-T73 VanDerWaalsContact C-N 3.26Å; D71-T73 PolarHBondContact O-N 3.02Å; T73-V75 HydrophobicContact CG2-CG2 4.37Å; T73-V75 PolarHBondContact O-N 3.03Å |
| 74 | I | 64.1 | Low | 63 | Low | 99 Ų | 99 | 117.5 Ų | 117.5 | 51% | 0.508 | 63% | 0.626 | S | S | . | * | | | trans | -74.5 | 98.6 | 178.4 | -60 | 165.4 | 0 | 0 | 0 | 106.1 | T72 W76 | T72-I74 HydrophobicContact CG2-CG1 4.21Å; T72-I74 WeakPolarHBondContact O-CG1 3.47Å; T72-I74 PolarHBondContact O-N 3.48Å; I74-W76 HydrophobicContact CD1-CZ2 4.47Å; I74-W76 HydrophobicContact CG2-CD2 3.82Å; I74-W76 VanDerWaalsContact CG2-CE2 3.42Å; I74-W76 HydrophobicContact CG2-CE3 4.38Å; I74-W76 HydrophobicContact CG2-CG 4.21Å; I74-W76 HydrophobicContact CG2-CH2 4.27Å; I74-W76 HydrophobicContact CG2-CZ2 3.68Å; I74-W76 VanDerWaalsContact O-CD1 3.26Å; I74-W76 PolarHBondContact O-N 3.22Å; I74-W76 VanDerWaalsContact O-N 3.14Å |
| 75 | V | 68.2 | Low | 63.7 | Low | 111 Ų | 111 | 120.1 Ų | 120.1 | 67% | 0.673 | 62% | 0.622 | S | S | * | * | | | trans | -75.4 | 100.7 | 172.1 | -178 | 0 | 0 | 0 | 0 | 107.7 | T73 I77 | T73-V75 HydrophobicContact CG2-CG2 4.37Å; T73-V75 PolarHBondContact O-N 3.03Å; V75-I77 HydrophobicContact CG1-CG1 4.18Å; V75-I77 PolarHBondContact O-N 2.95Å; V75-I77 VanDerWaalsContact O-N 3.16Å |
| 76 | W | 75.2 | Confident | 64 | Low | 180 Ų | 180 | 118.4 Ų | 118.4 | 68% | 0.682 | 61% | 0.614 | S | S | * | * | | | trans | -76.4 | 99.8 | 176.5 | -62.7 | 97.8 | 0 | 0 | 0 | 110.4 | I74 F78 | I74-W76 HydrophobicContact CD1-CZ2 4.47Å; I74-W76 HydrophobicContact CG2-CD2 3.82Å; I74-W76 VanDerWaalsContact CG2-CE2 3.42Å; I74-W76 HydrophobicContact CG2-CE3 4.38Å; I74-W76 HydrophobicContact CG2-CG 4.21Å; I74-W76 HydrophobicContact CG2-CH2 4.27Å; I74-W76 HydrophobicContact CG2-CZ2 3.68Å; I74-W76 VanDerWaalsContact O-CD1 3.26Å; I74-W76 PolarHBondContact O-N 3.22Å; I74-W76 VanDerWaalsContact O-N 3.14Å; W76-F78 HydrophobicContact CB-CD2 3.97Å; W76-F78 HydrophobicContact CB-CE2 3.3Å; W76-F78 HydrophobicContact CB-CZ 3.68Å; W76-F78 HydrophobicContact CD2-CZ 4.4Å; W76-F78 HydrophobicContact CE3-CZ 4.4Å; W76-F78 HydrophobicContact CG-CE2 4.14Å; W76-F78 HydrophobicContact CG-CZ 4.15Å; W76-F78 PolarHBondContact O-N 3.32Å |
| 77 | I | 76.1 | Confident | 64.7 | Low | 154 Ų | 154 | 122.5 Ų | 122.5 | 79% | 0.79 | 62% | 0.619 | S | S | * | * | | | trans | -84.7 | 101.4 | 173.3 | -57.6 | 174.6 | 0 | 0 | 0 | 108.2 | V75 | V75-I77 HydrophobicContact CG1-CG1 4.18Å; V75-I77 PolarHBondContact O-N 2.95Å; V75-I77 VanDerWaalsContact O-N 3.16Å |
| 78 | F | 76.1 | Confident | 65.3 | Low | 97 Ų | 97 | 121.7 Ų | 121.7 | 43% | 0.425 | 61% | 0.612 | S | S | . | * | | | trans | -91 | 136.8 | 178.4 | -67.7 | -76.2 | 0 | 0 | 0 | 112 | W76 V82 L83 | W76-F78 HydrophobicContact CB-CD2 3.97Å; W76-F78 HydrophobicContact CB-CE2 3.3Å; W76-F78 HydrophobicContact CB-CZ 3.68Å; W76-F78 HydrophobicContact CD2-CZ 4.4Å; W76-F78 HydrophobicContact CE3-CZ 4.4Å; W76-F78 HydrophobicContact CG-CE2 4.14Å; W76-F78 HydrophobicContact CG-CZ 4.15Å; W76-F78 PolarHBondContact O-N 3.32Å; F78-V82 HydrophobicContact CD1-CG1 4.23Å; F78-L83 HydrophobicContact CB-CD2 4.1Å; F78-L83 HydrophobicContact CB-CG 4.18Å |
| 79 | P | 77.5 | Confident | 65.7 | Low | 68 Ų | 68 | 122.9 Ų | 122.9 | 44% | 0.442 | 62% | 0.621 | S | S | . | * | | | trans | -64.2 | 147.5 | 173.7 | 25.6 | -31.8 | 0 | 0 | 0 | 110.9 | Q81 V82 L83 | P79-Q81 PolarHBondContact O-N 3.5Å; P79-V82 HydrophobicContact CG-CB 4.27Å; P79-V82 HydrophobicContact CG-CG2 3.81Å; P79-V82 PolarHBondContact O-N 3.31Å; P79-L83 PolarHBondContact O-N 3.12Å |
| 80 | P | 73.2 | Confident | 66.1 | Low | 94 Ų | 94 | 117.7 Ų | 117.7 | 61% | 0.61 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.9 | -23.1 | -172.9 | 23.2 | -33.9 | 0 | 0 | 0 | 113.8 | L83 R84 | P80-L83 PolarHBondContact O-N 3.35Å; P80-R84 WeakPolarHBondContact O-CG 3.41Å; P80-R84 PolarHBondContact O-N 3.05Å |
| 81 | Q | 76 | Confident | 66.4 | Low | 147 Ų | 147 | 118 Ų | 118 | 69% | 0.687 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.5 | -41.8 | 174.6 | -65.2 | 175.9 | -19.4 | 0 | 0 | 111.9 | P79 R84 H85 | P79-Q81 PolarHBondContact O-N 3.5Å; Q81-R84 WeakPolarHBondContact O-CB 3.47Å; Q81-R84 PolarHBondContact O-N 3.16Å; Q81-H85 PolarHBondContact O-CD2 3.02Å; Q81-H85 PolarHBondContact O-N 3.14Å |
| 82 | V | 67.4 | Low | 66.8 | Low | 61 Ų | 61 | 120.8 Ų | 120.8 | 37% | 0.37 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.9 | -37.1 | 176.5 | 176.6 | 0 | 0 | 0 | 0 | 110.3 | F78 P79 R84 H85 L86 | F78-V82 HydrophobicContact CD1-CG1 4.23Å; P79-V82 HydrophobicContact CG-CB 4.27Å; P79-V82 HydrophobicContact CG-CG2 3.81Å; P79-V82 PolarHBondContact O-N 3.31Å; V82-R84 PolarHBondContact O-N 2.74Å; V82-H85 PolarHBondContact O-N 3.07Å; V82-H85 VanDerWaalsContact O-N 3.09Å; V82-L86 HydrophobicContact CG1-CD1 4.38Å; V82-L86 PolarHBondContact O-N 2.95Å |
| 83 | L | 68.4 | Low | 67.2 | Low | 88 Ų | 88 | 123.5 Ų | 123.5 | 46% | 0.461 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -60.3 | -34.3 | 173.2 | -67.5 | 174.5 | 0 | 0 | 0 | 112.4 | F78 P79 P80 L86 R87 | F78-L83 HydrophobicContact CB-CD2 4.1Å; F78-L83 HydrophobicContact CB-CG 4.18Å; P79-L83 PolarHBondContact O-N 3.12Å; P80-L83 PolarHBondContact O-N 3.35Å; L83-L86 PolarHBondContact O-N 2.64Å; L83-R87 WeakPolarHBondContact O-CB 3.34Å; L83-R87 PolarHBondContact O-N 3.41Å |
| 84 | R | 68 | Low | 66.9 | Low | 194 Ų | 194 | 125.2 Ų | 125.2 | 73% | 0.732 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.6 | -37.5 | 174.4 | -74.1 | 176.9 | -175.4 | -160.6 | 0.9 | 112.3 | P80 Q81 V82 R87 Q88 | P80-R84 WeakPolarHBondContact O-CG 3.41Å; P80-R84 PolarHBondContact O-N 3.05Å; Q81-R84 WeakPolarHBondContact O-CB 3.47Å; Q81-R84 PolarHBondContact O-N 3.16Å; V82-R84 PolarHBondContact O-N 2.74Å; R84-R87 PolarHBondContact O-N 3.5Å; R84-Q88 PolarHBondContact O-N 3.23Å |
| 85 | H | 66.6 | Low | 66.7 | Low | 112 Ų | 112 | 131.2 Ų | 131.2 | 52% | 0.519 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -69.8 | -39.1 | 175 | -70.6 | -64.5 | 0 | 0 | 0 | 112 | Q81 V82 R87 Q88 I91 | Q81-H85 PolarHBondContact O-CD2 3.02Å; Q81-H85 PolarHBondContact O-N 3.14Å; V82-H85 PolarHBondContact O-N 3.07Å; V82-H85 VanDerWaalsContact O-N 3.09Å; H85-R87 PolarHBondContact O-N 3.46Å; H85-Q88 PolarHBondContact ND1-OE1 3.32Å; H85-Q88 VanDerWaalsContact ND1-OE1 3.17Å; H85-Q88 WeakPolarHBondContact O-CB 3.36Å; H85-Q88 WeakPolarHBondContact O-CG 3.39Å; H85-Q88 PolarHBondContact O-N 3.5Å; H85-Q88 VanDerWaalsContact O-N 3.09Å; H85-I91 WeakPolarHBondContact O-CD1 3.43Å |
| 86 | L | 65.3 | Low | 66.6 | Low | 104 Ų | 104 | 132.2 Ų | 132.2 | 55% | 0.545 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -67.1 | -24.2 | 172.2 | -65.4 | 174.9 | 0 | 0 | 0 | 112.8 | V82 L83 Q88 | V82-L86 HydrophobicContact CG1-CD1 4.38Å; V82-L86 PolarHBondContact O-N 2.95Å; L83-L86 PolarHBondContact O-N 2.64Å; L86-Q88 VanDerWaalsContact C-N 3.25Å; L86-Q88 PolarHBondContact O-N 3.21Å |
| 87 | R | 64.5 | Low | 66.2 | Low | 224 Ų | 224 | 129.7 Ų | 129.7 | 85% | 0.845 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -2.5 | 172.1 | -107.4 | -164.3 | 178.5 | -166.4 | 1 | 114 | L83 R84 H85 P89 | L83-R87 WeakPolarHBondContact O-CB 3.34Å; L83-R87 PolarHBondContact O-N 3.41Å; R84-R87 PolarHBondContact O-N 3.5Å; H85-R87 PolarHBondContact O-N 3.46Å; R87-P89 WeakPolarHBondContact O-CD 3.44Å |
| 88 | Q | 60.6 | Low | 65.6 | Low | 106 Ų | 106 | 128.3 Ų | 128.3 | 50% | 0.495 | 65% | 0.65 | S | S | . | * | S | Bend | trans | -73 | 118 | 173.2 | -62.5 | -174.2 | -79.2 | 0 | 0 | 108.3 | R84 H85 L86 G90 | R84-Q88 PolarHBondContact O-N 3.23Å; H85-Q88 PolarHBondContact ND1-OE1 3.32Å; H85-Q88 VanDerWaalsContact ND1-OE1 3.17Å; H85-Q88 WeakPolarHBondContact O-CB 3.36Å; H85-Q88 WeakPolarHBondContact O-CG 3.39Å; H85-Q88 PolarHBondContact O-N 3.5Å; H85-Q88 VanDerWaalsContact O-N 3.09Å; L86-Q88 VanDerWaalsContact C-N 3.25Å; L86-Q88 PolarHBondContact O-N 3.21Å; Q88-G90 PolarHBondContact O-N 3.45Å |
| 89 | P | 57.4 | Low | 65 | Low | 138 Ų | 138 | 130.2 Ų | 130.2 | 90% | 0.896 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 102.4 | -177.9 | 29.1 | -31.7 | 0 | 0 | 0 | 107.4 | R87 | R87-P89 WeakPolarHBondContact O-CD 3.44Š|
| 90 | G | 60.1 | Low | 64.2 | Low | 53 Ų | 53 | 134.1 Ų | 134.1 | 55% | 0.546 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 150.2 | -11.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q88 F92 | Q88-G90 PolarHBondContact O-N 3.45Å; G90-F92 VanDerWaalsContact C-N 3.27Å; G90-F92 PolarHBondContact O-N 3.05Å |
| 91 | I | 59.1 | Low | 63.6 | Low | 107 Ų | 107 | 136.7 Ų | 136.7 | 55% | 0.549 | 68% | 0.682 | S | S | . | * | | | trans | -82.8 | 81.1 | 171.3 | -50.5 | -179.4 | 0 | 0 | 0 | 108.4 | H85 L93 | H85-I91 WeakPolarHBondContact O-CD1 3.43Å; I91-L93 PolarHBondContact O-N 2.7Å |
| 92 | F | 61.3 | Low | 62.7 | Low | 177 Ų | 177 | 136 Ų | 136 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | | | trans | -76 | 106.2 | 163.6 | -64.8 | -82.2 | 0 | 0 | 0 | 107.6 | G90 I94 | G90-F92 VanDerWaalsContact C-N 3.27Å; G90-F92 PolarHBondContact O-N 3.05Å; F92-I94 PolarHBondContact O-N 3.23Å |
| 93 | L | 63 | Low | 62.4 | Low | 158 Ų | 158 | 141.8 Ų | 141.8 | 83% | 0.827 | 71% | 0.706 | S | S | * | * | | | trans | -66.4 | 97.9 | 163.8 | -173 | 85.7 | 0 | 0 | 0 | 106.9 | I91 L95 | I91-L93 PolarHBondContact O-N 2.7Å; L93-L95 PolarHBondContact O-N 3.01Å |
| 94 | I | 56.3 | Low | 61.9 | Low | 158 Ų | 158 | 146.3 Ų | 146.3 | 81% | 0.81 | 73% | 0.726 | S | S | * | * | | | trans | -82.5 | 111.1 | 169.8 | -59.2 | 169.9 | 0 | 0 | 0 | 106.2 | F92 | F92-I94 PolarHBondContact O-N 3.23Š|
| 95 | L | 60.1 | Low | 61.3 | Low | 224 Ų | 224 | 141.9 Ų | 141.9 | 100% | 1.173 | 73% | 0.726 | S | S | * | * | | | trans | -100 | 0 | 167 | -162.4 | 98.6 | 0 | 0 | 0 | 108.9 | L93 | L93-L95 PolarHBondContact O-N 3.01Š|