| 1 | M | 40.1 | Very low | 57.8 | Low | 250 Ų | 250 | 109.8 Ų | 109.8 | 100% | 1.232 | 70% | 0.701 | S | S | * | * | | | | 0 | 121.7 | 0 | -70.3 | 170.8 | 98.8 | 0 | 0 | 107.5 | | |
| 2 | A | 53.6 | Low | 58.5 | Low | 98 Ų | 98 | 105.6 Ų | 105.6 | 81% | 0.81 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 124.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | I4 | A2-I4 PolarHBondContact O-N 3.21Š|
| 3 | A | 56.2 | Low | 59.3 | Low | 98 Ų | 98 | 102.7 Ų | 102.7 | 81% | 0.81 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 118 | 178 | 0 | 0 | 0 | 0 | 0 | 108.9 | P5 | A3-P5 WeakPolarHBondContact O-CD 3.42Š|
| 4 | I | 52.8 | Low | 60.6 | Low | 161 Ų | 161 | 103.9 Ų | 103.9 | 83% | 0.826 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 121.1 | 170.3 | -58.5 | 177.8 | 0 | 0 | 0 | 106.4 | A2 S6 | A2-I4 PolarHBondContact O-N 3.21Å; I4-S6 PolarHBondContact O-N 3.32Å; I4-S6 VanDerWaalsContact O-N 3.16Å |
| 5 | P | 58.3 | Low | 61.3 | Low | 77 Ų | 77 | 101.7 Ų | 101.7 | 50% | 0.5 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 122.1 | 174.4 | 24.9 | -30.5 | 0 | 0 | 0 | 108.3 | A3 S7 | A3-P5 WeakPolarHBondContact O-CD 3.42Å; P5-S7 PolarHBondContact O-N 3.27Å |
| 6 | S | 61.5 | Low | 61.9 | Low | 94 Ų | 94 | 103 Ų | 103 | 66% | 0.657 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 137.9 | 169.9 | 177.3 | 0 | 0 | 0 | 0 | 108.9 | I4 G8 S9 | I4-S6 PolarHBondContact O-N 3.32Å; I4-S6 VanDerWaalsContact O-N 3.16Å; S6-G8 PolarHBondContact O-N 3.27Å; S6-S9 VanDerWaalsContact O-CB 3.26Å; S6-S9 WeakPolarHBondContact O-CB 3.26Å; S6-S9 PolarHBondContact O-N 2.82Å |
| 7 | S | 60.5 | Low | 62.6 | Low | 110 Ų | 110 | 105.3 Ų | 105.3 | 77% | 0.769 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -53.2 | -22.8 | -170 | 52.5 | 0 | 0 | 0 | 0 | 114.8 | P5 | P5-S7 PolarHBondContact O-N 3.27Å |
| 8 | G | 61.6 | Low | 63.3 | Low | 50 Ų | 50 | 109.4 Ų | 109.4 | 52% | 0.515 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -75.7 | -19.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S6 A12 | S6-G8 PolarHBondContact O-N 3.27Å; G8-A12 PolarHBondContact O-N 2.91Å |
| 9 | S | 59.3 | Low | 63.8 | Low | 56 Ų | 56 | 112.5 Ų | 112.5 | 39% | 0.392 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -71.1 | -36 | 178.7 | -178.1 | 0 | 0 | 0 | 0 | 112.1 | S6 V11 A12 T13 | S6-S9 VanDerWaalsContact O-CB 3.26Å; S6-S9 WeakPolarHBondContact O-CB 3.26Å; S6-S9 PolarHBondContact O-N 2.82Å; S9-V11 PolarHBondContact O-N 3.16Å; S9-A12 PolarHBondContact O-N 3.43Å; S9-T13 WeakPolarHBondContact O-CB 3.44Å; S9-T13 PolarHBondContact O-N 3.38Å; S9-T13 PolarHBondContact O-OG1 2.88Å |
| 10 | L | 63.6 | Low | 64.1 | Low | 120 Ų | 120 | 114.7 Ų | 114.7 | 63% | 0.628 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65 | -42.2 | -176.1 | -104.3 | 164.2 | 0 | 0 | 0 | 112 | H14 | L10-H14 WeakPolarHBondContact O-CB 3.32Å; L10-H14 PolarHBondContact O-N 3.46Å |
| 11 | V | 68.3 | Low | 64.1 | Low | 94 Ų | 94 | 115.7 Ų | 115.7 | 57% | 0.57 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.8 | -44.1 | 176.9 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | S9 T13 H14 D15 | S9-V11 PolarHBondContact O-N 3.16Å; V11-T13 PolarHBondContact O-N 3.49Å; V11-H14 PolarHBondContact O-N 2.91Å; V11-D15 PolarHBondContact O-N 2.79Å |
| 12 | A | 66.7 | Low | 65 | Low | 59 Ų | 59 | 105.9 Ų | 105.9 | 49% | 0.488 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.5 | -40 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G8 S9 Y16 | G8-A12 PolarHBondContact O-N 2.91Å; S9-A12 PolarHBondContact O-N 3.43Å; A12-Y16 WeakPolarHBondContact O-CB 3.41Å; A12-Y16 PolarHBondContact O-N 2.67Å; A12-Y16 VanDerWaalsContact O-N 3.15Å |
| 13 | T | 68.8 | Low | 65.1 | Low | 68 Ų | 68 | 105 Ų | 105 | 42% | 0.417 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.6 | -40.6 | 175.3 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | S9 V11 Y16 Y17 | S9-T13 WeakPolarHBondContact O-CB 3.44Å; S9-T13 PolarHBondContact O-N 3.38Å; S9-T13 PolarHBondContact O-OG1 2.88Å; V11-T13 PolarHBondContact O-N 3.49Å; T13-Y16 PolarHBondContact O-N 2.76Å; T13-Y17 HydrophobicContact CG2-CD2 4.08Å; T13-Y17 HydrophobicContact CG2-CE2 4.2Å; T13-Y17 WeakPolarHBondContact O-CD2 3.36Å; T13-Y17 PolarHBondContact O-N 3.3Å; T13-Y17 VanDerWaalsContact O-N 3.12Å |
| 14 | H | 76.7 | Confident | 65.2 | Low | 119 Ų | 119 | 106.7 Ų | 106.7 | 55% | 0.551 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.7 | -45.5 | 177.1 | -179.5 | -89.2 | 0 | 0 | 0 | 112 | L10 V11 Y16 Y17 R18 | L10-H14 WeakPolarHBondContact O-CB 3.32Å; L10-H14 PolarHBondContact O-N 3.46Å; V11-H14 PolarHBondContact O-N 2.91Å; H14-Y16 VanDerWaalsContact C-N 3.32Å; H14-Y16 PolarHBondContact O-N 2.89Å; H14-Y17 PolarHBondContact O-N 3.44Å; H14-R18 PolarHBondContact O-N 2.95Å |
| 15 | D | 71.3 | Confident | 65.4 | Low | 71 Ų | 71 | 103.5 Ų | 103.5 | 38% | 0.38 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.2 | -30.3 | 179.3 | -74.7 | -17.8 | 0 | 0 | 0 | 113.4 | V11 R19 | V11-D15 PolarHBondContact O-N 2.79Å; D15-R19 WeakPolarHBondContact O-CB 3.49Å; D15-R19 PolarHBondContact O-N 2.97Å; D15-R19 PolarHBondContact O-NE 3.15Å |
| 16 | Y | 70.8 | Confident | 64.8 | Low | 123 Ų | 123 | 104.6 Ų | 104.6 | 48% | 0.482 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.3 | -42.8 | 173.8 | 175.5 | -103.5 | 0 | 0 | 0 | 111.8 | A12 T13 H14 R19 R20 | A12-Y16 WeakPolarHBondContact O-CB 3.41Å; A12-Y16 PolarHBondContact O-N 2.67Å; A12-Y16 VanDerWaalsContact O-N 3.15Å; T13-Y16 PolarHBondContact O-N 2.76Å; H14-Y16 VanDerWaalsContact C-N 3.32Å; H14-Y16 PolarHBondContact O-N 2.89Å; Y16-R19 PolarHBondContact O-N 3.25Å; Y16-R20 WeakPolarHBondContact O-CB 3.47Å; Y16-R20 PolarHBondContact O-N 2.92Å; Y16-R20 VanDerWaalsContact OH-CZ 3.28Å; Y16-R20 PolarHBondContact OH-NE 3.02Å; Y16-R20 PolarHBondContact OH-NH2 2.93Å |
| 17 | Y | 74.7 | Confident | 64.6 | Low | 142 Ų | 142 | 106.9 Ų | 106.9 | 56% | 0.557 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.6 | -41.5 | 175.8 | -92.3 | -86.2 | 0 | 0 | 0 | 112.2 | T13 H14 R19 R20 L21 | T13-Y17 HydrophobicContact CG2-CD2 4.08Å; T13-Y17 HydrophobicContact CG2-CE2 4.2Å; T13-Y17 WeakPolarHBondContact O-CD2 3.36Å; T13-Y17 PolarHBondContact O-N 3.3Å; T13-Y17 VanDerWaalsContact O-N 3.12Å; H14-Y17 PolarHBondContact O-N 3.44Å; Y17-R19 PolarHBondContact O-N 3.12Å; Y17-R20 PolarHBondContact O-N 3.11Å; Y17-L21 WeakPolarHBondContact O-CB 3.31Å; Y17-L21 VanDerWaalsContact O-CG 3.31Å; Y17-L21 WeakPolarHBondContact O-CG 3.33Å; Y17-L21 PolarHBondContact O-N 3.27Å |
| 18 | R | 74.1 | Confident | 64.5 | Low | 180 Ų | 180 | 107.6 Ų | 107.6 | 68% | 0.679 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.6 | -43.3 | 173.7 | -88.8 | -78.6 | -76.1 | -157.1 | -4.4 | 112.2 | H14 G22 | H14-R18 PolarHBondContact O-N 2.95Å; R18-G22 PolarHBondContact O-N 3.42Å |
| 19 | R | 74.3 | Confident | 64.2 | Low | 167 Ų | 167 | 110 Ų | 110 | 63% | 0.63 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.8 | -48.8 | 174.8 | -86.5 | 179 | -79.7 | -154.2 | -4.2 | 111.9 | D15 Y16 Y17 L21 G22 S23 | D15-R19 WeakPolarHBondContact O-CB 3.49Å; D15-R19 PolarHBondContact O-N 2.97Å; D15-R19 PolarHBondContact O-NE 3.15Å; Y16-R19 PolarHBondContact O-N 3.25Å; Y17-R19 PolarHBondContact O-N 3.12Å; R19-L21 VanDerWaalsContact C-N 3.34Å; R19-L21 PolarHBondContact O-N 3.48Å; R19-G22 CarbonylContact O-C 3.49Å; R19-G22 PolarHBondContact O-N 3.03Å; R19-G22 VanDerWaalsContact O-N 3.07Å; R19-S23 VanDerWaalsContact O-CB 3.31Å; R19-S23 WeakPolarHBondContact O-CB 3.47Å; R19-S23 PolarHBondContact O-N 3.37Å; R19-S23 PolarHBondContact O-OG 3.46Å |
| 20 | R | 69.6 | Low | 63.9 | Low | 156 Ų | 156 | 112.5 Ų | 112.5 | 59% | 0.589 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.1 | -37.4 | -179.1 | -175.7 | 172.4 | -74.5 | -105.1 | -5.3 | 113 | Y16 Y17 | Y16-R20 WeakPolarHBondContact O-CB 3.47Å; Y16-R20 PolarHBondContact O-N 2.92Å; Y16-R20 VanDerWaalsContact OH-CZ 3.28Å; Y16-R20 PolarHBondContact OH-NE 3.02Å; Y16-R20 PolarHBondContact OH-NH2 2.93Å; Y17-R20 PolarHBondContact O-N 3.11Å |
| 21 | L | 64.7 | Low | 62.8 | Low | 136 Ų | 136 | 112.4 Ų | 112.4 | 71% | 0.712 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -74.3 | -28.2 | 173.6 | -69 | 169.8 | 0 | 0 | 0 | 112.7 | Y17 R19 | Y17-L21 WeakPolarHBondContact O-CB 3.31Å; Y17-L21 VanDerWaalsContact O-CG 3.31Å; Y17-L21 WeakPolarHBondContact O-CG 3.33Å; Y17-L21 PolarHBondContact O-N 3.27Å; R19-L21 VanDerWaalsContact C-N 3.34Å; R19-L21 PolarHBondContact O-N 3.48Å |
| 22 | G | 58.7 | Low | 62.4 | Low | 45 Ų | 45 | 112.4 Ų | 112.4 | 46% | 0.464 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -83.6 | -11.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | R18 R19 | R18-G22 PolarHBondContact O-N 3.42Å; R19-G22 CarbonylContact O-C 3.49Å; R19-G22 PolarHBondContact O-N 3.03Å; R19-G22 VanDerWaalsContact O-N 3.07Å |
| 23 | S | 55.6 | Low | 62.1 | Low | 78 Ų | 78 | 114.9 Ų | 114.9 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.6 | 6.9 | -171.5 | -71.4 | 0 | 0 | 0 | 0 | 115.8 | R19 S25 | R19-S23 VanDerWaalsContact O-CB 3.31Å; R19-S23 WeakPolarHBondContact O-CB 3.47Å; R19-S23 PolarHBondContact O-N 3.37Å; R19-S23 PolarHBondContact O-OG 3.46Å; S23-S25 VanDerWaalsContact C-N 3.28Å |
| 24 | T | 57.8 | Low | 60.6 | Low | 134 Ų | 134 | 120 Ų | 120 | 82% | 0.822 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | 7.8 | 169.5 | 54.5 | 0 | 0 | 0 | 0 | 114 | | |
| 25 | S | 56.5 | Low | 59.3 | Low | 94 Ų | 94 | 120.6 Ų | 120.6 | 66% | 0.657 | 67% | 0.674 | S | S | * | * | | | trans | -155.8 | 65.2 | 172.3 | 64.6 | 0 | 0 | 0 | 0 | 111.7 | S23 N27 | S23-S25 VanDerWaalsContact C-N 3.28Å; S25-N27 PolarHBondContact O-N 2.95Å |
| 26 | S | 45.5 | Very low | 58.3 | Low | 101 Ų | 101 | 123 Ų | 123 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | | | trans | -85.7 | 73.8 | 161.7 | -69 | 0 | 0 | 0 | 0 | 109.6 | S28 | S26-S28 PolarHBondContact O-N 2.89Š|
| 27 | N | 57.2 | Low | 57.8 | Low | 141 Ų | 141 | 120.6 Ų | 120.6 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | | | trans | -71.9 | 107.5 | 146.4 | -81.5 | 12.8 | 0 | 0 | 0 | 105.4 | S25 S29 | S25-N27 PolarHBondContact O-N 2.95Å; N27-S29 VanDerWaalsContact C-N 3.26Å; N27-S29 PolarHBondContact O-N 3.37Å |
| 28 | S | 58.6 | Low | 56.4 | Low | 125 Ų | 125 | 123.4 Ų | 123.4 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | | | trans | -62.8 | 92.6 | 164.1 | 51.3 | 0 | 0 | 0 | 0 | 108.2 | S26 | S26-S28 PolarHBondContact O-N 2.89Š|
| 29 | S | 55.8 | Low | 55.6 | Low | 102 Ų | 102 | 118.8 Ų | 118.8 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | | | trans | -94.4 | 119.1 | 173.5 | -76.6 | 0 | 0 | 0 | 0 | 110.2 | N27 | N27-S29 VanDerWaalsContact C-N 3.26Å; N27-S29 PolarHBondContact O-N 3.37Å |
| 30 | C | 52.1 | Low | 54.8 | Low | 107 Ų | 107 | 117.1 Ų | 117.1 | 72% | 0.723 | 73% | 0.727 | S | S | * | * | | | trans | 37.9 | 100 | 152.6 | -74.6 | 0 | 0 | 0 | 0 | 118.4 | S32 | C30-S32 VanDerWaalsContact C-N 3.34Å; C30-S32 PolarHBondContact O-N 3.35Å |
| 31 | S | 41.1 | Very low | 54.1 | Low | 119 Ų | 119 | 115.8 Ų | 115.8 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | | | trans | -76.3 | 93.9 | 137.9 | -172 | 0 | 0 | 0 | 0 | 107.7 | | |
| 32 | S | 59.9 | Low | 53.4 | Low | 93 Ų | 93 | 116 Ų | 116 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | | | trans | -108.3 | 73.9 | 169.4 | -68.6 | 0 | 0 | 0 | 0 | 109.6 | C30 | C30-S32 VanDerWaalsContact C-N 3.34Å; C30-S32 PolarHBondContact O-N 3.35Å |
| 33 | T | 61.6 | Low | 53 | Low | 111 Ų | 111 | 119.8 Ų | 119.8 | 68% | 0.681 | 75% | 0.753 | S | S | * | * | | | trans | -165.1 | 112.3 | 157.6 | 51.5 | 0 | 0 | 0 | 0 | 102.9 | | |
| 34 | E | 36.5 | Very low | 52.5 | Low | 176 Ų | 176 | 122.2 Ų | 122.2 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | | -170.9 | 133.2 | 50.5 | 52.7 | -158.7 | 77.4 | 0 | 0 | 106.7 | | |
| 35 | C | 48.8 | Very low | 51.8 | Low | 131 Ų | 131 | 119 Ų | 119 | 89% | 0.885 | 76% | 0.76 | S | S | * | * | | | trans | -99 | 132.9 | 160.3 | -71.4 | 0 | 0 | 0 | 0 | 106.4 | | |
| 36 | P | 50.6 | Low | 51.2 | Low | 121 Ų | 121 | 121.4 Ų | 121.4 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | | | | -144.4 | 125.4 | 106.7 | 32.3 | -14.8 | 0 | 0 | 0 | 113.7 | | |
| 37 | G | 61.1 | Low | 50.8 | Low | 73 Ų | 73 | 122.9 Ų | 122.9 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | | | trans | 84.5 | 88.4 | 145.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 38 | E | 44.2 | Very low | 50.7 | Low | 201 Ų | 201 | 125.5 Ų | 125.5 | 94% | 0.939 | 77% | 0.769 | S | S | * | * | | | | -154.8 | 138.1 | 120.2 | -146.2 | 152.9 | 101.5 | 0 | 0 | 110.1 | | |
| 39 | A | 57.1 | Low | 49.9 | Very low | 84 Ų | 84 | 126.4 Ų | 126.4 | 69% | 0.694 | 76% | 0.762 | S | S | * | * | | | trans | -65 | 140.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 40 | I | 57.2 | Low | 49.5 | Very low | 131 Ų | 131 | 125 Ų | 125 | 67% | 0.672 | 76% | 0.757 | S | S | * | * | | | | 179.4 | 122.5 | 126.1 | -75.1 | 137.6 | 0 | 0 | 0 | 106.5 | H42 | I40-H42 WeakPolarHBondContact CG2-ND1 3.42Š|
| 41 | P | 55.4 | Low | 49.3 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | | | trans | -86.3 | 112.9 | 171.8 | 31.7 | -27.7 | 0 | 0 | 0 | 110.3 | | |
| 42 | H | 50.7 | Low | 49.2 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 65% | 0.653 | 76% | 0.762 | S | S | * | * | | | trans | -123.5 | 121.1 | 159.4 | 24.6 | -99.9 | 0 | 0 | 0 | 108.8 | I40 P44 | I40-H42 WeakPolarHBondContact CG2-ND1 3.42Å; H42-P44 WeakPolarHBondContact O-CD 3.38Å |
| 43 | P | 50.8 | Low | 48.4 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | | | trans | -90.4 | 118.7 | 172.3 | 32.1 | -28.2 | 0 | 0 | 0 | 110.3 | | |
| 44 | P | 43.7 | Very low | 47.8 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | | | trans | -86.8 | 111 | 154.5 | 10.8 | 6.5 | 0 | 0 | 0 | 108 | H42 | H42-P44 WeakPolarHBondContact O-CD 3.38Š|
| 45 | G | 44.5 | Very low | 48.7 | Very low | 67 Ų | 67 | 133.6 Ų | 133.6 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | | | trans | -64.7 | 148.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 46 | E | 42.4 | Very low | 48.4 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 67% | 0.673 | 77% | 0.773 | S | S | * | * | | | trans | 68.5 | 85.8 | 147.8 | -59.3 | -169.8 | 128.2 | 0 | 0 | 118.6 | R48 | E46-R48 VanDerWaalsContact C-N 3.31Å; E46-R48 PolarHBondContact O-N 3.43Å; E46-R48 IonicContact OE1-CZ 3.58Å; E46-R48 IonicContact OE1-NE 3.72Å; E46-R48 IonicContact OE1-NH2 2.81Å; E46-R48 PolarHBondContact OE1-NH2 3.47Å; E46-R48 IonicContact OE2-CZ 3.88Å; E46-R48 IonicContact OE2-NH2 3.55Å |
| 47 | C | 38.5 | Very low | 48.5 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 89% | 0.892 | 77% | 0.772 | S | S | * | * | | | trans | -66.8 | 87.8 | 148.2 | -64.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 48 | R | 53.6 | Low | 48.1 | Very low | 197 Ų | 197 | 139.6 Ų | 139.6 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | trans | -93.8 | 85.5 | 161.2 | -73.2 | -168.7 | -172.3 | 153.9 | 12.1 | 109.7 | E46 | E46-R48 VanDerWaalsContact C-N 3.31Å; E46-R48 PolarHBondContact O-N 3.43Å; E46-R48 IonicContact OE1-CZ 3.58Å; E46-R48 IonicContact OE1-NE 3.72Å; E46-R48 IonicContact OE1-NH2 2.81Å; E46-R48 PolarHBondContact OE1-NH2 3.47Å; E46-R48 IonicContact OE2-CZ 3.88Å; E46-R48 IonicContact OE2-NH2 3.55Å |
| 49 | I | 42.1 | Very low | 48.2 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | | | trans | -100.1 | 95.4 | 161.6 | -59.9 | 175.4 | 0 | 0 | 0 | 106.5 | | |
| 50 | A | 47.5 | Very low | 46.9 | Very low | 72 Ų | 72 | 141 Ų | 141 | 60% | 0.595 | 77% | 0.77 | S | S | * | * | | | trans | -58.8 | 150.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | F52 | A50-F52 PolarHBondContact O-N 3.37Š|
| 51 | P | 47.6 | Very low | 46.6 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | | | trans | -64.3 | 111.6 | 176.7 | 26.4 | -31.8 | 0 | 0 | 0 | 109 | S53 | P51-S53 PolarHBondContact O-N 2.73Š|
| 52 | F | 40.4 | Very low | 46.1 | Very low | 198 Ų | 198 | 144.5 Ų | 144.5 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | | | trans | -60.1 | 105.7 | 172.6 | -90 | -90 | 0 | 0 | 0 | 109.1 | A50 | A50-F52 PolarHBondContact O-N 3.37Š|
| 53 | S | 43.2 | Very low | 45.7 | Very low | 101 Ų | 101 | 144.9 Ų | 144.9 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | -67.4 | 137.9 | 163.9 | -72.8 | 0 | 0 | 0 | 0 | 109.6 | P51 R55 | P51-S53 PolarHBondContact O-N 2.73Å; S53-R55 PolarHBondContact O-N 3.16Å |
| 54 | P | 47.8 | Very low | 45.1 | Very low | 140 Ų | 140 | 144.2 Ų | 144.2 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | | | trans | -79.8 | 85.9 | 176.8 | 32.6 | -31 | 0 | 0 | 0 | 109.1 | | |
| 55 | R | 55.8 | Low | 45.5 | Very low | 226 Ų | 226 | 143.9 Ų | 143.9 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | | | trans | -138.9 | 82.6 | 169.3 | -164.7 | 177.6 | -134.7 | -105.8 | 3.7 | 110.6 | S53 | S53-R55 PolarHBondContact O-N 3.16Š|
| 56 | S | 42.5 | Very low | 45.7 | Very low | 115 Ų | 115 | 146.3 Ų | 146.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | -153.8 | 61.2 | 155.8 | -157.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 57 | S | 53.3 | Low | 46.1 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | trans | -95.7 | 94.4 | 154.4 | -60.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 58 | R | 52.3 | Low | 46.8 | Very low | 227 Ų | 227 | 145.9 Ų | 145.9 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | | | trans | 155.2 | 101.5 | 155.1 | -96.1 | 171.9 | -82.2 | -126.2 | -2.4 | 110.6 | | |
| 59 | S | 45.3 | Very low | 46.7 | Very low | 94 Ų | 94 | 144.5 Ų | 144.5 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 170.1 | 99.2 | 169.5 | 158.6 | 0 | 0 | 0 | 0 | 104.3 | | |
| 60 | W | 30.6 | Very low | 46.4 | Very low | 221 Ų | 221 | 142.7 Ų | 142.7 | 84% | 0.837 | 77% | 0.77 | S | S | * | * | | | cis | -149 | 110.5 | 19 | -76.2 | 84.4 | 0 | 0 | 0 | 107.6 | H62 | W60-H62 PolarHBondContact O-N 2.79Š|
| 61 | Q | 51.5 | Low | 46.6 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | trans | -83.1 | 87.7 | 162.5 | -71 | -69.6 | 101.8 | 0 | 0 | 106.7 | | |
| 62 | H | 44.6 | Very low | 46.7 | Very low | 175 Ų | 175 | 144.7 Ų | 144.7 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | | | trans | -94.7 | 85.2 | 160.1 | -151.3 | -115.7 | 0 | 0 | 0 | 107 | W60 D64 | W60-H62 PolarHBondContact O-N 2.79Å; H62-D64 PolarHBondContact O-N 2.82Å |
| 63 | Q | 42.9 | Very low | 47.3 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | | | trans | -75.7 | 111.9 | 173.5 | -65.3 | -76.5 | 92.7 | 0 | 0 | 107.5 | | |
| 64 | D | 37.9 | Very low | 48 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 59% | 0.594 | 79% | 0.788 | S | S | * | * | | | trans | -71.3 | 125.3 | 166 | -171.7 | -48.8 | 0 | 0 | 0 | 108.6 | H62 T66 | H62-D64 PolarHBondContact O-N 2.82Å; D64-T66 PolarHBondContact O-N 3.07Å; D64-T66 WeakPolarHBondContact OD1-CB 3.49Å; D64-T66 PolarHBondContact OD1-N 2.86Å; D64-T66 PolarHBondContact OD1-OG1 3.21Å |
| 65 | P | 50.9 | Low | 48.5 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -82.5 | 44.6 | -176.4 | 36.2 | -35.7 | 0 | 0 | 0 | 112.7 | | |
| 66 | T | 48.7 | Very low | 48.7 | Very low | 118 Ų | 118 | 137 Ų | 137 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | | | trans | -115 | 31.4 | 172.9 | -39.4 | 0 | 0 | 0 | 0 | 111.4 | D64 L68 | D64-T66 PolarHBondContact O-N 3.07Å; D64-T66 WeakPolarHBondContact OD1-CB 3.49Å; D64-T66 PolarHBondContact OD1-N 2.86Å; D64-T66 PolarHBondContact OD1-OG1 3.21Å; T66-L68 VanDerWaalsContact C-N 3.33Å; T66-L68 PolarHBondContact O-N 2.9Å |
| 67 | S | 51.3 | Low | 49.6 | Very low | 98 Ų | 98 | 136.9 Ų | 136.9 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | | | trans | -90.9 | 42.8 | 179.8 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 68 | L | 53.5 | Low | 50.1 | Low | 168 Ų | 168 | 134 Ų | 134 | 88% | 0.88 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -109.8 | 5.9 | 178.7 | -70.7 | -174.5 | 0 | 0 | 0 | 115.3 | T66 | T66-L68 VanDerWaalsContact C-N 3.33Å; T66-L68 PolarHBondContact O-N 2.9Å |
| 69 | L | 51.8 | Low | 50.9 | Low | 169 Ų | 169 | 128.5 Ų | 128.5 | 89% | 0.885 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -139 | 26.3 | -177.8 | -150.4 | 69 | 0 | 0 | 0 | 117.7 | | |
| 70 | S | 36.2 | Very low | 52.1 | Low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | | | trans | -143.1 | 79.3 | 172.6 | 35.6 | 0 | 0 | 0 | 0 | 111.6 | L72 | S70-L72 PolarHBondContact O-N 3.04Š|
| 71 | G | 49.9 | Very low | 54 | Low | 87 Ų | 87 | 127.2 Ų | 127.2 | 90% | 0.897 | 71% | 0.708 | S | S | * | * | | | trans | -67.7 | 61.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 72 | L | 50.7 | Low | 54.5 | Low | 150 Ų | 150 | 122 Ų | 122 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | | | trans | -130.4 | 106.6 | 167.7 | -94.7 | 155.3 | 0 | 0 | 0 | 107.4 | S70 K74 | S70-L72 PolarHBondContact O-N 3.04Å; L72-K74 VanDerWaalsContact C-N 3.29Å; L72-K74 PolarHBondContact O-N 2.86Å |
| 73 | P | 52.8 | Low | 55.6 | Low | 122 Ų | 122 | 117.3 Ų | 117.3 | 79% | 0.792 | 68% | 0.679 | S | S | * | * | | | trans | -66.8 | 97.9 | 170.6 | 28.2 | -31.1 | 0 | 0 | 0 | 106.8 | A75 | P73-A75 PolarHBondContact O-N 3.15Š|
| 74 | K | 58.7 | Low | 56.6 | Low | 202 Ų | 202 | 118.5 Ų | 118.5 | 88% | 0.878 | 68% | 0.682 | S | S | * | * | | | trans | -71.8 | 75.8 | 165.3 | -169 | 156.5 | 171.2 | 69.5 | 0 | 106.6 | L72 D76 | L72-K74 VanDerWaalsContact C-N 3.29Å; L72-K74 PolarHBondContact O-N 2.86Å; K74-D76 PolarHBondContact O-N 2.74Å |
| 75 | A | 57.5 | Low | 57.6 | Low | 68 Ų | 68 | 121.5 Ų | 121.5 | 56% | 0.562 | 69% | 0.69 | S | S | * | * | | | trans | -58.8 | 109.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | P73 | P73-A75 PolarHBondContact O-N 3.15Š|
| 76 | D | 60.1 | Low | 58 | Low | 112 Ų | 112 | 124.6 Ų | 124.6 | 60% | 0.599 | 69% | 0.692 | S | S | * | * | | | trans | -55.8 | 143.1 | 175.8 | -164.6 | -84.4 | 0 | 0 | 0 | 109.1 | K74 G78 H79 | K74-D76 PolarHBondContact O-N 2.74Å; D76-G78 PolarHBondContact O-N 3.36Å; D76-G78 PolarHBondContact OD1-N 3.13Å; D76-H79 HydrophobicContact CB-CB 4.4Å; D76-H79 VanDerWaalsContact O-CB 3.25Å; D76-H79 WeakPolarHBondContact O-CB 3.31Å; D76-H79 PolarHBondContact O-N 3.36Å |
| 77 | P | 61.7 | Low | 58.5 | Low | 112 Ų | 112 | 121.5 Ų | 121.5 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -15.4 | -179.8 | -26.5 | 34.8 | 0 | 0 | 0 | 114.7 | W80 | P77-W80 PolarHBondContact O-NE1 3.41Å; P77-W80 VanDerWaalsContact O-NE1 3.16Å |
| 78 | G | 63.7 | Low | 58.9 | Low | 47 Ų | 47 | 125.7 Ų | 125.7 | 49% | 0.485 | 69% | 0.689 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.3 | -9.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | D76 | D76-G78 PolarHBondContact O-N 3.36Å; D76-G78 PolarHBondContact OD1-N 3.13Å |
| 79 | H | 69.8 | Low | 59 | Low | 112 Ų | 112 | 122 Ų | 122 | 52% | 0.519 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -75.3 | -28.4 | -170.1 | -169.5 | 67.1 | 0 | 0 | 0 | 113.9 | D76 A82 | D76-H79 HydrophobicContact CB-CB 4.4Å; D76-H79 VanDerWaalsContact O-CB 3.25Å; D76-H79 WeakPolarHBondContact O-CB 3.31Å; D76-H79 PolarHBondContact O-N 3.36Å; H79-A82 PolarHBondContact O-N 2.79Å |
| 80 | W | 70.2 | Confident | 59.2 | Low | 146 Ų | 146 | 119.2 Ų | 119.2 | 55% | 0.553 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -73.1 | -30.2 | -173.6 | 69.5 | -73.7 | 0 | 0 | 0 | 114.3 | P77 | P77-W80 PolarHBondContact O-NE1 3.41Å; P77-W80 VanDerWaalsContact O-NE1 3.16Å |
| 81 | W | 70.2 | Confident | 59.8 | Low | 141 Ų | 141 | 119.4 Ų | 119.4 | 53% | 0.534 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -74.5 | -30 | 175.7 | -65.1 | 106.6 | 0 | 0 | 0 | 112.6 | S83 F84 F85 | W81-S83 PolarHBondContact O-N 2.91Å; W81-F84 WeakPolarHBondContact O-CB 3.42Å; W81-F84 PolarHBondContact O-N 3.4Å; W81-F84 VanDerWaalsContact O-N 3.13Å; W81-F85 PolarHBondContact O-N 2.8Å |
| 82 | A | 61.3 | Low | 59.9 | Low | 51 Ų | 51 | 119.4 Ų | 119.4 | 42% | 0.421 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -64.9 | -31.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | H79 F84 F86 | H79-A82 PolarHBondContact O-N 2.79Å; A82-F84 VanDerWaalsContact C-N 3.27Å; A82-F84 PolarHBondContact O-N 2.89Å; A82-F86 WeakPolarHBondContact O-CB 3.44Å; A82-F86 PolarHBondContact O-N 3.32Å |
| 83 | S | 67.5 | Low | 59.8 | Low | 75 Ų | 75 | 119.5 Ų | 119.5 | 52% | 0.524 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -65.8 | -28.4 | 174.6 | -50.4 | 0 | 0 | 0 | 0 | 113.3 | W81 | W81-S83 PolarHBondContact O-N 2.91Å |
| 84 | F | 63.5 | Low | 59.8 | Low | 173 Ų | 173 | 121 Ų | 121 | 76% | 0.759 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -79.2 | -35.8 | 179.8 | -115.5 | -86.5 | 0 | 0 | 0 | 112.9 | W81 A82 | W81-F84 WeakPolarHBondContact O-CB 3.42Å; W81-F84 PolarHBondContact O-N 3.4Å; W81-F84 VanDerWaalsContact O-N 3.13Å; A82-F84 VanDerWaalsContact C-N 3.27Å; A82-F84 PolarHBondContact O-N 2.89Å |
| 85 | F | 60.5 | Low | 59.4 | Low | 174 Ų | 174 | 114.6 Ų | 114.6 | 76% | 0.763 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -93.6 | -42.4 | -178.1 | -78.8 | -81.9 | 0 | 0 | 0 | 113.6 | W81 G87 | W81-F85 PolarHBondContact O-N 2.8Å; F85-G87 VanDerWaalsContact C-N 3.28Å; F85-G87 PolarHBondContact O-N 2.99Å |
| 86 | F | 59.6 | Low | 58.9 | Low | 187 Ų | 187 | 116.3 Ų | 116.3 | 82% | 0.82 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -96 | 67.2 | 178.7 | -104.3 | -91.9 | 0 | 0 | 0 | 109.1 | A82 K88 | A82-F86 WeakPolarHBondContact O-CB 3.44Å; A82-F86 PolarHBondContact O-N 3.32Å; F86-K88 PolarHBondContact O-N 2.84Å |
| 87 | G | 57.6 | Low | 58.2 | Low | 53 Ų | 53 | 117.5 Ų | 117.5 | 55% | 0.546 | 64% | 0.636 | S | S | . | * | | | trans | -41.5 | 103.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F85 S89 | F85-G87 VanDerWaalsContact C-N 3.28Å; F85-G87 PolarHBondContact O-N 2.99Å; G87-S89 PolarHBondContact O-N 3.21Å; G87-S89 VanDerWaalsContact O-N 3.15Å |
| 88 | K | 60.6 | Low | 57.7 | Low | 185 Ų | 185 | 118.3 Ų | 118.3 | 80% | 0.804 | 63% | 0.633 | S | S | * | * | | | trans | -80.8 | 57 | 136 | -151.5 | 161.5 | 70.6 | 177.4 | 0 | 107.9 | F86 T90 | F86-K88 PolarHBondContact O-N 2.84Å; K88-T90 WeakPolarHBondContact CG-OG1 3.25Å; K88-T90 PolarHBondContact O-N 3.31Å |
| 89 | S | 55.6 | Low | 56.8 | Low | 90 Ų | 90 | 123.8 Ų | 123.8 | 63% | 0.629 | 65% | 0.646 | S | S | * | * | | | trans | -57.1 | 59 | 135.6 | 165.3 | 0 | 0 | 0 | 0 | 108.2 | G87 L91 | G87-S89 PolarHBondContact O-N 3.21Å; G87-S89 VanDerWaalsContact O-N 3.15Å; S89-L91 PolarHBondContact O-N 3.3Å |
| 90 | T | 55.6 | Low | 55.5 | Low | 111 Ų | 111 | 123 Ų | 123 | 68% | 0.681 | 65% | 0.654 | S | S | * | * | | | trans | -73.1 | 87.9 | 141.5 | -64.8 | 0 | 0 | 0 | 0 | 102.4 | K88 | K88-T90 WeakPolarHBondContact CG-OG1 3.25Å; K88-T90 PolarHBondContact O-N 3.31Å |
| 91 | L | 48.3 | Very low | 54.7 | Low | 109 Ų | 109 | 119 Ų | 119 | 57% | 0.571 | 65% | 0.652 | S | S | * | * | | | trans | -31.9 | 138.4 | 160.2 | -66.7 | 147.2 | 0 | 0 | 0 | 108.1 | S89 F93 | S89-L91 PolarHBondContact O-N 3.3Å; L91-F93 HydrophobicContact CB-CB 3.53Å; L91-F93 HydrophobicContact CD1-CB 4.14Å; L91-F93 HydrophobicContact CG-CB 4.39Å; L91-F93 PolarHBondContact O-N 3Å |
| 92 | P | 51.8 | Low | 53.5 | Low | 87 Ų | 87 | 120.2 Ų | 120.2 | 57% | 0.565 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -67.9 | 57.9 | 149.7 | 34.7 | -33.8 | 0 | 0 | 0 | 107.3 | M94 A95 T96 | P92-M94 PolarHBondContact O-N 2.85Å; P92-A95 HydrophobicContact CB-CB 4.12Å; P92-T96 PolarHBondContact O-OG1 3.37Å |
| 93 | F | 50.1 | Low | 52.7 | Low | 152 Ų | 152 | 126.7 Ų | 126.7 | 67% | 0.667 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -73.5 | -18.6 | 176.6 | 178.6 | -114.9 | 0 | 0 | 0 | 110.2 | L91 | L91-F93 HydrophobicContact CB-CB 3.53Å; L91-F93 HydrophobicContact CD1-CB 4.14Å; L91-F93 HydrophobicContact CG-CB 4.39Å; L91-F93 PolarHBondContact O-N 3Å |
| 94 | M | 51.5 | Low | 52 | Low | 154 Ų | 154 | 127.3 Ų | 127.3 | 76% | 0.759 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -141 | 32 | 173.9 | -65.1 | -66.4 | 154.5 | 0 | 0 | 112 | P92 | P92-M94 PolarHBondContact O-N 2.85Š|
| 95 | A | 51.9 | Low | 50.7 | Low | 68 Ų | 68 | 125.7 Ų | 125.7 | 56% | 0.562 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -129.6 | 18 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P92 | P92-A95 HydrophobicContact CB-CB 4.12Š|
| 96 | T | 46.5 | Very low | 50 | Low | 103 Ų | 103 | 122.4 Ų | 122.4 | 63% | 0.632 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -129.8 | 13.6 | 172.9 | 7.1 | 0 | 0 | 0 | 0 | 113.8 | P92 | P92-T96 PolarHBondContact O-OG1 3.37Š|
| 97 | V | 45.1 | Very low | 49.5 | Very low | 138 Ų | 138 | 118.7 Ų | 118.7 | 84% | 0.836 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -127.9 | 42.9 | 163.2 | -175 | 0 | 0 | 0 | 0 | 109.4 | | |
| 98 | L | 51.8 | Low | 48.7 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 67% | 0.67 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -141.2 | -25.4 | 159.8 | -163.9 | 59.2 | 0 | 0 | 0 | 112.8 | S100 A101 | L98-S100 PolarHBondContact O-N 3.38Å; L98-A101 HydrophobicContact CD1-CB 4Å; L98-A101 WeakPolarHBondContact O-CB 3.47Å; L98-A101 PolarHBondContact O-N 2.74Å; L98-A101 VanDerWaalsContact O-N 3.11Å |
| 99 | E | 43.1 | Very low | 48.2 | Very low | 162 Ų | 162 | 119.1 Ų | 119.1 | 76% | 0.757 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 42.3 | 158.4 | -158.3 | -142.2 | 115.2 | 0 | 0 | 111.4 | | |
| 100 | S | 44 | Very low | 48.1 | Very low | 97 Ų | 97 | 119.4 Ų | 119.4 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.6 | 19.8 | 155.9 | -172.9 | 0 | 0 | 0 | 0 | 109.7 | L98 | L98-S100 PolarHBondContact O-N 3.38Š|
| 101 | A | 52 | Low | 48.3 | Very low | 62 Ų | 62 | 119.5 Ų | 119.5 | 51% | 0.512 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -114.7 | 9.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L98 | L98-A101 HydrophobicContact CD1-CB 4Å; L98-A101 WeakPolarHBondContact O-CB 3.47Å; L98-A101 PolarHBondContact O-N 2.74Å; L98-A101 VanDerWaalsContact O-N 3.11Å |
| 102 | E | 45 | Very low | 48.3 | Very low | 165 Ų | 165 | 119.5 Ų | 119.5 | 77% | 0.771 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -121.5 | 23.3 | 173 | 44.5 | -176.7 | 87 | 0 | 0 | 113.5 | | |
| 103 | H | 45.9 | Very low | 48.4 | Very low | 188 Ų | 188 | 124.1 Ų | 124.1 | 87% | 0.87 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -131.5 | 23.7 | 157.9 | -144.6 | -76.2 | 0 | 0 | 0 | 114.2 | | |
| 104 | S | 52.2 | Low | 48.6 | Very low | 88 Ų | 88 | 122.7 Ų | 122.7 | 62% | 0.615 | 72% | 0.718 | S | S | * | * | | | trans | -135.6 | 68.3 | 160.9 | 79.4 | 0 | 0 | 0 | 0 | 110.9 | P106 | S104-P106 WeakPolarHBondContact O-CD 3.35Š|
| 105 | E | 35.8 | Very low | 48.5 | Very low | 138 Ų | 138 | 119.8 Ų | 119.8 | 65% | 0.645 | 72% | 0.718 | S | S | * | * | | | trans | -90.2 | 113.2 | 156.1 | -169.7 | -176.3 | 106.1 | 0 | 0 | 108.8 | Q108 | E105-Q108 WeakPolarHBondContact OE1-CG 3.22Å; E105-Q108 PolarHBondContact OE1-NE2 3.22Å |
| 106 | P | 46.1 | Very low | 48.5 | Very low | 105 Ų | 105 | 123.4 Ų | 123.4 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | | | trans | -120.8 | 132.4 | 131.8 | 33 | -23.9 | 0 | 0 | 0 | 107.5 | S104 | S104-P106 WeakPolarHBondContact O-CD 3.35Š|
| 107 | P | 48.3 | Very low | 48.9 | Very low | 109 Ų | 109 | 121.6 Ų | 121.6 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | | | cis | -133.1 | 113 | 42.2 | 28.5 | -6.9 | 0 | 0 | 0 | 112.4 | A109 | P107-A109 PolarHBondContact O-N 3.27Š|
| 108 | Q | 42.3 | Very low | 49.6 | Very low | 153 Ų | 153 | 123.8 Ų | 123.8 | 72% | 0.715 | 75% | 0.746 | S | S | * | * | | | trans | -66.6 | 80 | 159.4 | -81.5 | -71 | -46.8 | 0 | 0 | 109.2 | E105 | E105-Q108 WeakPolarHBondContact OE1-CG 3.22Å; E105-Q108 PolarHBondContact OE1-NE2 3.22Å |
| 109 | A | 49 | Very low | 49.9 | Very low | 94 Ų | 94 | 121.6 Ų | 121.6 | 78% | 0.777 | 75% | 0.746 | S | S | * | * | | | trans | -97.5 | 72.9 | 159 | 0 | 0 | 0 | 0 | 0 | 107.5 | P107 | P107-A109 PolarHBondContact O-N 3.27Š|
| 110 | S | 54.1 | Low | 50.2 | Low | 96 Ų | 96 | 124.6 Ų | 124.6 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -157 | 109 | 156.8 | -164.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 111 | S | 59 | Low | 50 | Low | 113 Ų | 113 | 126.2 Ų | 126.2 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | | | trans | 62.3 | 70.8 | 140.8 | -169.3 | 0 | 0 | 0 | 0 | 117.8 | | |
| 112 | S | 48.1 | Very low | 49.9 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | | -136.2 | 75.4 | 128 | 55.1 | 0 | 0 | 0 | 0 | 109.3 | T114 | S112-T114 PolarHBondContact O-N 2.96Š|
| 113 | M | 54 | Low | 50.4 | Low | 185 Ų | 185 | 125.7 Ų | 125.7 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | | | trans | -69.3 | 79.3 | 157.3 | -175.8 | 163.3 | 73.2 | 0 | 0 | 108 | | |
| 114 | T | 55.2 | Low | 50.5 | Low | 122 Ų | 122 | 127.2 Ų | 127.2 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | -137.5 | 92.2 | 161.7 | 45.1 | 0 | 0 | 0 | 0 | 110.1 | S112 | S112-T114 PolarHBondContact O-N 2.96Š|
| 115 | A | 49.9 | Very low | 50.6 | Low | 92 Ų | 92 | 132.2 Ų | 132.2 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | | | trans | 68.6 | 74 | 145.4 | 0 | 0 | 0 | 0 | 0 | 117 | G117 | A115-G117 PolarHBondContact O-N 3.01Š|
| 116 | C | 50.8 | Low | 51.3 | Low | 144 Ų | 144 | 133.4 Ų | 133.4 | 97% | 0.973 | 78% | 0.778 | S | S | * | * | | | trans | -65.7 | 70.7 | 142.7 | -69.8 | 0 | 0 | 0 | 0 | 109.3 | L118 | C116-L118 VanDerWaalsContact C-N 3.33Š|
| 117 | G | 56.1 | Low | 51.9 | Low | 66 Ų | 66 | 134 Ų | 134 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | | | trans | -96.8 | 46.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A115 A119 | A115-G117 PolarHBondContact O-N 3.01Å; G117-A119 PolarHBondContact O-N 2.96Å |
| 118 | L | 59.1 | Low | 51.6 | Low | 184 Ų | 184 | 133 Ų | 133 | 96% | 0.963 | 79% | 0.791 | S | S | * | * | | | trans | -91.2 | 68.4 | 162.8 | -105.2 | 155.6 | 0 | 0 | 0 | 107.8 | C116 | C116-L118 VanDerWaalsContact C-N 3.33Š|
| 119 | A | 57.2 | Low | 51.8 | Low | 82 Ų | 82 | 129.3 Ų | 129.3 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | | | trans | -109 | 143.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | G117 | G117-A119 PolarHBondContact O-N 2.96Š|
| 120 | R | 49.3 | Very low | 51.7 | Low | 225 Ų | 225 | 133.9 Ų | 133.9 | 85% | 0.849 | 80% | 0.8 | S | S | * | * | | | trans | 98.3 | 123.3 | 172.6 | -52.5 | -176.9 | 107.7 | 154.7 | 9.6 | 113.5 | | |
| 121 | D | 40.4 | Very low | 51.6 | Low | 130 Ų | 130 | 134.6 Ų | 134.6 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | | | cis | -169.7 | 142.8 | 5.6 | -128.5 | -61.8 | 0 | 0 | 0 | 109.2 | | |
| 122 | A | 49.6 | Very low | 50.9 | Low | 80 Ų | 80 | 133.8 Ų | 133.8 | 66% | 0.661 | 80% | 0.799 | S | S | * | * | | | trans | 47.2 | 140.7 | 151.8 | 0 | 0 | 0 | 0 | 0 | 124.6 | | |
| 123 | P | 55.4 | Low | 50.9 | Low | 136 Ų | 136 | 135.5 Ų | 135.5 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | | | trans | -82.2 | 113.2 | 168.9 | 33.1 | -30.7 | 0 | 0 | 0 | 111.3 | | |
| 124 | R | 49.1 | Very low | 50 | Low | 220 Ų | 220 | 131.2 Ų | 131.2 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | | | trans | -116.5 | 101.2 | 169.2 | -154.3 | 177.8 | -168.7 | -122.8 | 4.4 | 111.2 | | |
| 125 | K | 54.8 | Low | 49.9 | Very low | 194 Ų | 194 | 131.2 Ų | 131.2 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | | | trans | -45.7 | 132.3 | 155.6 | -76.6 | -93.9 | -175.6 | -178.1 | 0 | 109.7 | | |
| 126 | Q | 49 | Very low | 49.8 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | | | trans | -148.2 | 134 | 131.1 | -94.3 | -159.2 | -72.5 | 0 | 0 | 111.7 | | |
| 127 | P | 58.3 | Low | 50.1 | Low | 117 Ų | 117 | 128 Ų | 128 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | trans | -89.7 | 154.8 | 176.4 | 36.3 | -31.5 | 0 | 0 | 0 | 111.1 | | |
| 128 | G | 43.8 | Very low | 49.9 | Very low | 87 Ų | 87 | 130.9 Ų | 130.9 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | | | trans | 123 | 112.6 | 158 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 129 | G | 44.7 | Very low | 49.6 | Very low | 77 Ų | 77 | 128.1 Ų | 128.1 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | | | trans | 155.5 | 56.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S131 | G129-S131 PolarHBondContact O-N 3.01Š|
| 130 | Q | 48.3 | Very low | 49.2 | Very low | 190 Ų | 190 | 133.7 Ų | 133.7 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | | | trans | -64.1 | 119.7 | 173.2 | -67.3 | -165.6 | -62.4 | 0 | 0 | 109.5 | | |
| 131 | S | 50.9 | Low | 49.2 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 78% | 0.776 | 83% | 0.828 | S | S | * | * | | | trans | -88.4 | 105.5 | 157.7 | 172.5 | 0 | 0 | 0 | 0 | 107.1 | G129 | G129-S131 PolarHBondContact O-N 3.01Š|
| 132 | S | 45.6 | Very low | 49.7 | Very low | 96 Ų | 96 | 129.1 Ų | 129.1 | 67% | 0.671 | 84% | 0.835 | S | S | * | * | | | trans | -148.8 | 94.8 | 167.4 | -55.4 | 0 | 0 | 0 | 0 | 108.1 | A134 | S132-A134 PolarHBondContact O-N 2.81Š|
| 133 | T | 47.7 | Very low | 49.7 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 88% | 0.883 | 85% | 0.845 | S | S | * | * | | | trans | -58.1 | 110.9 | 164.8 | -36 | 0 | 0 | 0 | 0 | 108.2 | | |
| 134 | A | 34.9 | Very low | 49.4 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 79% | 0.793 | 84% | 0.843 | S | S | * | * | | | trans | -132.9 | 102.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | S132 | S132-A134 PolarHBondContact O-N 2.81Š|
| 135 | S | 53.6 | Low | 49.4 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 85% | 0.853 | 84% | 0.843 | S | S | * | * | | | trans | -77.9 | 127.6 | 166.1 | 171.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 136 | A | 48 | Very low | 49 | Very low | 94 Ų | 94 | 121.5 Ų | 121.5 | 78% | 0.777 | 84% | 0.843 | S | S | * | * | | | trans | 153.7 | 112.6 | 136.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 137 | G | 56.1 | Low | 49 | Very low | 74 Ų | 74 | 118.6 Ų | 118.6 | 76% | 0.763 | 85% | 0.849 | S | S | * | * | | | trans | 42.9 | 137.2 | 142.6 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 138 | P | 52 | Low | 48.3 | Very low | 127 Ų | 127 | 118.7 Ų | 118.7 | 83% | 0.825 | 86% | 0.856 | S | S | * | * | | | trans | -84.4 | 146.5 | 176.4 | 34.9 | -32.1 | 0 | 0 | 0 | 112.7 | | |
| 139 | P | 53.1 | Low | 48.7 | Very low | 126 Ų | 126 | 121.3 Ų | 121.3 | 82% | 0.818 | 85% | 0.853 | S | S | * | * | | | trans | -92 | 145 | 166.6 | 33.9 | -29 | 0 | 0 | 0 | 112.1 | | |
| 140 | S | 49.5 | Very low | 49.1 | Very low | 199 Ų | 199 | 125.4 Ų | 125.4 | 100% | 1.392 | 86% | 0.858 | S | S | * | * | | | trans | -86.9 | 0 | 158.9 | -59.4 | 0 | 0 | 0 | 0 | 110.6 | | |