| 1 | M | 49.3 | Very low | 56.7 | Low | 228 Ų | 228 | 129.3 Ų | 129.3 | 100% | 1.123 | 65% | 0.647 | S | S | * | * | | | | 0 | 50.6 | 0 | -65.6 | 159.6 | 99.4 | 0 | 0 | 111.6 | | |
| 2 | E | 57.3 | Low | 57.5 | Low | 130 Ų | 130 | 124.6 Ų | 124.6 | 61% | 0.607 | 64% | 0.636 | S | S | * | * | | | trans | -110.2 | -10.2 | -167.6 | -77.3 | 89.6 | 97.1 | 0 | 0 | 115.7 | R4 M5 | E2-R4 PolarHBondContact O-N 2.86Å; E2-M5 HydrophobicContact CB-CE 4.46Å; E2-M5 HydrophobicContact CG-CE 4.26Å; E2-M5 VanDerWaalsContact O-CG 3.24Å; E2-M5 WeakPolarHBondContact O-CG 3.44Å |
| 3 | S | 53.2 | Low | 58 | Low | 104 Ų | 104 | 124.8 Ų | 124.8 | 73% | 0.727 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -3.5 | -167.4 | -29.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 4 | R | 55.5 | Low | 58.4 | Low | 233 Ų | 233 | 123.1 Ų | 123.1 | 88% | 0.879 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -8 | -172.7 | -83.5 | -175.7 | 171.2 | 177.6 | -4.3 | 116 | E2 | E2-R4 PolarHBondContact O-N 2.86Š|
| 5 | M | 52.5 | Low | 58.9 | Low | 105 Ų | 105 | 122.6 Ų | 122.6 | 52% | 0.517 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -82.5 | -23.3 | -175.8 | 43.9 | 175 | 80.6 | 0 | 0 | 114.2 | E2 A8 L9 | E2-M5 HydrophobicContact CB-CE 4.46Å; E2-M5 HydrophobicContact CG-CE 4.26Å; E2-M5 VanDerWaalsContact O-CG 3.24Å; E2-M5 WeakPolarHBondContact O-CG 3.44Å; M5-A8 PolarHBondContact O-N 3.15Å; M5-L9 PolarHBondContact O-N 3.46Å |
| 6 | W | 56.3 | Low | 59.3 | Low | 186 Ų | 186 | 119.6 Ų | 119.6 | 71% | 0.705 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.5 | -42.6 | -175.6 | -73.8 | 64.4 | 0 | 0 | 0 | 114.9 | A8 L9 L10 | W6-A8 VanDerWaalsContact C-N 3.32Å; W6-A8 PolarHBondContact O-N 3.14Å; W6-L9 PolarHBondContact O-N 2.82Å; W6-L10 PolarHBondContact O-N 3.3Å |
| 7 | P | 56.5 | Low | 59.4 | Low | 87 Ų | 87 | 118.3 Ų | 118.3 | 57% | 0.565 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.7 | -37.2 | 175.8 | -21.4 | 33.6 | 0 | 0 | 0 | 112.6 | L11 | P7-L11 WeakPolarHBondContact O-CB 3.27Å; P7-L11 PolarHBondContact O-N 3.35Å |
| 8 | A | 56.5 | Low | 59.7 | Low | 56 Ų | 56 | 121 Ų | 121 | 46% | 0.463 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.8 | -37.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | M5 W6 S12 | M5-A8 PolarHBondContact O-N 3.15Å; W6-A8 VanDerWaalsContact C-N 3.32Å; W6-A8 PolarHBondContact O-N 3.14Å; A8-S12 VanDerWaalsContact O-CB 3.27Å; A8-S12 WeakPolarHBondContact O-CB 3.45Å; A8-S12 PolarHBondContact O-N 3Å; A8-S12 PolarHBondContact O-OG 2.89Å |
| 9 | L | 60.4 | Low | 59.7 | Low | 90 Ų | 90 | 118.5 Ų | 118.5 | 47% | 0.471 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.2 | -48.2 | 172.5 | -78.7 | 161.1 | 0 | 0 | 0 | 112 | M5 W6 L11 S12 H13 | M5-L9 PolarHBondContact O-N 3.46Å; W6-L9 PolarHBondContact O-N 2.82Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.04Å; L9-S12 CarbonylContact O-C 3.56Å; L9-S12 PolarHBondContact O-N 3.02Å; L9-S12 VanDerWaalsContact O-N 3.13Å; L9-H13 PolarHBondContact O-CD2 3.19Å; L9-H13 PolarHBondContact O-N 3.14Å |
| 10 | L | 63.2 | Low | 59.8 | Low | 94 Ų | 94 | 118.3 Ų | 118.3 | 49% | 0.492 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -59.7 | -42.8 | 176.2 | -84.5 | 158.5 | 0 | 0 | 0 | 112.3 | W6 S12 H13 L14 | W6-L10 PolarHBondContact O-N 3.3Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3.05Å; L10-H13 PolarHBondContact O-N 2.98Å; L10-L14 WeakPolarHBondContact O-CG 3.41Å; L10-L14 PolarHBondContact O-N 3.2Å |
| 11 | L | 63 | Low | 59.8 | Low | 109 Ų | 109 | 118.1 Ų | 118.1 | 57% | 0.571 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.7 | -36.8 | 175.6 | -161.6 | 66.9 | 0 | 0 | 0 | 111.5 | P7 L9 H13 L14 L15 | P7-L11 WeakPolarHBondContact O-CB 3.27Å; P7-L11 PolarHBondContact O-N 3.35Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.04Å; L11-H13 VanDerWaalsContact C-N 3.34Å; L11-H13 PolarHBondContact O-N 3.22Å; L11-L14 PolarHBondContact O-N 3.18Å; L11-L15 HydrophobicContact CD1-CD1 4.49Å; L11-L15 HydrophobicContact CG-CD1 4Å; L11-L15 VanDerWaalsContact O-CD1 3.27Å; L11-L15 WeakPolarHBondContact O-CD1 3.05Å; L11-L15 PolarHBondContact O-N 3.36Å |
| 12 | S | 65.6 | Low | 60.2 | Low | 73 Ų | 73 | 112.8 Ų | 112.8 | 51% | 0.51 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -71.2 | -24.7 | 176 | -58.2 | 0 | 0 | 0 | 0 | 113.6 | A8 L9 L10 P16 | A8-S12 VanDerWaalsContact O-CB 3.27Å; A8-S12 WeakPolarHBondContact O-CB 3.45Å; A8-S12 PolarHBondContact O-N 3Å; A8-S12 PolarHBondContact O-OG 2.89Å; L9-S12 CarbonylContact O-C 3.56Å; L9-S12 PolarHBondContact O-N 3.02Å; L9-S12 VanDerWaalsContact O-N 3.13Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 3.05Å; S12-P16 WeakPolarHBondContact O-CD 3.21Å |
| 13 | H | 64.9 | Low | 60.2 | Low | 128 Ų | 128 | 111.3 Ų | 111.3 | 59% | 0.593 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -80.3 | -27.6 | 170.2 | -74.1 | -62.1 | 0 | 0 | 0 | 112.8 | L9 L10 L11 P16 | L9-H13 PolarHBondContact O-CD2 3.19Å; L9-H13 PolarHBondContact O-N 3.14Å; L10-H13 PolarHBondContact O-N 2.98Å; L11-H13 VanDerWaalsContact C-N 3.34Å; L11-H13 PolarHBondContact O-N 3.22Å; H13-P16 WeakPolarHBondContact O-CD 3.47Å; H13-P16 WeakPolarHBondContact O-CG 3.31Å |
| 14 | L | 63.5 | Low | 60.3 | Low | 101 Ų | 101 | 110.9 Ų | 110.9 | 53% | 0.529 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -83.9 | -32 | 176.5 | -73.8 | 165.6 | 0 | 0 | 0 | 113.6 | L10 L11 L17 W18 | L10-L14 WeakPolarHBondContact O-CG 3.41Å; L10-L14 PolarHBondContact O-N 3.2Å; L11-L14 PolarHBondContact O-N 3.18Å; L14-L17 HydrophobicContact CD2-CD1 4.33Å; L14-L17 WeakPolarHBondContact O-CB 3.25Å; L14-L17 PolarHBondContact O-N 3.04Å; L14-W18 PolarHBondContact O-N 3.04Å |
| 15 | L | 65.6 | Low | 60.4 | Low | 115 Ų | 115 | 106.4 Ų | 106.4 | 60% | 0.602 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.3 | -46.4 | 174.8 | -110.8 | 73.9 | 0 | 0 | 0 | 114.5 | L11 L17 W18 P19 | L11-L15 HydrophobicContact CD1-CD1 4.49Å; L11-L15 HydrophobicContact CG-CD1 4Å; L11-L15 VanDerWaalsContact O-CD1 3.27Å; L11-L15 WeakPolarHBondContact O-CD1 3.05Å; L11-L15 PolarHBondContact O-N 3.36Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-W18 WeakPolarHBondContact O-CB 3.25Å; L15-W18 PolarHBondContact O-N 3.31Å; L15-P19 WeakPolarHBondContact O-CD 3.42Å |
| 16 | P | 65.5 | Low | 60.4 | Low | 74 Ų | 74 | 106 Ų | 106 | 48% | 0.481 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.3 | -16.6 | 176.8 | 29.9 | -36.1 | 0 | 0 | 0 | 113.7 | S12 H13 P19 | S12-P16 WeakPolarHBondContact O-CD 3.21Å; H13-P16 WeakPolarHBondContact O-CD 3.47Å; H13-P16 WeakPolarHBondContact O-CG 3.31Å; P16-P19 WeakPolarHBondContact O-CD 3.49Å; P16-P19 WeakPolarHBondContact O-CG 3.42Å |
| 17 | L | 61.7 | Low | 60.2 | Low | 98 Ų | 98 | 102 Ų | 102 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -78.2 | -26.3 | 170.9 | -77.6 | 165.3 | 0 | 0 | 0 | 112.3 | L14 L15 L20 L21 | L14-L17 HydrophobicContact CD2-CD1 4.33Å; L14-L17 WeakPolarHBondContact O-CB 3.25Å; L14-L17 PolarHBondContact O-N 3.04Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L17-L20 HydrophobicContact CD2-CD1 4.27Å; L17-L20 WeakPolarHBondContact O-CB 3.39Å; L17-L20 PolarHBondContact O-N 3.24Å; L17-L20 VanDerWaalsContact O-N 3.12Å; L17-L21 WeakPolarHBondContact O-CB 3.28Å; L17-L21 PolarHBondContact O-N 3.33Å |
| 18 | W | 64.9 | Low | 59.8 | Low | 167 Ų | 167 | 103.6 Ų | 103.6 | 63% | 0.633 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -55.9 | -50.4 | 176.5 | -167.1 | -104.4 | 0 | 0 | 0 | 114.1 | L14 L15 L20 L21 L22 | L14-W18 PolarHBondContact O-N 3.04Å; L15-W18 WeakPolarHBondContact O-CB 3.25Å; L15-W18 PolarHBondContact O-N 3.31Å; W18-L20 VanDerWaalsContact C-N 3.29Å; W18-L20 PolarHBondContact O-N 3.25Å; W18-L21 PolarHBondContact O-N 2.67Å; W18-L22 HydrophobicContact CD2-CD1 4.5Å; W18-L22 HydrophobicContact CG-CD1 4.42Å; W18-L22 HydrophobicContact CZ2-CD1 4.38Å; W18-L22 VanDerWaalsContact NE1-CD1 3.26Å; W18-L22 WeakPolarHBondContact O-CB 3.3Å; W18-L22 PolarHBondContact O-N 3.37Å |
| 19 | P | 59.7 | Low | 59.1 | Low | 74 Ų | 74 | 105.3 Ų | 105.3 | 48% | 0.481 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.6 | -21.2 | 174.5 | 28.4 | -35.8 | 0 | 0 | 0 | 113.6 | L15 P16 L23 | L15-P19 WeakPolarHBondContact O-CD 3.42Å; P16-P19 WeakPolarHBondContact O-CD 3.49Å; P16-P19 WeakPolarHBondContact O-CG 3.42Å; P19-L23 VanDerWaalsContact O-CB 3.28Å; P19-L23 WeakPolarHBondContact O-CB 3.17Å; P19-L23 PolarHBondContact O-N 3.32Å |
| 20 | L | 60.8 | Low | 58.2 | Low | 113 Ų | 113 | 110.9 Ų | 110.9 | 59% | 0.592 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.6 | -33.3 | 171 | -83.3 | 160.9 | 0 | 0 | 0 | 112.2 | L17 W18 | L17-L20 HydrophobicContact CD2-CD1 4.27Å; L17-L20 WeakPolarHBondContact O-CB 3.39Å; L17-L20 PolarHBondContact O-N 3.24Å; L17-L20 VanDerWaalsContact O-N 3.12Å; W18-L20 VanDerWaalsContact C-N 3.29Å; W18-L20 PolarHBondContact O-N 3.25Å |
| 21 | L | 59.6 | Low | 56.8 | Low | 115 Ų | 115 | 109.3 Ų | 109.3 | 60% | 0.602 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -77.3 | -34.1 | 176.2 | -158.9 | 78.5 | 0 | 0 | 0 | 112.2 | L17 W18 L192 | L17-L21 WeakPolarHBondContact O-CB 3.28Å; L17-L21 PolarHBondContact O-N 3.33Å; W18-L21 PolarHBondContact O-N 2.67Å; L21-L192 HydrophobicContact CD1-CD2 4.05Å |
| 22 | L | 57.6 | Low | 55.5 | Low | 117 Ų | 117 | 109.9 Ų | 109.9 | 61% | 0.613 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -85.7 | -9.7 | 173.8 | -77.8 | 174.4 | 0 | 0 | 0 | 113.9 | W18 P24 | W18-L22 HydrophobicContact CD2-CD1 4.5Å; W18-L22 HydrophobicContact CG-CD1 4.42Å; W18-L22 HydrophobicContact CZ2-CD1 4.38Å; W18-L22 VanDerWaalsContact NE1-CD1 3.26Å; W18-L22 WeakPolarHBondContact O-CB 3.3Å; W18-L22 PolarHBondContact O-N 3.37Å; L22-P24 WeakPolarHBondContact O-CD 3.21Å; L22-P24 VanDerWaalsContact O-N 3.15Å |
| 23 | L | 58.3 | Low | 54.3 | Low | 98 Ų | 98 | 111.6 Ų | 111.6 | 51% | 0.513 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -65.5 | 117 | 175.2 | -146.5 | 68.4 | 0 | 0 | 0 | 107.7 | P19 L25 | P19-L23 VanDerWaalsContact O-CB 3.28Å; P19-L23 WeakPolarHBondContact O-CB 3.17Å; P19-L23 PolarHBondContact O-N 3.32Å; L23-L25 PolarHBondContact O-N 2.91Å |
| 24 | P | 55.7 | Low | 53.2 | Low | 96 Ų | 96 | 110.7 Ų | 110.7 | 62% | 0.623 | 65% | 0.653 | S | S | * | * | | | trans | -61 | 114.2 | 166.7 | 26.6 | -31.1 | 0 | 0 | 0 | 105.8 | L22 P26 | L22-P24 WeakPolarHBondContact O-CD 3.21Å; L22-P24 VanDerWaalsContact O-N 3.15Å; P24-P26 WeakPolarHBondContact O-CD 3.26Å |
| 25 | L | 56.7 | Low | 52 | Low | 139 Ų | 139 | 111.4 Ų | 111.4 | 73% | 0.728 | 67% | 0.666 | S | S | * | * | | | trans | -45 | 117.7 | 179.8 | -110.5 | 72.9 | 0 | 0 | 0 | 107.6 | L23 | L23-L25 PolarHBondContact O-N 2.91Š|
| 26 | P | 53.2 | Low | 51 | Low | 97 Ų | 97 | 111 Ų | 111 | 63% | 0.63 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 134.1 | -178.5 | 21.6 | -31.6 | 0 | 0 | 0 | 107.2 | P24 | P24-P26 WeakPolarHBondContact O-CD 3.26Š|
| 27 | P | 50.8 | Low | 49.9 | Very low | 101 Ų | 101 | 118.6 Ų | 118.6 | 66% | 0.656 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -53 | 137.5 | 177.8 | 24.2 | -33.7 | 0 | 0 | 0 | 107.7 | A29 | P27-A29 PolarHBondContact O-N 3.25Š|
| 28 | P | 48.1 | Very low | 49.2 | Very low | 120 Ų | 120 | 120.5 Ų | 120.5 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 117.3 | -170.1 | 20.8 | -33.5 | 0 | 0 | 0 | 109 | Q30 | P28-Q30 PolarHBondContact O-N 3.18Š|
| 29 | A | 43.3 | Very low | 48.8 | Very low | 93 Ų | 93 | 117.5 Ų | 117.5 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | | | trans | -62.8 | 101.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | P27 G31 | P27-A29 PolarHBondContact O-N 3.25Å; A29-G31 PolarHBondContact O-N 3.36Å |
| 30 | Q | 41.4 | Very low | 48.7 | Very low | 207 Ų | 207 | 119.9 Ų | 119.9 | 97% | 0.967 | 72% | 0.723 | S | S | * | * | | | trans | -70.1 | 71.7 | 164.8 | -67.9 | -173 | -8.2 | 0 | 0 | 107.6 | P28 | P28-Q30 PolarHBondContact O-N 3.18Š|
| 31 | G | 33.2 | Very low | 48.5 | Very low | 60 Ų | 60 | 118.8 Ų | 118.8 | 62% | 0.619 | 73% | 0.73 | S | S | * | * | | | trans | -153.5 | 16.8 | -158 | 0 | 0 | 0 | 0 | 0 | 115.7 | A29 | A29-G31 PolarHBondContact O-N 3.36Š|
| 32 | S | 36.2 | Very low | 48.4 | Very low | 121 Ų | 121 | 119.3 Ų | 119.3 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | | | trans | -143.6 | 52.4 | 167.6 | -76 | 0 | 0 | 0 | 0 | 111.3 | S34 | S32-S34 PolarHBondContact O-N 3.16Š|
| 33 | S | 39.6 | Very low | 48.3 | Very low | 110 Ų | 110 | 118.3 Ų | 118.3 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | | | trans | -87.8 | 87.7 | 162.5 | 174.4 | 0 | 0 | 0 | 0 | 108.5 | S35 | S33-S35 PolarHBondContact O-N 3.4Š|
| 34 | S | 42.9 | Very low | 48.1 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | | | trans | -51.5 | 123.5 | 165.5 | 43.2 | 0 | 0 | 0 | 0 | 109.6 | S32 P36 | S32-S34 PolarHBondContact O-N 3.16Å; S34-P36 WeakPolarHBondContact O-CD 3.47Å |
| 35 | S | 37.3 | Very low | 48.1 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -55.4 | 127 | -168.9 | -178.6 | 0 | 0 | 0 | 0 | 114.2 | S33 | S33-S35 PolarHBondContact O-N 3.4Š|
| 36 | P | 44.9 | Very low | 48.2 | Very low | 107 Ų | 107 | 124.8 Ų | 124.8 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | | | trans | -124.2 | 100 | 154.7 | 28.8 | -7.7 | 0 | 0 | 0 | 109.4 | S34 | S34-P36 WeakPolarHBondContact O-CD 3.47Š|
| 37 | R | 42.8 | Very low | 48 | Very low | 233 Ų | 233 | 126.2 Ų | 126.2 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | | | trans | 32.6 | 104.9 | 161.9 | -66.8 | 180 | 179.8 | 176.3 | 0 | 116.6 | P39 | R37-P39 WeakPolarHBondContact O-CD 3.25Å; R37-P39 VanDerWaalsContact O-N 3.08Å |
| 38 | T | 47.3 | Very low | 48 | Very low | 139 Ų | 139 | 126 Ų | 126 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | trans | -45.4 | 113.2 | 162.9 | -27.6 | 0 | 0 | 0 | 0 | 111 | | |
| 39 | P | 56.5 | Low | 48 | Very low | 104 Ų | 104 | 132 Ų | 132 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 147.2 | 162.1 | 31 | -31.8 | 0 | 0 | 0 | 108.2 | R37 | R37-P39 WeakPolarHBondContact O-CD 3.25Å; R37-P39 VanDerWaalsContact O-N 3.08Å |
| 40 | P | 56.6 | Low | 48.1 | Very low | 124 Ų | 124 | 131 Ų | 131 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 147.4 | 177.9 | 26.5 | -34.2 | 0 | 0 | 0 | 110.6 | | |
| 41 | A | 55.9 | Low | 48.4 | Very low | 90 Ų | 90 | 123.8 Ų | 123.8 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 141.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A43 | A41-A43 PolarHBondContact O-N 3.12Š|
| 42 | P | 58 | Low | 49.2 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 128.9 | 178.7 | 24.9 | -33.6 | 0 | 0 | 0 | 109.6 | R44 | P42-R44 PolarHBondContact O-N 3.08Š|
| 43 | A | 54.8 | Low | 50 | Low | 97 Ų | 97 | 127.7 Ų | 127.7 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -55 | 130.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | A41 | A41-A43 PolarHBondContact O-N 3.12Š|
| 44 | R | 55 | Low | 50.3 | Low | 232 Ų | 232 | 126.5 Ų | 126.5 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 128.1 | 171.3 | -71.8 | -179.4 | 174.6 | -177.5 | -1.7 | 108 | P42 | P42-R44 PolarHBondContact O-N 3.08Š|
| 45 | P | 55.5 | Low | 50.6 | Low | 108 Ų | 108 | 127 Ų | 127 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 139 | 171.8 | 26.6 | -33.2 | 0 | 0 | 0 | 108.6 | C47 | P45-C47 PolarHBondContact O-N 3.49Å; P45-C47 VanDerWaalsContact O-N 3.14Å |
| 46 | P | 59.9 | Low | 51.3 | Low | 128 Ų | 128 | 132.3 Ų | 132.3 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 116.8 | 177.7 | 26.7 | -32.8 | 0 | 0 | 0 | 108.9 | A48 | P46-A48 PolarHBondContact O-N 3.5Š|
| 47 | C | 47.9 | Very low | 51.6 | Low | 127 Ų | 127 | 136.3 Ų | 136.3 | 86% | 0.858 | 80% | 0.803 | S | S | * | * | | | trans | -64 | 98.5 | 169.2 | -65.8 | 0 | 0 | 0 | 0 | 108.5 | P45 R49 | P45-C47 PolarHBondContact O-N 3.49Å; P45-C47 VanDerWaalsContact O-N 3.14Å; C47-R49 PolarHBondContact O-N 2.94Å |
| 48 | A | 50.9 | Low | 52 | Low | 97 Ų | 97 | 130.8 Ų | 130.8 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | | | trans | -56.1 | 123.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | P46 G50 | P46-A48 PolarHBondContact O-N 3.5Å; A48-G50 VanDerWaalsContact C-N 3.26Å; A48-G50 PolarHBondContact O-N 3.42Å |
| 49 | R | 49.2 | Very low | 52.4 | Low | 246 Ų | 246 | 129 Ų | 129 | 93% | 0.928 | 79% | 0.787 | S | S | * | * | | | trans | -73.3 | 79.3 | -174.6 | -166.7 | 179.5 | -163.5 | 164.9 | 3.9 | 109.8 | C47 G51 | C47-R49 PolarHBondContact O-N 2.94Å; R49-G51 PolarHBondContact O-N 2.93Å |
| 50 | G | 44.6 | Very low | 52.5 | Low | 72 Ų | 72 | 129.8 Ų | 129.8 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | | | trans | -53.5 | 128.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | A48 | A48-G50 VanDerWaalsContact C-N 3.26Å; A48-G50 PolarHBondContact O-N 3.42Å |
| 51 | G | 47.8 | Very low | 52.4 | Low | 56 Ų | 56 | 135.3 Ų | 135.3 | 58% | 0.577 | 80% | 0.795 | S | S | * | * | | | trans | -67.8 | 166.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R49 S53 | R49-G51 PolarHBondContact O-N 2.93Å; G51-S53 VanDerWaalsContact C-N 3.32Å; G51-S53 PolarHBondContact O-N 3Å |
| 52 | P | 50 | Low | 52.4 | Low | 139 Ų | 139 | 139.6 Ų | 139.6 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 73.5 | -172.8 | 33.6 | -37.3 | 0 | 0 | 0 | 112.6 | | |
| 53 | S | 52 | Low | 52 | Low | 124 Ų | 124 | 144.8 Ų | 144.8 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.7 | 2.8 | 172.6 | -97.4 | 0 | 0 | 0 | 0 | 116.4 | G51 | G51-S53 VanDerWaalsContact C-N 3.32Å; G51-S53 PolarHBondContact O-N 3Å |
| 54 | A | 46.1 | Very low | 52 | Low | 84 Ų | 84 | 144 Ų | 144 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | | | trans | -115.2 | 117.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | R56 | A54-R56 PolarHBondContact O-N 3.07Š|
| 55 | P | 48.9 | Very low | 52.4 | Low | 119 Ų | 119 | 138.3 Ų | 138.3 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -75.3 | 125.2 | 171.9 | 30.1 | -31.3 | 0 | 0 | 0 | 109.9 | | |
| 56 | R | 51.8 | Low | 52.8 | Low | 227 Ų | 227 | 138.6 Ų | 138.6 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 84.5 | 109.8 | 177.8 | -52 | 177.5 | 175.8 | -150.4 | -5.3 | 115.3 | A54 V58 | A54-R56 PolarHBondContact O-N 3.07Å; R56-V58 PolarHBondContact O-N 3.07Å; R56-V58 VanDerWaalsContact O-N 3.14Å |
| 57 | H | 52.6 | Low | 52.8 | Low | 191 Ų | 191 | 138.5 Ų | 138.5 | 88% | 0.884 | 79% | 0.79 | S | S | * | * | | | trans | -60.9 | 108.6 | 160.7 | -78.6 | -98.8 | 0 | 0 | 0 | 110.1 | | |
| 58 | V | 51.7 | Low | 52.8 | Low | 117 Ų | 117 | 138.2 Ų | 138.2 | 71% | 0.709 | 79% | 0.79 | S | S | * | * | | | trans | -98.4 | 97.2 | 167.8 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | R56 V60 | R56-V58 PolarHBondContact O-N 3.07Å; R56-V58 VanDerWaalsContact O-N 3.14Å; V58-V60 VanDerWaalsContact C-N 3.35Å; V58-V60 HydrophobicContact CG1-CG2 4Å; V58-V60 PolarHBondContact O-N 3Å |
| 59 | C | 55.5 | Low | 52.6 | Low | 101 Ų | 101 | 144.8 Ų | 144.8 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | | | trans | -72.9 | 91.3 | 169 | -64.7 | 0 | 0 | 0 | 0 | 108.9 | W61 | C59-W61 PolarHBondContact O-N 3.34Š|
| 60 | V | 56.9 | Low | 52.5 | Low | 122 Ų | 122 | 138 Ų | 138 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | | | trans | -67 | 103.6 | 171.5 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | V58 E62 | V58-V60 VanDerWaalsContact C-N 3.35Å; V58-V60 HydrophobicContact CG1-CG2 4Å; V58-V60 PolarHBondContact O-N 3Å; V60-E62 VanDerWaalsContact C-N 3.33Å; V60-E62 PolarHBondContact O-N 3.09Å |
| 61 | W | 55.4 | Low | 52.8 | Low | 240 Ų | 240 | 139.9 Ų | 139.9 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | trans | -72.5 | 93.2 | 164.5 | -80.6 | 75.4 | 0 | 0 | 0 | 108 | C59 R63 | C59-W61 PolarHBondContact O-N 3.34Å; W61-R63 PolarHBondContact O-N 2.95Å |
| 62 | E | 55.1 | Low | 52.7 | Low | 179 Ų | 179 | 148.2 Ų | 148.2 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | | | trans | -62.6 | 109.1 | 167.6 | -164 | 177.4 | 179.5 | 0 | 0 | 108 | V60 A64 | V60-E62 VanDerWaalsContact C-N 3.33Å; V60-E62 PolarHBondContact O-N 3.09Å; E62-A64 PolarHBondContact O-N 3.18Å |
| 63 | R | 51 | Low | 52.8 | Low | 235 Ų | 235 | 146.7 Ų | 146.7 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | | | trans | -68.4 | 103.5 | -178 | 173.5 | 176 | -91.7 | 149.6 | -7.3 | 107.7 | W61 | W61-R63 PolarHBondContact O-N 2.95Š|
| 64 | A | 53.5 | Low | 52.3 | Low | 81 Ų | 81 | 146.8 Ų | 146.8 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | | | trans | -45.5 | 131.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E62 | E62-A64 PolarHBondContact O-N 3.18Š|
| 65 | P | 64.9 | Low | 52.3 | Low | 112 Ų | 112 | 153.2 Ų | 153.2 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 145.1 | -178.1 | 24.6 | -33.5 | 0 | 0 | 0 | 110.1 | | |
| 66 | P | 62.9 | Low | 52 | Low | 113 Ų | 113 | 152.6 Ų | 152.6 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 142.7 | 177.8 | 26.3 | -34.3 | 0 | 0 | 0 | 109.7 | S68 | P66-S68 PolarHBondContact O-N 2.92Š|
| 67 | P | 59.5 | Low | 51.3 | Low | 126 Ų | 126 | 152.7 Ų | 152.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 128 | -177.7 | 22.4 | -33.1 | 0 | 0 | 0 | 109.9 | R69 | P67-R69 PolarHBondContact O-N 3.09Š|
| 68 | S | 48.2 | Very low | 50.8 | Low | 121 Ų | 121 | 154.2 Ų | 154.2 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 122.6 | -175.4 | 35.6 | 0 | 0 | 0 | 0 | 110.5 | P66 S70 | P66-S68 PolarHBondContact O-N 2.92Å; S68-S70 PolarHBondContact O-N 3.33Å |
| 69 | R | 47.1 | Very low | 50.3 | Low | 235 Ų | 235 | 156.6 Ų | 156.6 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -57 | 124.6 | 171.3 | -88.7 | -179.3 | 168.2 | 170.2 | -3.7 | 108.5 | P67 | P67-R69 PolarHBondContact O-N 3.09Š|
| 70 | S | 47.1 | Very low | 49.7 | Very low | 103 Ų | 103 | 157.8 Ų | 157.8 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | trans | -46 | 140.5 | 174.4 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | S68 R72 | S68-S70 PolarHBondContact O-N 3.33Å; S70-R72 PolarHBondContact O-N 2.75Å |
| 71 | P | 50.8 | Low | 49.1 | Very low | 113 Ų | 113 | 159.2 Ų | 159.2 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | trans | -55.4 | 126.6 | -178.4 | -24.2 | 33.6 | 0 | 0 | 0 | 111.3 | V73 | P71-V73 PolarHBondContact O-N 3.39Š|
| 72 | R | 46.5 | Very low | 48.3 | Very low | 231 Ų | 231 | 153.7 Ų | 153.7 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | trans | -60 | 112.5 | 170.6 | -72.9 | 177.6 | 176.1 | 160.6 | -3.7 | 108.5 | S70 P74 | S70-R72 PolarHBondContact O-N 2.75Å; R72-P74 VanDerWaalsContact O-CD 3.27Å; R72-P74 WeakPolarHBondContact O-CD 3.31Å |
| 73 | V | 51.2 | Low | 47.6 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 64% | 0.642 | 79% | 0.786 | S | S | * | * | | | trans | -68.7 | 117.6 | 167.1 | 178.8 | 0 | 0 | 0 | 0 | 108 | P71 R75 | P71-V73 PolarHBondContact O-N 3.39Å; V73-R75 HydrophobicContact CG1-CB 4.12Å; V73-R75 HydrophobicContact CG1-CG 3.89Å; V73-R75 PolarHBondContact O-N 2.93Å |
| 74 | P | 41 | Very low | 47.2 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -85 | 101.5 | 171.2 | 32.6 | -26.4 | 0 | 0 | 0 | 108 | R72 | R72-P74 VanDerWaalsContact O-CD 3.27Å; R72-P74 WeakPolarHBondContact O-CD 3.31Å |
| 75 | R | 46.4 | Very low | 46.8 | Very low | 220 Ų | 220 | 144.8 Ų | 144.8 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | | | trans | -129.7 | 125.4 | 177.2 | -97.9 | -175.2 | 164.4 | 129.8 | -0.8 | 114.5 | V73 | V73-R75 HydrophobicContact CG1-CB 4.12Å; V73-R75 HydrophobicContact CG1-CG 3.89Å; V73-R75 PolarHBondContact O-N 2.93Å |
| 76 | S | 43.1 | Very low | 46.3 | Very low | 105 Ų | 105 | 145 Ų | 145 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | trans | 65.7 | 73.3 | 161.3 | -71.1 | 0 | 0 | 0 | 0 | 118.9 | R78 | S76-R78 VanDerWaalsContact C-N 3.27Å; S76-R78 PolarHBondContact O-N 2.95Å |
| 77 | R | 36.3 | Very low | 45.4 | Very low | 230 Ų | 230 | 145.4 Ų | 145.4 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | | | trans | -65 | 86.8 | 142.5 | -175.6 | -172.6 | -164.5 | -175.4 | 5.6 | 108.8 | | |
| 78 | R | 43.7 | Very low | 44.9 | Very low | 223 Ų | 223 | 144 Ų | 144 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | | | trans | -88.5 | 107.2 | 176.3 | -137.1 | -179.9 | -170.2 | -174.7 | 1.6 | 109.9 | S76 | S76-R78 VanDerWaalsContact C-N 3.27Å; S76-R78 PolarHBondContact O-N 2.95Å |
| 79 | Q | 40.9 | Very low | 44.4 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -79.8 | 114.3 | 169 | -66 | 167.1 | -43 | 0 | 0 | 109.5 | | |
| 80 | V | 42.2 | Very low | 44.4 | Very low | 126 Ų | 126 | 139 Ų | 139 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | | | trans | -163.2 | 143.4 | 162.1 | -174.1 | 0 | 0 | 0 | 0 | 106.1 | | |
| 81 | L | 44.4 | Very low | 44.1 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | | | cis | -160.7 | 139.7 | -38.6 | -177.2 | 72 | 0 | 0 | 0 | 104.6 | | |
| 82 | P | 39.3 | Very low | 43.7 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | | | trans | -79.6 | 140.9 | -173.6 | 31.4 | -34.2 | 0 | 0 | 0 | 113 | | |
| 83 | G | 40 | Very low | 43.7 | Very low | 72 Ų | 72 | 136.1 Ų | 136.1 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | 101.4 | 107.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 84 | T | 41.9 | Very low | 43.7 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | | | trans | -169.3 | 135.5 | 132.2 | -69.4 | 0 | 0 | 0 | 0 | 106.8 | | |
| 85 | A | 45.1 | Very low | 43.8 | Very low | 85 Ų | 85 | 140.6 Ų | 140.6 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | | | trans | -106.6 | -151.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 86 | P | 55.1 | Low | 44.1 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | | | | -115.2 | -156.6 | -90.6 | 36.7 | -19 | 0 | 0 | 0 | 111.2 | | |
| 87 | P | 43.8 | Very low | 44.9 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | | | | -155.3 | 175.6 | 78.4 | 40.9 | -19.9 | 0 | 0 | 0 | 118.5 | | |
| 88 | A | 48.1 | Very low | 45.7 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | trans | 81.5 | 94.6 | 148.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 89 | T | 37.9 | Very low | 46.2 | Very low | 133 Ų | 133 | 123 Ų | 123 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | | | trans | -77.3 | 158.3 | 149.5 | 8.9 | 0 | 0 | 0 | 0 | 112 | | |
| 90 | P | 48.3 | Very low | 46.7 | Very low | 119 Ų | 119 | 119 Ų | 119 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | | -123.6 | 127.5 | 115.3 | 34.4 | -29.4 | 0 | 0 | 0 | 109.8 | | |
| 91 | S | 39.9 | Very low | 47.7 | Very low | 120 Ų | 120 | 121 Ų | 121 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | | | | 66.6 | 92.2 | 63.3 | -176.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 92 | G | 43.2 | Very low | 48.3 | Very low | 70 Ų | 70 | 119.7 Ų | 119.7 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | | | trans | 167.9 | 112.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 93 | F | 45.4 | Very low | 49.8 | Very low | 196 Ų | 196 | 120.3 Ų | 120.3 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | | | trans | 63.8 | 94.2 | 156.9 | 169.3 | -98.3 | 0 | 0 | 0 | 116.4 | | |
| 94 | E | 51.6 | Low | 51.6 | Low | 153 Ų | 153 | 126 Ų | 126 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | | | | 85 | 107.2 | 82.1 | -86.8 | -105 | 123.6 | 0 | 0 | 114.7 | | |
| 95 | E | 42.6 | Very low | 53.1 | Low | 173 Ų | 173 | 120.9 Ų | 120.9 | 81% | 0.808 | 73% | 0.731 | S | S | * | * | | | trans | 36.7 | 94 | 141.4 | -91.6 | 58.1 | -161.8 | 0 | 0 | 120.1 | | |
| 96 | G | 54.2 | Low | 54.4 | Low | 64 Ų | 64 | 122.6 Ų | 122.6 | 66% | 0.66 | 73% | 0.727 | S | S | * | * | | | trans | -154 | 128.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 97 | P | 59.7 | Low | 55.2 | Low | 124 Ų | 124 | 121.8 Ų | 121.8 | 81% | 0.805 | 72% | 0.72 | S | S | * | * | | | trans | -65.9 | 140.9 | -174.6 | 26.1 | -33.8 | 0 | 0 | 0 | 111.7 | S99 | P97-S99 PolarHBondContact O-N 3.42Š|
| 98 | P | 51.8 | Low | 56.7 | Low | 112 Ų | 112 | 127 Ų | 127 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | trans | -75.4 | 94.1 | -167.4 | 30.1 | -36.1 | 0 | 0 | 0 | 112.1 | S100 | P98-S100 PolarHBondContact O-N 3.18Š|
| 99 | S | 54.4 | Low | 57.9 | Low | 107 Ų | 107 | 124.1 Ų | 124.1 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | | | trans | -71.9 | 16.2 | 170.8 | -154.8 | 0 | 0 | 0 | 0 | 113.6 | P97 | P97-S99 PolarHBondContact O-N 3.42Š|
| 100 | S | 52 | Low | 59.3 | Low | 83 Ų | 83 | 124 Ų | 124 | 58% | 0.58 | 71% | 0.705 | S | S | * | * | | | trans | -120.5 | 47.5 | -176 | 54 | 0 | 0 | 0 | 0 | 111.9 | P98 Y102 | P98-S100 PolarHBondContact O-N 3.18Å; S100-Y102 PolarHBondContact O-N 3.46Å |
| 101 | Q | 62.4 | Low | 60.1 | Low | 168 Ų | 168 | 124.2 Ų | 124.2 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -57.5 | -16.8 | 172.7 | -171.7 | 167.1 | 16.8 | 0 | 0 | 113 | | |
| 102 | Y | 57.2 | Low | 60.9 | Low | 125 Ų | 125 | 124.5 Ų | 124.5 | 49% | 0.49 | 70% | 0.701 | S | S | . | * | S | Bend | trans | -131.5 | 126.3 | 169.9 | -65.6 | -72.3 | 0 | 0 | 0 | 110.8 | S100 W104 A105 | S100-Y102 PolarHBondContact O-N 3.46Å; Y102-W104 AromaticContact CD1-CE2 3.83Å; Y102-W104 AromaticContact CD1-CZ2 3.75Å; Y102-W104 HydrophobicContact CD1-CZ2 3.75Å; Y102-W104 AromaticContact CD1-NE1 3.56Å; Y102-W104 HydrophobicContact CD2-CH2 4.47Å; Y102-W104 HydrophobicContact CD2-CZ2 4.03Å; Y102-W104 HydrophobicContact CE1-CZ2 4.35Å; Y102-W104 AromaticContact CG-CE2 3.72Å; Y102-W104 HydrophobicContact CG-CH2 4.35Å; Y102-W104 AromaticContact CG-CZ2 3.56Å; Y102-W104 HydrophobicContact CG-CZ2 3.56Å; Y102-W104 AromaticContact CG-NE1 3.83Å; Y102-W104 PolarHBondContact O-N 3.25Å; Y102-A105 PolarHBondContact O-N 2.83Å; Y102-A105 VanDerWaalsContact O-N 3.07Å |
| 103 | P | 70.3 | Confident | 61.3 | Low | 136 Ų | 136 | 125.6 Ų | 125.6 | 88% | 0.883 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -7.1 | -179 | 28.7 | -36 | 0 | 0 | 0 | 113.9 | | |
| 104 | W | 78.8 | Confident | 61.8 | Low | 192 Ų | 192 | 128 Ų | 128 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -6.8 | 175.5 | 54.6 | -100.6 | 0 | 0 | 0 | 113.5 | Y102 I106 | Y102-W104 AromaticContact CD1-CE2 3.83Å; Y102-W104 AromaticContact CD1-CZ2 3.75Å; Y102-W104 HydrophobicContact CD1-CZ2 3.75Å; Y102-W104 AromaticContact CD1-NE1 3.56Å; Y102-W104 HydrophobicContact CD2-CH2 4.47Å; Y102-W104 HydrophobicContact CD2-CZ2 4.03Å; Y102-W104 HydrophobicContact CE1-CZ2 4.35Å; Y102-W104 AromaticContact CG-CE2 3.72Å; Y102-W104 HydrophobicContact CG-CH2 4.35Å; Y102-W104 AromaticContact CG-CZ2 3.56Å; Y102-W104 HydrophobicContact CG-CZ2 3.56Å; Y102-W104 AromaticContact CG-NE1 3.83Å; Y102-W104 PolarHBondContact O-N 3.25Å; W104-I106 PolarHBondContact O-N 3.47Å |
| 105 | A | 74.2 | Confident | 62 | Low | 44 Ų | 44 | 128.6 Ų | 128.6 | 36% | 0.364 | 70% | 0.704 | S | S | . | * | | | trans | -84 | 94.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y102 V107 | Y102-A105 PolarHBondContact O-N 2.83Å; Y102-A105 VanDerWaalsContact O-N 3.07Å; A105-V107 PolarHBondContact O-N 3.48Å |
| 106 | I | 71.4 | Confident | 62.3 | Low | 121 Ų | 121 | 128.1 Ų | 128.1 | 62% | 0.621 | 71% | 0.707 | S | S | * | * | | | trans | -79.4 | 111.7 | 166.9 | -53 | 172.8 | 0 | 0 | 0 | 107.9 | W104 W108 | W104-I106 PolarHBondContact O-N 3.47Å; I106-W108 HydrophobicContact CB-CZ2 4.5Å; I106-W108 HydrophobicContact CD1-CZ2 4.29Å; I106-W108 HydrophobicContact CG2-CD2 3.98Å; I106-W108 VanDerWaalsContact CG2-CE2 3.47Å; I106-W108 HydrophobicContact CG2-CG 4.32Å; I106-W108 HydrophobicContact CG2-CH2 4.46Å; I106-W108 HydrophobicContact CG2-CZ2 3.75Å; I106-W108 VanDerWaalsContact O-CD1 3.25Å; I106-W108 PolarHBondContact O-N 2.78Å |
| 107 | V | 72.6 | Confident | 62.3 | Low | 100 Ų | 100 | 128.6 Ų | 128.6 | 61% | 0.606 | 71% | 0.712 | S | S | * | * | | | trans | -83 | 101.8 | 176 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | A105 G109 | A105-V107 PolarHBondContact O-N 3.48Å; V107-G109 PolarHBondContact O-N 3.42Å; V107-G109 VanDerWaalsContact O-N 3.09Å |
| 108 | W | 74.5 | Confident | 61.5 | Low | 229 Ų | 229 | 125.4 Ų | 125.4 | 87% | 0.867 | 70% | 0.702 | S | S | * | * | | | trans | -83.9 | 45.4 | 178.1 | -62 | 96.9 | 0 | 0 | 0 | 112.8 | I106 | I106-W108 HydrophobicContact CB-CZ2 4.5Å; I106-W108 HydrophobicContact CD1-CZ2 4.29Å; I106-W108 HydrophobicContact CG2-CD2 3.98Å; I106-W108 VanDerWaalsContact CG2-CE2 3.47Å; I106-W108 HydrophobicContact CG2-CG 4.32Å; I106-W108 HydrophobicContact CG2-CH2 4.46Å; I106-W108 HydrophobicContact CG2-CZ2 3.75Å; I106-W108 VanDerWaalsContact O-CD1 3.25Å; I106-W108 PolarHBondContact O-N 2.78Å |
| 109 | G | 73.6 | Confident | 61.2 | Low | 37 Ų | 37 | 127 Ų | 127 | 38% | 0.381 | 70% | 0.704 | S | S | . | * | S | Bend | trans | -100 | 161.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V107 T111 | V107-G109 PolarHBondContact O-N 3.42Å; V107-G109 VanDerWaalsContact O-N 3.09Å; G109-T111 PolarHBondContact O-N 3.47Å |
| 110 | P | 67.7 | Low | 61.2 | Low | 131 Ų | 131 | 127.5 Ų | 127.5 | 85% | 0.851 | 70% | 0.704 | S | S | * | * | | | trans | -64.9 | 97.1 | 166.3 | -15.2 | 30 | 0 | 0 | 0 | 109.1 | V112 | P110-V112 VanDerWaalsContact C-N 3.31Å; P110-V112 PolarHBondContact O-N 2.78Å |
| 111 | T | 65.5 | Low | 61.3 | Low | 124 Ų | 124 | 130.9 Ų | 130.9 | 76% | 0.761 | 72% | 0.716 | S | S | * | * | | | trans | -68.9 | 93.2 | 170.9 | -50.1 | 0 | 0 | 0 | 0 | 107.6 | G109 S113 | G109-T111 PolarHBondContact O-N 3.47Å; T111-S113 PolarHBondContact O-N 3.46Å |
| 112 | V | 55.8 | Low | 60.8 | Low | 125 Ų | 125 | 127.8 Ų | 127.8 | 76% | 0.758 | 71% | 0.713 | S | S | * | * | | | trans | -61 | 118.8 | 169.5 | -70 | 0 | 0 | 0 | 0 | 108 | P110 R114 | P110-V112 VanDerWaalsContact C-N 3.31Å; P110-V112 PolarHBondContact O-N 2.78Å; V112-R114 PolarHBondContact O-N 2.94Å |
| 113 | S | 51.3 | Low | 60.3 | Low | 93 Ų | 93 | 126.6 Ų | 126.6 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | | | trans | -60.3 | 106.4 | 175.5 | -57.4 | 0 | 0 | 0 | 0 | 108.4 | T111 E115 | T111-S113 PolarHBondContact O-N 3.46Å; S113-E115 PolarHBondContact O-N 3.23Å |
| 114 | R | 56.3 | Low | 58.9 | Low | 248 Ų | 248 | 126.6 Ų | 126.6 | 94% | 0.936 | 72% | 0.722 | S | S | * | * | | | trans | -79.6 | 64.7 | 174.3 | -171.9 | -179.2 | 164.9 | 131.8 | -2 | 108.8 | V112 | V112-R114 PolarHBondContact O-N 2.94Š|
| 115 | E | 55.6 | Low | 57.1 | Low | 164 Ų | 164 | 123.7 Ų | 123.7 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | | | trans | -125 | 35.6 | 180 | -65.2 | 171.8 | -162 | 0 | 0 | 109.5 | S113 G117 | S113-E115 PolarHBondContact O-N 3.23Å; E115-G117 PolarHBondContact O-N 2.81Å |
| 116 | D | 50 | Low | 55.7 | Low | 163 Ų | 163 | 124.3 Ų | 124.3 | 87% | 0.872 | 74% | 0.739 | S | S | * | * | | | trans | -75.6 | 63.4 | 167.6 | -158.7 | 9 | 0 | 0 | 0 | 108.9 | G118 | D116-G118 PolarHBondContact O-N 3.21Š|
| 117 | G | 53.4 | Low | 54.1 | Low | 74 Ų | 74 | 127.5 Ų | 127.5 | 76% | 0.763 | 75% | 0.748 | S | S | * | * | | | trans | -78.1 | 91.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | E115 | E115-G117 PolarHBondContact O-N 2.81Š|
| 118 | G | 42.5 | Very low | 52.7 | Low | 58 Ų | 58 | 130.2 Ų | 130.2 | 60% | 0.598 | 76% | 0.758 | S | S | * | * | | | trans | -63.9 | 134.3 | -158.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | D116 P120 | D116-G118 PolarHBondContact O-N 3.21Å; G118-P120 WeakPolarHBondContact O-CD 3.22Å |
| 119 | D | 45 | Very low | 51 | Low | 145 Ų | 145 | 125.4 Ų | 125.4 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | | | trans | -93.4 | 100.3 | 145.5 | -98.2 | -30.6 | 0 | 0 | 0 | 108.5 | N121 | D119-N121 PolarHBondContact O-N 3.17Š|
| 120 | P | 55.5 | Low | 49.3 | Very low | 117 Ų | 117 | 135 Ų | 135 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 11.8 | -174.2 | 29.7 | -36.4 | 0 | 0 | 0 | 115 | G118 | G118-P120 WeakPolarHBondContact O-CD 3.22Š|
| 121 | N | 54.3 | Low | 48 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.4 | 6.3 | -173.1 | -76.7 | -45.5 | 0 | 0 | 0 | 114.8 | D119 A123 | D119-N121 PolarHBondContact O-N 3.17Å; N121-A123 PolarHBondContact O-N 2.74Å; N121-A123 VanDerWaalsContact O-N 3.15Å |
| 122 | S | 51.6 | Low | 46.6 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | trans | -81 | 91.2 | 174.2 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | N124 | S122-N124 PolarHBondContact O-N 3.21Å; S122-N124 VanDerWaalsContact O-N 3.09Å |
| 123 | A | 46.3 | Very low | 46.2 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | | | trans | -74.2 | 95.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | N121 | N121-A123 PolarHBondContact O-N 2.74Å; N121-A123 VanDerWaalsContact O-N 3.15Å |
| 124 | N | 40.8 | Very low | 45.8 | Very low | 137 Ų | 137 | 132 Ų | 132 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | | | trans | -146 | 90.9 | 159.5 | -161.8 | -9.5 | 0 | 0 | 0 | 112.8 | S122 G126 | S122-N124 PolarHBondContact O-N 3.21Å; S122-N124 VanDerWaalsContact O-N 3.09Å; N124-G126 PolarHBondContact O-N 2.83Å |
| 125 | P | 41.8 | Very low | 45.7 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 84% | 0.844 | 75% | 0.754 | S | S | * | * | | | trans | -83.9 | 91.2 | 171 | 33.1 | -29.6 | 0 | 0 | 0 | 109.6 | | |
| 126 | G | 43.6 | Very low | 45.3 | Very low | 58 Ų | 58 | 127.4 Ų | 127.4 | 60% | 0.598 | 76% | 0.758 | S | S | * | * | | | trans | -134.6 | 83.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | N124 | N124-G126 PolarHBondContact O-N 2.83Š|
| 127 | F | 38.9 | Very low | 44.8 | Very low | 188 Ų | 188 | 123.4 Ų | 123.4 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | | | trans | 49.3 | 90.4 | 146.1 | -131.6 | -103.4 | 0 | 0 | 0 | 116.2 | D129 | F127-D129 PolarHBondContact O-N 3.48Š|
| 128 | L | 42 | Very low | 44.4 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | | | | 25.9 | 85 | 93.7 | -68.9 | -178.2 | 0 | 0 | 0 | 114.3 | | |
| 129 | D | 39.1 | Very low | 44.4 | Very low | 128 Ų | 128 | 130 Ų | 130 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | | | trans | -131.1 | 114.8 | 155.1 | -165.6 | 16.9 | 0 | 0 | 0 | 111.5 | F127 G131 | F127-D129 PolarHBondContact O-N 3.48Å; D129-G131 PolarHBondContact O-N 3Å; D129-G131 PolarHBondContact OD1-N 2.73Å |
| 130 | Y | 38.6 | Very low | 44.5 | Very low | 240 Ų | 240 | 129.5 Ų | 129.5 | 94% | 0.941 | 77% | 0.774 | S | S | * | * | | | trans | -78.4 | 62.3 | 163.8 | -92 | -99.5 | 0 | 0 | 0 | 108 | | |
| 131 | G | 40.1 | Very low | 44 | Very low | 40 Ų | 40 | 129.6 Ų | 129.6 | 41% | 0.412 | 78% | 0.775 | S | S | . | * | | | trans | -106.2 | 105.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D129 A133 | D129-G131 PolarHBondContact O-N 3Å; D129-G131 PolarHBondContact OD1-N 2.73Å; G131-A133 PolarHBondContact O-N 3.26Å |
| 132 | F | 35.4 | Very low | 43.5 | Very low | 212 Ų | 212 | 130.7 Ų | 130.7 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | | | trans | -74 | 75.7 | 165.8 | -169.8 | -92.2 | 0 | 0 | 0 | 109.3 | | |
| 133 | A | 47.4 | Very low | 43.4 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | trans | -92.8 | 102.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G131 | G131-A133 PolarHBondContact O-N 3.26Š|
| 134 | A | 42.8 | Very low | 43.2 | Very low | 68 Ų | 68 | 131.8 Ų | 131.8 | 56% | 0.562 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 143.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | H136 | A134-H136 PolarHBondContact O-N 3.18Å; A134-H136 VanDerWaalsContact O-N 3.14Å |
| 135 | P | 54.2 | Low | 43.3 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 116 | 176.7 | -12.8 | 26.6 | 0 | 0 | 0 | 110 | G137 | P135-G137 PolarHBondContact O-N 3.42Š|
| 136 | H | 48.3 | Very low | 43.5 | Very low | 183 Ų | 183 | 130.9 Ų | 130.9 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 128.7 | 178.9 | -73.8 | -91.6 | 0 | 0 | 0 | 111.4 | A134 L138 | A134-H136 PolarHBondContact O-N 3.18Å; A134-H136 VanDerWaalsContact O-N 3.14Å; H136-L138 PolarHBondContact O-N 3.32Å |
| 137 | G | 38.7 | Very low | 43.5 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 81% | 0.814 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 123.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P135 | P135-G137 PolarHBondContact O-N 3.42Š|
| 138 | L | 45.8 | Very low | 43.6 | Very low | 178 Ų | 178 | 131.4 Ų | 131.4 | 93% | 0.932 | 76% | 0.762 | S | S | * | * | | | trans | -94.9 | 105.8 | 160.5 | -83.7 | 166.6 | 0 | 0 | 0 | 108.5 | H136 | H136-L138 PolarHBondContact O-N 3.32Š|
| 139 | A | 42.5 | Very low | 43.7 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | | | trans | -83.5 | 121.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 140 | T | 45.9 | Very low | 43.9 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | | | trans | -122.8 | 103.7 | 156.3 | 44.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 141 | P | 45.7 | Very low | 44.2 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | -77.2 | 126.5 | 178.8 | 30.4 | -32 | 0 | 0 | 0 | 110.1 | | |
| 142 | H | 44.9 | Very low | 44.8 | Very low | 178 Ų | 178 | 130.4 Ų | 130.4 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | trans | -116.7 | 104 | 167.5 | -156.3 | 74.2 | 0 | 0 | 0 | 108.8 | | |
| 143 | P | 48.1 | Very low | 45.5 | Very low | 83 Ų | 83 | 128.2 Ų | 128.2 | 54% | 0.539 | 78% | 0.775 | S | S | . | * | | | trans | -82.1 | 175 | 171.1 | 35.7 | -33.8 | 0 | 0 | 0 | 110.4 | | |
| 144 | N | 42.2 | Very low | 45.3 | Very low | 142 Ų | 142 | 127.7 Ų | 127.7 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | | | trans | 77 | 133.1 | 177.4 | -32.9 | -35.4 | 0 | 0 | 0 | 113.3 | | |
| 145 | S | 43.2 | Very low | 45.5 | Very low | 94 Ų | 94 | 132.3 Ų | 132.3 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | | | cis | -169.1 | 150 | -10.3 | 36.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 146 | D | 47.2 | Very low | 44.9 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | | | trans | 54.2 | 113.4 | 155.3 | -49.3 | -32.9 | 0 | 0 | 0 | 120.1 | | |
| 147 | S | 41.9 | Very low | 45 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | | 168.6 | 137.8 | 108.2 | -171.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 148 | M | 42.7 | Very low | 45.3 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | | | trans | 60.3 | 102.6 | 160.3 | -67.4 | -80.4 | -141.8 | 0 | 0 | 118.2 | | |
| 149 | R | 42.4 | Very low | 45 | Very low | 238 Ų | 238 | 133.3 Ų | 133.3 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | | | | 83.9 | 127 | 79.2 | -95.6 | 178.9 | 135.5 | -159 | 0.1 | 114.4 | | |
| 150 | G | 44.1 | Very low | 45.1 | Very low | 73 Ų | 73 | 133 Ų | 133 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | 117.4 | 71.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 151 | D | 45.8 | Very low | 45 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 94% | 0.936 | 78% | 0.779 | S | S | * | * | | | | 71.7 | 128.3 | 71.5 | -161.9 | 22.7 | 0 | 0 | 0 | 112.4 | | |
| 152 | G | 52.4 | Low | 44.8 | Very low | 57 Ų | 57 | 131.6 Ų | 131.6 | 59% | 0.588 | 78% | 0.784 | S | S | * | * | | | trans | 111.7 | 94.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 153 | D | 50.2 | Low | 44.6 | Very low | 166 Ų | 166 | 128.9 Ų | 128.9 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | | | trans | 59.6 | 89.8 | 140.7 | -53 | -21.4 | 0 | 0 | 0 | 119.7 | | |
| 154 | G | 42 | Very low | 44.5 | Very low | 78 Ų | 78 | 132.9 Ų | 132.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -77.6 | 140.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 155 | L | 48.4 | Very low | 44.9 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | | | trans | -147.3 | 107.9 | 145.8 | -111.5 | 171.3 | 0 | 0 | 0 | 109.7 | L157 | L155-L157 PolarHBondContact O-N 3.46Š|
| 156 | I | 40.9 | Very low | 45.2 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | trans | -62.4 | 118.2 | 171.9 | -61.9 | -68.9 | 0 | 0 | 0 | 108.8 | | |
| 157 | L | 49.2 | Very low | 45.6 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | -152.8 | 101.8 | 162.6 | -109.3 | 172.7 | 0 | 0 | 0 | 111.8 | L155 | L155-L157 PolarHBondContact O-N 3.46Š|
| 158 | G | 46.3 | Very low | 46 | Very low | 62 Ų | 62 | 142 Ų | 142 | 64% | 0.639 | 81% | 0.805 | S | S | * | * | | | trans | 57.7 | 85.4 | 148.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | A160 | G158-A160 PolarHBondContact O-N 3.36Š|
| 159 | E | 38.8 | Very low | 46.2 | Very low | 200 Ų | 200 | 145.3 Ų | 145.3 | 94% | 0.935 | 82% | 0.816 | S | S | * | * | | | trans | -42.1 | 103.3 | 155.2 | -170.3 | 78.6 | 173.3 | 0 | 0 | 110.8 | | |
| 160 | A | 44.3 | Very low | 46.5 | Very low | 87 Ų | 87 | 137.4 Ų | 137.4 | 72% | 0.719 | 81% | 0.809 | S | S | * | * | | | trans | -123.1 | 122.3 | -180 | 0 | 0 | 0 | 0 | 0 | 109.6 | G158 | G158-A160 PolarHBondContact O-N 3.36Š|
| 161 | P | 44.2 | Very low | 46.6 | Very low | 114 Ų | 114 | 138 Ų | 138 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | | | trans | -81.3 | 130.6 | -162.2 | 30.3 | -35.6 | 0 | 0 | 0 | 113.9 | T163 | P161-T163 PolarHBondContact O-N 3.26Å; P161-T163 VanDerWaalsContact O-N 3.17Å |
| 162 | A | 41.8 | Very low | 46.6 | Very low | 108 Ų | 108 | 141 Ų | 141 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | | | trans | 42.4 | 57.1 | 140.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 163 | T | 41 | Very low | 46.5 | Very low | 121 Ų | 121 | 142 Ų | 142 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | | | trans | -130.9 | 119.3 | 160.5 | 59.5 | 0 | 0 | 0 | 0 | 111.5 | P161 | P161-T163 PolarHBondContact O-N 3.26Å; P161-T163 VanDerWaalsContact O-N 3.17Å |
| 164 | L | 45 | Very low | 46.7 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | | | trans | 38.7 | 99.7 | 171.6 | -69.6 | 105.2 | 0 | 0 | 0 | 116.6 | P166 | L164-P166 WeakPolarHBondContact O-CD 3.3Š|
| 165 | R | 50.6 | Low | 47.5 | Very low | 243 Ų | 243 | 142.9 Ų | 142.9 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | | | trans | -61.3 | 114.1 | 155.6 | -77.6 | -178.8 | 172 | 161.6 | -1.6 | 108.6 | | |
| 166 | P | 50.8 | Low | 48.3 | Very low | 91 Ų | 91 | 138.6 Ų | 138.6 | 59% | 0.591 | 80% | 0.803 | S | S | * | * | | | trans | -70 | 148.1 | 166.4 | 32 | -33.1 | 0 | 0 | 0 | 108.7 | L164 L168 | L164-P166 WeakPolarHBondContact O-CD 3.3Å; P166-L168 HydrophobicContact CB-CD1 4.15Å; P166-L168 HydrophobicContact CB-CG 4.2Å; P166-L168 HydrophobicContact CG-CD1 3.92Å; P166-L168 HydrophobicContact CG-CG 4.28Å; P166-L168 PolarHBondContact O-N 3.09Å |
| 167 | F | 55.1 | Low | 49.9 | Very low | 220 Ų | 220 | 135.1 Ų | 135.1 | 97% | 0.965 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -69.8 | 71.9 | 178.8 | -67.6 | -94.1 | 0 | 0 | 0 | 111.5 | | |
| 168 | L | 49.3 | Very low | 51.5 | Low | 139 Ų | 139 | 131.8 Ų | 131.8 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | | | trans | -124 | 18 | -175.5 | -67.8 | 178.9 | 0 | 0 | 0 | 113.6 | P166 | P166-L168 HydrophobicContact CB-CD1 4.15Å; P166-L168 HydrophobicContact CB-CG 4.2Å; P166-L168 HydrophobicContact CG-CD1 3.92Å; P166-L168 HydrophobicContact CG-CG 4.28Å; P166-L168 PolarHBondContact O-N 3.09Å |
| 169 | F | 47 | Very low | 53.1 | Low | 216 Ų | 216 | 135.4 Ų | 135.4 | 95% | 0.947 | 78% | 0.775 | S | S | * | * | | | trans | -130.2 | 101.9 | 169 | -85.4 | -87.4 | 0 | 0 | 0 | 110.5 | | |
| 170 | G | 49.8 | Very low | 55.3 | Low | 72 Ų | 72 | 130.1 Ų | 130.1 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | | | trans | -169 | 19.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R172 | G170-R172 PolarHBondContact O-N 3.15Š|
| 171 | G | 46 | Very low | 57.1 | Low | 86 Ų | 86 | 131.9 Ų | 131.9 | 89% | 0.887 | 74% | 0.741 | S | S | * | * | | | trans | -77.5 | 56.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 172 | R | 46.4 | Very low | 59.3 | Low | 238 Ų | 238 | 130.5 Ų | 130.5 | 90% | 0.898 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -160.1 | 119 | 165.3 | -110 | 171.5 | -178.4 | -169.9 | -1.1 | 108.3 | G170 E174 | G170-R172 PolarHBondContact O-N 3.15Å; R172-E174 PolarHBondContact O-N 2.91Å |
| 173 | G | 48.7 | Very low | 61.5 | Low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | | | trans | -79.7 | 121.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 174 | E | 55 | Low | 63.8 | Low | 182 Ų | 182 | 127.1 Ų | 127.1 | 85% | 0.85 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -169.1 | 112.2 | 158.7 | -103.7 | 147.5 | -176.1 | 0 | 0 | 106.3 | R172 | R172-E174 PolarHBondContact O-N 2.91Š|
| 175 | G | 58.4 | Low | 65.7 | Low | 80 Ų | 80 | 122.8 Ų | 122.8 | 83% | 0.825 | 68% | 0.676 | S | S | * | * | | | trans | 83.2 | 96.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D177 | G175-D177 PolarHBondContact O-N 3.3Š|
| 176 | V | 66.1 | Low | 67.7 | Low | 76 Ų | 76 | 115.5 Ų | 115.5 | 46% | 0.461 | 65% | 0.654 | S | S | . | * | | | trans | -83.1 | 111.6 | 167.3 | -171.3 | 0 | 0 | 0 | 0 | 107.4 | L180 Y181 | V176-L180 HydrophobicContact CG1-CD2 3.99Å; V176-Y181 HydrophobicContact CB-CD2 4.37Å; V176-Y181 HydrophobicContact CB-CE2 3.53Å; V176-Y181 HydrophobicContact CG1-CD2 3.9Å; V176-Y181 HydrophobicContact CG1-CE1 4.25Å; V176-Y181 HydrophobicContact CG1-CE2 3.41Å; V176-Y181 VanDerWaalsContact CG1-CE2 3.41Å; V176-Y181 HydrophobicContact CG2-CE2 4.49Å |
| 177 | D | 74.6 | Confident | 69.7 | Low | 91 Ų | 91 | 114.2 Ų | 114.2 | 49% | 0.487 | 65% | 0.647 | S | S | . | * | | | trans | -52.8 | 127.5 | -179.6 | -172.2 | -24.8 | 0 | 0 | 0 | 110.8 | G175 Q179 L180 Y181 | G175-D177 PolarHBondContact O-N 3.3Å; D177-Q179 PolarHBondContact O-N 2.88Å; D177-Q179 VanDerWaalsContact O-N 3.11Å; D177-Q179 VanDerWaalsContact OD1-CB 3.3Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.33Å; D177-Q179 PolarHBondContact OD1-N 3.18Å; D177-L180 HydrophobicContact CB-CB 4.35Å; D177-L180 WeakPolarHBondContact O-CA 3.33Å; D177-L180 WeakPolarHBondContact O-CB 3.2Å; D177-L180 PolarHBondContact O-N 3.47Å; D177-Y181 PolarHBondContact O-N 3.29Å |
| 178 | P | 81.7 | Confident | 71.3 | Confident | 97 Ų | 97 | 108 Ų | 108 | 63% | 0.63 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -49.3 | -34.2 | 172.3 | -29 | 36.1 | 0 | 0 | 0 | 113.7 | L180 Y181 V182 | P178-L180 VanDerWaalsContact C-N 3.32Å; P178-L180 PolarHBondContact O-N 2.88Å; P178-Y181 PolarHBondContact O-N 3.46Å; P178-V182 WeakPolarHBondContact O-CG2 3.48Å; P178-V182 PolarHBondContact O-N 2.85Å; P178-V182 VanDerWaalsContact O-N 3.09Å |
| 179 | Q | 80.7 | Confident | 73.2 | Confident | 138 Ų | 138 | 105.9 Ų | 105.9 | 65% | 0.645 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.6 | -36.9 | 175.9 | -172.4 | 169.5 | -9.8 | 0 | 0 | 111.9 | D177 V182 T183 | D177-Q179 PolarHBondContact O-N 2.88Å; D177-Q179 VanDerWaalsContact O-N 3.11Å; D177-Q179 VanDerWaalsContact OD1-CB 3.3Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.33Å; D177-Q179 PolarHBondContact OD1-N 3.18Å; Q179-V182 PolarHBondContact O-N 2.86Å; Q179-T183 WeakPolarHBondContact O-CB 3.3Å; Q179-T183 PolarHBondContact O-N 3.41Å; Q179-T183 PolarHBondContact O-OG1 3.46Å |
| 180 | L | 83.8 | Confident | 75.3 | Confident | 89 Ų | 89 | 100.7 Ų | 100.7 | 47% | 0.466 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.9 | -42.2 | 175.6 | -172.8 | 69.2 | 0 | 0 | 0 | 111.2 | V176 D177 P178 V182 T183 I184 | V176-L180 HydrophobicContact CG1-CD2 3.99Å; D177-L180 HydrophobicContact CB-CB 4.35Å; D177-L180 WeakPolarHBondContact O-CA 3.33Å; D177-L180 WeakPolarHBondContact O-CB 3.2Å; D177-L180 PolarHBondContact O-N 3.47Å; P178-L180 VanDerWaalsContact C-N 3.32Å; P178-L180 PolarHBondContact O-N 2.88Å; L180-V182 VanDerWaalsContact C-N 3.35Å; L180-V182 PolarHBondContact O-N 2.78Å; L180-T183 PolarHBondContact O-N 2.9Å; L180-I184 HydrophobicContact CD1-CD1 4.23Å; L180-I184 HydrophobicContact CD1-CG1 4.39Å; L180-I184 HydrophobicContact CD2-CD1 4.23Å; L180-I184 HydrophobicContact CG-CD1 3.77Å; L180-I184 HydrophobicContact CG-CG1 4.31Å; L180-I184 WeakPolarHBondContact O-CB 3.31Å; L180-I184 VanDerWaalsContact O-CG1 3.25Å; L180-I184 WeakPolarHBondContact O-CG1 3.39Å; L180-I184 PolarHBondContact O-N 2.9Å |
| 181 | Y | 83.9 | Confident | 77.4 | Confident | 124 Ų | 124 | 101.2 Ų | 101.2 | 49% | 0.486 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61 | -42.7 | 175.1 | -77.5 | -66.5 | 0 | 0 | 0 | 112.3 | V176 D177 P178 T185 | V176-Y181 HydrophobicContact CB-CD2 4.37Å; V176-Y181 HydrophobicContact CB-CE2 3.53Å; V176-Y181 HydrophobicContact CG1-CD2 3.9Å; V176-Y181 HydrophobicContact CG1-CE1 4.25Å; V176-Y181 HydrophobicContact CG1-CE2 3.41Å; V176-Y181 VanDerWaalsContact CG1-CE2 3.41Å; V176-Y181 HydrophobicContact CG2-CE2 4.49Å; D177-Y181 PolarHBondContact O-N 3.29Å; P178-Y181 PolarHBondContact O-N 3.46Å; Y181-T185 VanDerWaalsContact O-CB 3.31Å; Y181-T185 WeakPolarHBondContact O-CB 3.13Å; Y181-T185 PolarHBondContact O-N 2.84Å; Y181-T185 PolarHBondContact O-OG1 3.4Å |
| 182 | V | 89.2 | Confident | 79.4 | Confident | 85 Ų | 85 | 101.4 Ų | 101.4 | 52% | 0.515 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.4 | -46.7 | 176.1 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | P178 Q179 L180 T185 I186 | P178-V182 WeakPolarHBondContact O-CG2 3.48Å; P178-V182 PolarHBondContact O-N 2.85Å; P178-V182 VanDerWaalsContact O-N 3.09Å; Q179-V182 PolarHBondContact O-N 2.86Å; L180-V182 VanDerWaalsContact C-N 3.35Å; L180-V182 PolarHBondContact O-N 2.78Å; V182-T185 PolarHBondContact O-N 2.8Å; V182-I186 HydrophobicContact CG1-CD1 3.7Å; V182-I186 HydrophobicContact CG1-CG1 4.45Å; V182-I186 VanDerWaalsContact O-CG1 3.31Å; V182-I186 WeakPolarHBondContact O-CG1 3.46Å; V182-I186 PolarHBondContact O-N 3.24Å |
| 183 | T | 89.5 | Confident | 81.6 | Confident | 78 Ų | 78 | 94 Ų | 94 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 177.9 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | Q179 L180 T185 I186 S187 | Q179-T183 WeakPolarHBondContact O-CB 3.3Å; Q179-T183 PolarHBondContact O-N 3.41Å; Q179-T183 PolarHBondContact O-OG1 3.46Å; L180-T183 PolarHBondContact O-N 2.9Å; T183-T185 VanDerWaalsContact C-N 3.34Å; T183-T185 PolarHBondContact O-N 2.82Å; T183-I186 PolarHBondContact O-N 3.32Å; T183-S187 VanDerWaalsContact O-CB 3.23Å; T183-S187 WeakPolarHBondContact O-CB 3.23Å; T183-S187 PolarHBondContact O-N 2.91Å |
| 184 | I | 88.3 | Confident | 83.7 | Confident | 81 Ų | 81 | 92.4 Ų | 92.4 | 42% | 0.415 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 175 | -71.7 | 170.6 | 0 | 0 | 0 | 110.2 | L180 S187 I188 | L180-I184 HydrophobicContact CD1-CD1 4.23Å; L180-I184 HydrophobicContact CD1-CG1 4.39Å; L180-I184 HydrophobicContact CD2-CD1 4.23Å; L180-I184 HydrophobicContact CG-CD1 3.77Å; L180-I184 HydrophobicContact CG-CG1 4.31Å; L180-I184 WeakPolarHBondContact O-CB 3.31Å; L180-I184 VanDerWaalsContact O-CG1 3.25Å; L180-I184 WeakPolarHBondContact O-CG1 3.39Å; L180-I184 PolarHBondContact O-N 2.9Å; I184-S187 PolarHBondContact O-N 3.37Å; I184-I188 HydrophobicContact CG2-CD1 3.71Å; I184-I188 HydrophobicContact CG2-CG1 4.45Å; I184-I188 VanDerWaalsContact O-CG1 3.28Å; I184-I188 WeakPolarHBondContact O-CG1 3.27Å; I184-I188 PolarHBondContact O-N 3.43Å |
| 185 | T | 86 | Confident | 85.3 | Confident | 76 Ų | 76 | 87.5 Ų | 87.5 | 47% | 0.466 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 179.6 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | Y181 V182 T183 S187 I188 I189 | Y181-T185 VanDerWaalsContact O-CB 3.31Å; Y181-T185 WeakPolarHBondContact O-CB 3.13Å; Y181-T185 PolarHBondContact O-N 2.84Å; Y181-T185 PolarHBondContact O-OG1 3.4Å; V182-T185 PolarHBondContact O-N 2.8Å; T183-T185 VanDerWaalsContact C-N 3.34Å; T183-T185 PolarHBondContact O-N 2.82Å; T185-S187 VanDerWaalsContact C-N 3.35Å; T185-S187 PolarHBondContact O-N 3.33Å; T185-I188 PolarHBondContact O-N 3.34Å; T185-I189 HydrophobicContact CG2-CD1 4.01Å; T185-I189 VanDerWaalsContact O-CG1 3.3Å; T185-I189 WeakPolarHBondContact O-CG1 3.28Å; T185-I189 PolarHBondContact O-N 2.69Å |
| 186 | I | 90.5 | Very high | 86.7 | Confident | 89 Ų | 89 | 85.7 Ų | 85.7 | 46% | 0.456 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 177.2 | -67.6 | 168.2 | 0 | 0 | 0 | 110.7 | V182 T183 I188 I189 I190 | V182-I186 HydrophobicContact CG1-CD1 3.7Å; V182-I186 HydrophobicContact CG1-CG1 4.45Å; V182-I186 VanDerWaalsContact O-CG1 3.31Å; V182-I186 WeakPolarHBondContact O-CG1 3.46Å; V182-I186 PolarHBondContact O-N 3.24Å; T183-I186 PolarHBondContact O-N 3.32Å; I186-I188 PolarHBondContact O-N 2.88Å; I186-I189 PolarHBondContact O-N 2.82Å; I186-I190 HydrophobicContact CG2-CD1 3.7Å; I186-I190 HydrophobicContact CG2-CG1 4.35Å; I186-I190 WeakPolarHBondContact O-CG1 3.28Å; I186-I190 PolarHBondContact O-N 2.91Å |
| 187 | S | 93.7 | Very high | 87.9 | Confident | 65 Ų | 65 | 86.7 Ų | 86.7 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 176.6 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | T183 I184 T185 I189 I190 V191 | T183-S187 VanDerWaalsContact O-CB 3.23Å; T183-S187 WeakPolarHBondContact O-CB 3.23Å; T183-S187 PolarHBondContact O-N 2.91Å; I184-S187 PolarHBondContact O-N 3.37Å; T185-S187 VanDerWaalsContact C-N 3.35Å; T185-S187 PolarHBondContact O-N 3.33Å; S187-I189 PolarHBondContact O-N 3.5Å; S187-I190 PolarHBondContact O-N 3.27Å; S187-V191 WeakPolarHBondContact O-CG2 3.33Å; S187-V191 PolarHBondContact O-N 3.01Å |
| 188 | I | 88.3 | Confident | 88.6 | Confident | 89 Ų | 89 | 87.5 Ų | 87.5 | 46% | 0.456 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 176.1 | -69.1 | 165.3 | 0 | 0 | 0 | 110.9 | I184 T185 I186 I190 V191 L192 | I184-I188 HydrophobicContact CG2-CD1 3.71Å; I184-I188 HydrophobicContact CG2-CG1 4.45Å; I184-I188 VanDerWaalsContact O-CG1 3.28Å; I184-I188 WeakPolarHBondContact O-CG1 3.27Å; I184-I188 PolarHBondContact O-N 3.43Å; T185-I188 PolarHBondContact O-N 3.34Å; I186-I188 PolarHBondContact O-N 2.88Å; I188-I190 PolarHBondContact O-N 3.25Å; I188-V191 PolarHBondContact O-N 2.95Å; I188-L192 HydrophobicContact CG2-CD1 3.82Å; I188-L192 HydrophobicContact CG2-CG 4.31Å; I188-L192 WeakPolarHBondContact O-CB 3.2Å; I188-L192 VanDerWaalsContact O-CG 3.27Å; I188-L192 WeakPolarHBondContact O-CG 3.31Å; I188-L192 PolarHBondContact O-N 3.14Å |
| 189 | I | 89 | Confident | 89 | Confident | 95 Ų | 95 | 88 Ų | 88 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 177.8 | -68.1 | 164.7 | 0 | 0 | 0 | 111 | T185 I186 S187 L192 V193 | T185-I189 HydrophobicContact CG2-CD1 4.01Å; T185-I189 VanDerWaalsContact O-CG1 3.3Å; T185-I189 WeakPolarHBondContact O-CG1 3.28Å; T185-I189 PolarHBondContact O-N 2.69Å; I186-I189 PolarHBondContact O-N 2.82Å; S187-I189 PolarHBondContact O-N 3.5Å; I189-L192 PolarHBondContact O-N 3.17Å; I189-V193 HydrophobicContact CG2-CG2 4.41Å; I189-V193 WeakPolarHBondContact O-CB 3.25Å; I189-V193 VanDerWaalsContact O-CG2 3.3Å; I189-V193 WeakPolarHBondContact O-CG2 3.46Å; I189-V193 PolarHBondContact O-N 2.91Å |
| 190 | I | 92.3 | Very high | 89.3 | Confident | 106 Ų | 106 | 88.9 Ų | 88.9 | 54% | 0.544 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 178.9 | -68.3 | 168.4 | 0 | 0 | 0 | 110.8 | I186 S187 I188 L192 V193 A194 | I186-I190 HydrophobicContact CG2-CD1 3.7Å; I186-I190 HydrophobicContact CG2-CG1 4.35Å; I186-I190 WeakPolarHBondContact O-CG1 3.28Å; I186-I190 PolarHBondContact O-N 2.91Å; S187-I190 PolarHBondContact O-N 3.27Å; I188-I190 PolarHBondContact O-N 3.25Å; I190-L192 PolarHBondContact O-N 3.49Å; I190-V193 PolarHBondContact O-N 2.89Å; I190-A194 VanDerWaalsContact O-CB 3.31Å; I190-A194 WeakPolarHBondContact O-CB 3.3Å; I190-A194 PolarHBondContact O-N 3.01Å |
| 191 | V | 93.2 | Very high | 89.3 | Confident | 83 Ų | 83 | 90.5 Ų | 90.5 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 177.3 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | S187 I188 T195 | S187-V191 WeakPolarHBondContact O-CG2 3.33Å; S187-V191 PolarHBondContact O-N 3.01Å; I188-V191 PolarHBondContact O-N 2.95Å; V191-T195 WeakPolarHBondContact O-CB 3.48Å; V191-T195 PolarHBondContact O-N 3.46Å; V191-T195 PolarHBondContact O-OG1 2.96Å |
| 192 | L | 88.7 | Confident | 89.4 | Confident | 91 Ų | 91 | 88.3 Ų | 88.3 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 174.9 | -73.7 | 172.4 | 0 | 0 | 0 | 112.1 | L21 I188 I189 I190 T195 G196 | L21-L192 HydrophobicContact CD1-CD2 4.05Å; I188-L192 HydrophobicContact CG2-CD1 3.82Å; I188-L192 HydrophobicContact CG2-CG 4.31Å; I188-L192 WeakPolarHBondContact O-CB 3.2Å; I188-L192 VanDerWaalsContact O-CG 3.27Å; I188-L192 WeakPolarHBondContact O-CG 3.31Å; I188-L192 PolarHBondContact O-N 3.14Å; I189-L192 PolarHBondContact O-N 3.17Å; I190-L192 PolarHBondContact O-N 3.49Å; L192-T195 PolarHBondContact O-N 3.49Å; L192-G196 PolarHBondContact O-N 3.36Å |
| 193 | V | 91.7 | Very high | 89 | Confident | 83 Ų | 83 | 90.1 Ų | 90.1 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 176.8 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | I189 I190 G196 I197 | I189-V193 HydrophobicContact CG2-CG2 4.41Å; I189-V193 WeakPolarHBondContact O-CB 3.25Å; I189-V193 VanDerWaalsContact O-CG2 3.3Å; I189-V193 WeakPolarHBondContact O-CG2 3.46Å; I189-V193 PolarHBondContact O-N 2.91Å; I190-V193 PolarHBondContact O-N 2.89Å; V193-G196 PolarHBondContact O-N 2.92Å; V193-I197 HydrophobicContact CG1-CD1 3.84Å; V193-I197 VanDerWaalsContact O-CG1 3.28Å; V193-I197 WeakPolarHBondContact O-CG1 3.49Å; V193-I197 PolarHBondContact O-N 3.5Å |
| 194 | A | 92.7 | Very high | 88.9 | Confident | 42 Ų | 42 | 90 Ų | 90 | 35% | 0.347 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I190 G196 I197 I198 | I190-A194 VanDerWaalsContact O-CB 3.31Å; I190-A194 WeakPolarHBondContact O-CB 3.3Å; I190-A194 PolarHBondContact O-N 3.01Å; A194-G196 PolarHBondContact O-N 2.88Å; A194-I197 PolarHBondContact O-N 3.32Å; A194-I198 WeakPolarHBondContact O-CB 3.44Å; A194-I198 VanDerWaalsContact O-CG1 3.26Å; A194-I198 WeakPolarHBondContact O-CG1 3.47Å; A194-I198 PolarHBondContact O-N 3.48Å |
| 195 | T | 89.7 | Confident | 88.3 | Confident | 80 Ų | 80 | 94.1 Ų | 94.1 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 177 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | V191 L192 I198 F199 | V191-T195 WeakPolarHBondContact O-CB 3.48Å; V191-T195 PolarHBondContact O-N 3.46Å; V191-T195 PolarHBondContact O-OG1 2.96Å; L192-T195 PolarHBondContact O-N 3.49Å; T195-I198 PolarHBondContact O-N 2.92Å; T195-F199 VanDerWaalsContact O-CB 3.22Å; T195-F199 WeakPolarHBondContact O-CB 3.37Å; T195-F199 PolarHBondContact O-N 2.71Å |
| 196 | G | 87.3 | Confident | 87.7 | Confident | 41 Ų | 41 | 92.1 Ų | 92.1 | 42% | 0.423 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L192 V193 A194 K200 | L192-G196 PolarHBondContact O-N 3.36Å; V193-G196 PolarHBondContact O-N 2.92Å; A194-G196 PolarHBondContact O-N 2.88Å; G196-K200 WeakPolarHBondContact O-CB 3.43Å; G196-K200 PolarHBondContact O-N 3.28Å |
| 197 | I | 90.8 | Very high | 86.5 | Confident | 98 Ų | 98 | 93.4 Ų | 93.4 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.3 | -49.3 | 173.5 | -67.9 | 163.5 | 0 | 0 | 0 | 110.1 | V193 A194 F199 K200 F201 | V193-I197 HydrophobicContact CG1-CD1 3.84Å; V193-I197 VanDerWaalsContact O-CG1 3.28Å; V193-I197 WeakPolarHBondContact O-CG1 3.49Å; V193-I197 PolarHBondContact O-N 3.5Å; A194-I197 PolarHBondContact O-N 3.32Å; I197-F199 PolarHBondContact O-N 2.89Å; I197-K200 PolarHBondContact O-N 3.33Å; I197-F201 HydrophobicContact CG2-CD2 4.48Å; I197-F201 WeakPolarHBondContact O-CB 3.47Å; I197-F201 PolarHBondContact O-N 3.34Å |
| 198 | I | 90.2 | Very high | 85 | Confident | 107 Ų | 107 | 97.1 Ų | 97.1 | 55% | 0.549 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59 | -47.1 | 177.8 | -68.3 | 163.3 | 0 | 0 | 0 | 110.1 | A194 T195 K200 F201 C202 | A194-I198 WeakPolarHBondContact O-CB 3.44Å; A194-I198 VanDerWaalsContact O-CG1 3.26Å; A194-I198 WeakPolarHBondContact O-CG1 3.47Å; A194-I198 PolarHBondContact O-N 3.48Å; T195-I198 PolarHBondContact O-N 2.92Å; I198-K200 PolarHBondContact O-N 2.94Å; I198-F201 PolarHBondContact O-N 2.95Å; I198-C202 VanDerWaalsContact O-CB 3.25Å; I198-C202 WeakPolarHBondContact O-CB 3.4Å; I198-C202 PolarHBondContact O-N 3.23Å; I198-C202 PolarHBondContact O-SG 2.92Å |
| 199 | F | 88.8 | Confident | 83.6 | Confident | 107 Ų | 107 | 102.2 Ų | 102.2 | 47% | 0.469 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 177.3 | -171.8 | -93.3 | 0 | 0 | 0 | 111.5 | T195 I197 F201 C202 W203 | T195-F199 VanDerWaalsContact O-CB 3.22Å; T195-F199 WeakPolarHBondContact O-CB 3.37Å; T195-F199 PolarHBondContact O-N 2.71Å; I197-F199 PolarHBondContact O-N 2.89Å; F199-F201 PolarHBondContact O-N 2.95Å; F199-C202 PolarHBondContact O-N 3.4Å; F199-W203 VanDerWaalsContact O-CB 3.25Å; F199-W203 WeakPolarHBondContact O-CB 3.47Å; F199-W203 PolarHBondContact O-N 2.82Å |
| 200 | K | 88 | Confident | 82.1 | Confident | 158 Ų | 158 | 106.2 Ų | 106.2 | 69% | 0.687 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63 | -38.4 | 175.6 | -177.7 | 173.5 | 172.2 | 63.8 | 0 | 112.5 | G196 I197 I198 W203 D204 | G196-K200 WeakPolarHBondContact O-CB 3.43Å; G196-K200 PolarHBondContact O-N 3.28Å; I197-K200 PolarHBondContact O-N 3.33Å; I198-K200 PolarHBondContact O-N 2.94Å; K200-W203 PolarHBondContact O-N 3.11Å; K200-D204 WeakPolarHBondContact O-CB 3.5Å; K200-D204 PolarHBondContact O-N 2.83Å |
| 201 | F | 84.5 | Confident | 80.3 | Confident | 123 Ų | 123 | 111.7 Ų | 111.7 | 54% | 0.539 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.1 | -44.7 | 176.4 | -121.3 | -88.6 | 0 | 0 | 0 | 112.2 | I197 I198 F199 W203 D204 R205 | I197-F201 HydrophobicContact CG2-CD2 4.48Å; I197-F201 WeakPolarHBondContact O-CB 3.47Å; I197-F201 PolarHBondContact O-N 3.34Å; I198-F201 PolarHBondContact O-N 2.95Å; F199-F201 PolarHBondContact O-N 2.95Å; F201-W203 VanDerWaalsContact C-N 3.28Å; F201-W203 PolarHBondContact O-N 3.47Å; F201-D204 PolarHBondContact O-N 2.76Å; F201-R205 WeakPolarHBondContact O-CB 3.41Å; F201-R205 PolarHBondContact O-N 3.28Å |
| 202 | C | 85.7 | Confident | 78.4 | Confident | 77 Ų | 77 | 113 Ų | 113 | 52% | 0.52 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.2 | -38.5 | 173.1 | -75.1 | 0 | 0 | 0 | 0 | 110.8 | I198 F199 S206 | I198-C202 VanDerWaalsContact O-CB 3.25Å; I198-C202 WeakPolarHBondContact O-CB 3.4Å; I198-C202 PolarHBondContact O-N 3.23Å; I198-C202 PolarHBondContact O-SG 2.92Å; F199-C202 PolarHBondContact O-N 3.4Å; C202-S206 WeakPolarHBondContact O-CA 3.42Å; C202-S206 WeakPolarHBondContact O-CB 3.08Å; C202-S206 PolarHBondContact O-N 2.88Å |
| 203 | W | 80.9 | Confident | 76.7 | Confident | 123 Ų | 123 | 111.8 Ų | 111.8 | 47% | 0.466 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.5 | -45.4 | 177 | -162.7 | -108.6 | 0 | 0 | 0 | 112.5 | F199 K200 F201 R205 S206 Q207 | F199-W203 VanDerWaalsContact O-CB 3.25Å; F199-W203 WeakPolarHBondContact O-CB 3.47Å; F199-W203 PolarHBondContact O-N 2.82Å; K200-W203 PolarHBondContact O-N 3.11Å; F201-W203 VanDerWaalsContact C-N 3.28Å; F201-W203 PolarHBondContact O-N 3.47Å; W203-R205 PolarHBondContact O-N 3.35Å; W203-S206 CarbonylContact O-C 3.59Å; W203-S206 PolarHBondContact O-N 3.12Å; W203-Q207 WeakPolarHBondContact O-CG 3.49Å; W203-Q207 PolarHBondContact O-N 3.43Å |
| 204 | D | 85.8 | Confident | 74.8 | Confident | 75 Ų | 75 | 111.1 Ų | 111.1 | 40% | 0.401 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.8 | -44.6 | 175.1 | 177.1 | 79.1 | 0 | 0 | 0 | 111.8 | K200 F201 Q207 K208 | K200-D204 WeakPolarHBondContact O-CB 3.5Å; K200-D204 PolarHBondContact O-N 2.83Å; F201-D204 PolarHBondContact O-N 2.76Å; D204-Q207 PolarHBondContact O-N 3.09Å; D204-K208 PolarHBondContact O-N 3.37Å; D204-K208 VanDerWaalsContact O-N 3.08Å; D204-K208 IonicContact OD1-NZ 3.37Å; D204-K208 PolarHBondContact OD1-NZ 3.25Å; D204-K208 IonicContact OD2-NZ 2.67Å; D204-K208 PolarHBondContact OD2-NZ 3.06Å |
| 205 | R | 76.8 | Confident | 72.8 | Confident | 168 Ų | 168 | 116.8 Ų | 116.8 | 63% | 0.634 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.7 | -33.3 | 172.9 | -76.9 | -172.4 | 170.1 | 166.6 | -1.6 | 113 | F201 W203 K208 R209 | F201-R205 WeakPolarHBondContact O-CB 3.41Å; F201-R205 PolarHBondContact O-N 3.28Å; W203-R205 PolarHBondContact O-N 3.35Å; R205-K208 PolarHBondContact O-N 3.45Å; R205-R209 PolarHBondContact O-N 2.88Å |
| 206 | S | 72.6 | Confident | 71 | Confident | 34 Ų | 34 | 120.8 Ų | 120.8 | 24% | 0.238 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -67.7 | -38.9 | 175 | -168.4 | 0 | 0 | 0 | 0 | 110.7 | C202 W203 K208 R209 R210 | C202-S206 WeakPolarHBondContact O-CA 3.42Å; C202-S206 WeakPolarHBondContact O-CB 3.08Å; C202-S206 PolarHBondContact O-N 2.88Å; W203-S206 CarbonylContact O-C 3.59Å; W203-S206 PolarHBondContact O-N 3.12Å; S206-K208 PolarHBondContact O-N 3.45Å; S206-R209 CarbonylContact O-C 3.56Å; S206-R209 PolarHBondContact O-N 3.43Å; S206-R209 VanDerWaalsContact O-N 3.16Å; S206-R210 VanDerWaalsContact O-CB 3.3Å; S206-R210 WeakPolarHBondContact O-CB 3.33Å; S206-R210 VanDerWaalsContact O-CG 3.25Å; S206-R210 WeakPolarHBondContact O-CG 3.27Å; S206-R210 PolarHBondContact O-N 3.48Å; S206-R210 PolarHBondContact OG-NE 3.31Å |
| 207 | Q | 66.9 | Low | 69.2 | Low | 116 Ų | 116 | 120.9 Ų | 120.9 | 54% | 0.542 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.1 | -41.3 | 171.7 | -71.9 | -159.7 | 0.1 | 0 | 0 | 112 | W203 D204 R209 R210 | W203-Q207 WeakPolarHBondContact O-CG 3.49Å; W203-Q207 PolarHBondContact O-N 3.43Å; D204-Q207 PolarHBondContact O-N 3.09Å; Q207-R209 VanDerWaalsContact C-N 3.29Å; Q207-R209 PolarHBondContact O-N 3.04Å; Q207-R210 PolarHBondContact O-N 2.97Å |
| 208 | K | 62 | Low | 67.2 | Low | 144 Ų | 144 | 119 Ų | 119 | 63% | 0.626 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.2 | -28.2 | 172.7 | -75 | 163.1 | 179.4 | 150.7 | 0 | 113.5 | D204 R205 S206 | D204-K208 PolarHBondContact O-N 3.37Å; D204-K208 VanDerWaalsContact O-N 3.08Å; D204-K208 IonicContact OD1-NZ 3.37Å; D204-K208 PolarHBondContact OD1-NZ 3.25Å; D204-K208 IonicContact OD2-NZ 2.67Å; D204-K208 PolarHBondContact OD2-NZ 3.06Å; R205-K208 PolarHBondContact O-N 3.45Å; S206-K208 PolarHBondContact O-N 3.45Å |
| 209 | R | 57.7 | Low | 65.3 | Low | 196 Ų | 196 | 120 Ų | 120 | 74% | 0.74 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -86.5 | -29.8 | 173.3 | -90.4 | -174.4 | 169.1 | -109.9 | 2 | 114.5 | R205 S206 Q207 R211 S213 | R205-R209 PolarHBondContact O-N 2.88Å; S206-R209 CarbonylContact O-C 3.56Å; S206-R209 PolarHBondContact O-N 3.43Å; S206-R209 VanDerWaalsContact O-N 3.16Å; Q207-R209 VanDerWaalsContact C-N 3.29Å; Q207-R209 PolarHBondContact O-N 3.04Å; R209-R211 PolarHBondContact O-N 3.06Å; R209-S213 WeakPolarHBondContact O-CB 2.97Å; R209-S213 PolarHBondContact O-N 2.88Å; R209-S213 PolarHBondContact O-OG 2.92Å |
| 210 | R | 57.5 | Low | 63.4 | Low | 179 Ų | 179 | 123.7 Ų | 123.7 | 68% | 0.675 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -1.3 | 179.5 | -76.4 | 177.5 | -174.2 | -96.6 | 4.8 | 113.6 | S206 Q207 | S206-R210 VanDerWaalsContact O-CB 3.3Å; S206-R210 WeakPolarHBondContact O-CB 3.33Å; S206-R210 VanDerWaalsContact O-CG 3.25Å; S206-R210 WeakPolarHBondContact O-CG 3.27Å; S206-R210 PolarHBondContact O-N 3.48Å; S206-R210 PolarHBondContact OG-NE 3.31Å; Q207-R210 PolarHBondContact O-N 2.97Å |
| 211 | R | 55.6 | Low | 61.6 | Low | 220 Ų | 220 | 121.9 Ų | 121.9 | 83% | 0.83 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.3 | 95.3 | 162.6 | -54.9 | -172.4 | -171.9 | -152.3 | 4.2 | 107.7 | R209 | R209-R211 PolarHBondContact O-N 3.06Š|
| 212 | P | 53 | Low | 59.9 | Low | 110 Ų | 110 | 121.9 Ų | 121.9 | 71% | 0.714 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -140.9 | 60.3 | 23.2 | 40.4 | -18 | 0 | 0 | 0 | 114.4 | G214 | P212-G214 PolarHBondContact O-N 3.42Å; P212-G214 VanDerWaalsContact O-N 3.12Å |
| 213 | S | 53.2 | Low | 58.2 | Low | 67 Ų | 67 | 125.8 Ų | 125.8 | 47% | 0.469 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73 | 0.2 | -176 | 64.9 | 0 | 0 | 0 | 0 | 116.3 | R209 Q215 | R209-S213 WeakPolarHBondContact O-CB 2.97Å; R209-S213 PolarHBondContact O-N 2.88Å; R209-S213 PolarHBondContact O-OG 2.92Å; S213-Q215 VanDerWaalsContact C-N 3.25Å; S213-Q215 PolarHBondContact O-N 3.03Å |
| 214 | G | 51.1 | Low | 56.7 | Low | 69 Ų | 69 | 124 Ų | 124 | 71% | 0.711 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -14 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | P212 | P212-G214 PolarHBondContact O-N 3.42Å; P212-G214 VanDerWaalsContact O-N 3.12Å |
| 215 | Q | 51.1 | Low | 54.8 | Low | 160 Ų | 160 | 127.5 Ų | 127.5 | 75% | 0.748 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -22.8 | 178.7 | -95.9 | -179.8 | -25.9 | 0 | 0 | 114.8 | S213 | S213-Q215 VanDerWaalsContact C-N 3.25Å; S213-Q215 PolarHBondContact O-N 3.03Å |
| 216 | Q | 52.1 | Low | 53.2 | Low | 165 Ų | 165 | 126.5 Ų | 126.5 | 77% | 0.771 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -94.8 | -21.1 | 180 | -79.9 | -176.6 | -21 | 0 | 0 | 113.8 | | |
| 217 | G | 49.8 | Very low | 51.7 | Low | 43 Ų | 43 | 129.5 Ų | 129.5 | 44% | 0.443 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -69.8 | -44.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q221 | G217-Q221 VanDerWaalsContact O-CB 3.31Å; G217-Q221 WeakPolarHBondContact O-CB 3.27Å; G217-Q221 PolarHBondContact O-N 3.49Å |
| 218 | A | 47.9 | Very low | 50.9 | Low | 59 Ų | 59 | 132.7 Ų | 132.7 | 49% | 0.488 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -62.9 | -51 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | R220 Q221 E222 | A218-R220 PolarHBondContact O-N 3.49Å; A218-Q221 PolarHBondContact O-N 3.29Å; A218-Q221 VanDerWaalsContact O-N 3.09Å; A218-E222 PolarHBondContact O-N 2.89Å |
| 219 | L | 49.9 | Very low | 50.1 | Low | 128 Ų | 128 | 130.8 Ų | 130.8 | 67% | 0.67 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -63.7 | -34.7 | -176 | -102.1 | 171.5 | 0 | 0 | 0 | 114.3 | | |
| 220 | R | 49.5 | Very low | 49.4 | Very low | 184 Ų | 184 | 129 Ų | 129 | 69% | 0.694 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -79.5 | -22.5 | 174 | -78.3 | -144 | 76.4 | 178.9 | 5.2 | 113.8 | A218 S224 | A218-R220 PolarHBondContact O-N 3.49Å; R220-S224 PolarHBondContact O-OG 3.34Å |
| 221 | Q | 49.4 | Very low | 48.8 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 56% | 0.556 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -85.1 | -31.7 | -179.9 | -166.3 | 170.7 | -2.3 | 0 | 0 | 112 | G217 A218 S224 Q225 | G217-Q221 VanDerWaalsContact O-CB 3.31Å; G217-Q221 WeakPolarHBondContact O-CB 3.27Å; G217-Q221 PolarHBondContact O-N 3.49Å; A218-Q221 PolarHBondContact O-N 3.29Å; A218-Q221 VanDerWaalsContact O-N 3.09Å; Q221-S224 PolarHBondContact O-N 3.1Å; Q221-Q225 PolarHBondContact O-N 3.13Å |
| 222 | E | 49.8 | Very low | 48.2 | Very low | 123 Ų | 123 | 123.7 Ų | 123.7 | 58% | 0.575 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -65.1 | -45.9 | 174.9 | -160.6 | 166 | 105.2 | 0 | 0 | 111.6 | A218 S224 Q225 Q226 | A218-E222 PolarHBondContact O-N 2.89Å; E222-S224 PolarHBondContact O-N 3.43Å; E222-Q225 PolarHBondContact O-N 3.39Å; E222-Q226 PolarHBondContact O-N 2.91Å |
| 223 | E | 49.1 | Very low | 47.9 | Very low | 159 Ų | 159 | 124.6 Ų | 124.6 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -19.5 | 174.5 | -165.7 | 179.9 | 93.4 | 0 | 0 | 113.4 | | |
| 224 | S | 50.6 | Low | 47.5 | Very low | 87 Ų | 87 | 126.1 Ų | 126.1 | 61% | 0.608 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -7.1 | -178.1 | -57.2 | 0 | 0 | 0 | 0 | 114.5 | R220 Q221 E222 | R220-S224 PolarHBondContact O-OG 3.34Å; Q221-S224 PolarHBondContact O-N 3.1Å; E222-S224 PolarHBondContact O-N 3.43Å |
| 225 | Q | 46.1 | Very low | 47.2 | Very low | 148 Ų | 148 | 126.4 Ų | 126.4 | 69% | 0.692 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.1 | 10.7 | -170.4 | -66 | -164.7 | -18 | 0 | 0 | 115.2 | Q221 E222 | Q221-Q225 PolarHBondContact O-N 3.13Å; E222-Q225 PolarHBondContact O-N 3.39Å |
| 226 | Q | 42.5 | Very low | 47.1 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | | | trans | -80.7 | 130.4 | 176.6 | -129.7 | 152.1 | 12.2 | 0 | 0 | 111.1 | E222 | E222-Q226 PolarHBondContact O-N 2.91Š|
| 227 | P | 41.4 | Very low | 46.7 | Very low | 97 Ų | 97 | 123 Ų | 123 | 63% | 0.63 | 71% | 0.71 | S | S | * | * | | | trans | -81 | 155 | -155.4 | 31 | -37.3 | 0 | 0 | 0 | 114.6 | T229 | P227-T229 PolarHBondContact O-N 3.04Š|
| 228 | L | 49.3 | Very low | 46.4 | Very low | 183 Ų | 183 | 126.9 Ų | 126.9 | 96% | 0.958 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -69.6 | 68.3 | 165.5 | -80 | 72.7 | 0 | 0 | 0 | 110 | | |
| 229 | T | 45.9 | Very low | 46.4 | Very low | 104 Ų | 104 | 133 Ų | 133 | 64% | 0.638 | 75% | 0.748 | S | S | * | * | | | trans | -153.9 | 74.1 | -179.8 | -36.3 | 0 | 0 | 0 | 0 | 111.5 | P227 | P227-T229 PolarHBondContact O-N 3.04Š|
| 230 | D | 42.2 | Very low | 46 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | | | | -163.7 | 127.6 | 124.9 | -111.7 | -26.3 | 0 | 0 | 0 | 112.9 | | |
| 231 | L | 45.9 | Very low | 45.9 | Very low | 173 Ų | 173 | 126.4 Ų | 126.4 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | | | trans | -99.1 | 113.1 | 169.4 | -74.8 | 163.3 | 0 | 0 | 0 | 107.7 | | |
| 232 | S | 41.7 | Very low | 45.5 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -154.3 | 109.8 | 164.3 | -150.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 233 | P | 47.1 | Very low | 45.3 | Very low | 128 Ų | 128 | 128.8 Ų | 128.8 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | | | trans | -100 | 110.2 | -176.5 | 34.6 | -29.1 | 0 | 0 | 0 | 112.5 | | |
| 234 | A | 45.8 | Very low | 45.1 | Very low | 100 Ų | 100 | 129 Ų | 129 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | | | trans | -159.2 | 101.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 235 | G | 43.4 | Very low | 44.4 | Very low | 75 Ų | 75 | 130.7 Ų | 130.7 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | 77.4 | 150.9 | 168 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 236 | V | 48.9 | Very low | 44.8 | Very low | 133 Ų | 133 | 128.7 Ų | 128.7 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | | | cis | -145 | 134.7 | -0.3 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 237 | T | 43.8 | Very low | 45 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | | | trans | -14.7 | 146.6 | 151.4 | 10.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 238 | V | 45 | Very low | 45.6 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | | | cis | -154.3 | 135.7 | 24.9 | 179.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 239 | L | 47.6 | Very low | 45.5 | Very low | 186 Ų | 186 | 125 Ų | 125 | 97% | 0.974 | 80% | 0.798 | S | S | * | * | | | trans | -170.3 | 79.7 | 150.3 | -111.9 | 161.2 | 0 | 0 | 0 | 110.8 | | |
| 240 | G | 40.6 | Very low | 45.9 | Very low | 72 Ų | 72 | 124.7 Ų | 124.7 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | | | trans | -160 | 108.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 241 | A | 48.5 | Very low | 46.2 | Very low | 103 Ų | 103 | 124 Ų | 124 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | 165.9 | 93.4 | 154.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 242 | F | 40.8 | Very low | 46.5 | Very low | 224 Ų | 224 | 123.8 Ų | 123.8 | 98% | 0.982 | 79% | 0.788 | S | S | * | * | | | trans | -72.3 | 141.6 | 151.7 | -81.9 | -108.4 | 0 | 0 | 0 | 107.6 | | |
| 243 | G | 45.2 | Very low | 46.6 | Very low | 67 Ų | 67 | 125.7 Ų | 125.7 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | trans | 146.7 | 85 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 244 | D | 43.9 | Very low | 46.9 | Very low | 165 Ų | 165 | 126.9 Ų | 126.9 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | | | trans | 52.7 | 126.1 | 140.1 | -54.7 | -37.8 | 0 | 0 | 0 | 123.6 | | |
| 245 | S | 37.5 | Very low | 47 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | | | trans | 119.4 | 137.9 | 130.4 | -150.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 246 | P | 54.4 | Low | 47.3 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | | | trans | -123.6 | -161.7 | -151.5 | 40.7 | -23.8 | 0 | 0 | 0 | 115.1 | | |
| 247 | T | 47.1 | Very low | 47.1 | Very low | 124 Ų | 124 | 132 Ų | 132 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | | | trans | 89.5 | 150.5 | 160.4 | 10 | 0 | 0 | 0 | 0 | 116.9 | | |
| 248 | P | 52.4 | Low | 47.2 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 63% | 0.63 | 78% | 0.778 | S | S | * | * | | | | -143.2 | 174.5 | -97.3 | 42.7 | -25.1 | 0 | 0 | 0 | 118.6 | | |
| 249 | T | 47.2 | Very low | 47.4 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | trans | 65.1 | 166.3 | 147.8 | 35.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 250 | P | 54.7 | Low | 47.8 | Very low | 98 Ų | 98 | 132 Ų | 132 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | | | cis | -139 | -175.4 | -19.2 | 35.3 | -14.2 | 0 | 0 | 0 | 116.3 | | |
| 251 | D | 48.6 | Very low | 48.2 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | trans | 62.4 | 113.9 | 148.4 | -55.4 | -30.4 | 0 | 0 | 0 | 123.8 | | |
| 252 | H | 51.5 | Low | 48.2 | Very low | 169 Ų | 169 | 133.2 Ų | 133.2 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | | | | -161.2 | 149.1 | 118.1 | -135.4 | -86.2 | 0 | 0 | 0 | 114.2 | | |
| 253 | E | 45.6 | Very low | 48.6 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | | | trans | -45.8 | 171.7 | 176.4 | -54.3 | 175 | 78.7 | 0 | 0 | 118 | | |
| 254 | E | 51.9 | Low | 48.8 | Very low | 154 Ų | 154 | 133.1 Ų | 133.1 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | | | cis | -158.7 | 171.7 | -4.4 | -124.1 | -116.7 | -36.5 | 0 | 0 | 108.3 | | |
| 255 | P | 49 | Very low | 48.9 | Very low | 91 Ų | 91 | 134.7 Ų | 134.7 | 59% | 0.591 | 77% | 0.773 | S | S | * | * | | | trans | -111.3 | 173 | -167.5 | 41.3 | -31.4 | 0 | 0 | 0 | 115.4 | | |
| 256 | R | 48.4 | Very low | 49.6 | Very low | 244 Ų | 244 | 134 Ų | 134 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | | | trans | 178.2 | 133.9 | 135.3 | -101.3 | 159.1 | -179.2 | 169.8 | 4.1 | 113.2 | | |
| 257 | G | 44.9 | Very low | 49 | Very low | 81 Ų | 81 | 139 Ų | 139 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | | | trans | 132.6 | 85.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 258 | G | 46.8 | Very low | 48.7 | Very low | 76 Ų | 76 | 136.4 Ų | 136.4 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | | | trans | -89.6 | -162.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 259 | P | 49.8 | Very low | 48.3 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | cis | -142.5 | 173.3 | 1.2 | 41.6 | -23.6 | 0 | 0 | 0 | 117.4 | | |
| 260 | R | 55.7 | Low | 48.4 | Very low | 236 Ų | 236 | 136.2 Ų | 136.2 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | | | trans | 84.9 | 158.4 | 141.9 | -96.3 | -176.4 | -176.9 | -136.9 | -1.1 | 120.1 | | |
| 261 | P | 48.9 | Very low | 47.9 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | | | | -134.4 | 169.9 | -108.8 | 42.5 | -25.3 | 0 | 0 | 0 | 116.9 | | |
| 262 | G | 46.8 | Very low | 47.9 | Very low | 77 Ų | 77 | 137.6 Ų | 137.6 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | trans | -151.9 | 114.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 263 | M | 50.8 | Low | 47.9 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 151.9 | -173.3 | -151.8 | 54.8 | 177.1 | 0 | 0 | 111.4 | | |
| 264 | P | 48.8 | Very low | 48.2 | Very low | 102 Ų | 102 | 137.5 Ų | 137.5 | 66% | 0.662 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 159.6 | -161.7 | 35 | -36.2 | 0 | 0 | 0 | 115.4 | P266 | P264-P266 WeakPolarHBondContact O-CD 3.24Š|
| 265 | H | 46.2 | Very low | 48.1 | Very low | 199 Ų | 199 | 137.4 Ų | 137.4 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 135.7 | 164.9 | -85.7 | -131.3 | 0 | 0 | 0 | 111.9 | | |
| 266 | P | 51.2 | Low | 48.5 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 69% | 0.688 | 81% | 0.806 | S | S | * | * | | | trans | -126.8 | 146.7 | 158.9 | 36.2 | -23 | 0 | 0 | 0 | 113.3 | P264 | P264-P266 WeakPolarHBondContact O-CD 3.24Š|
| 267 | K | 42.3 | Very low | 49.3 | Very low | 211 Ų | 211 | 138.6 Ų | 138.6 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | | | trans | 44.2 | 126.6 | 147.2 | -59.5 | 169.4 | 178 | 175.7 | 0 | 118.1 | | |
| 268 | G | 40.4 | Very low | 50.3 | Low | 70 Ų | 70 | 139.7 Ų | 139.7 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | | | cis | 122.7 | 147.2 | 20.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 269 | A | 45.6 | Very low | 51.1 | Low | 101 Ų | 101 | 143.8 Ų | 143.8 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | trans | 71.7 | 161.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 270 | P | 47.8 | Very low | 52.1 | Low | 119 Ų | 119 | 144 Ų | 144 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | cis | -131.6 | -176 | -37 | 34.6 | -17.4 | 0 | 0 | 0 | 113 | | |
| 271 | A | 45.5 | Very low | 52.2 | Low | 76 Ų | 76 | 140.8 Ų | 140.8 | 63% | 0.628 | 79% | 0.793 | S | S | * | * | | | trans | -70.1 | -172.1 | 168 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 272 | F | 47.1 | Very low | 52.1 | Low | 196 Ų | 196 | 146.6 Ų | 146.6 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | | | trans | 80.4 | 98.6 | 179 | -46.2 | -71.8 | 0 | 0 | 0 | 116.6 | | |
| 273 | Q | 51.4 | Low | 52.3 | Low | 158 Ų | 158 | 150.1 Ų | 150.1 | 74% | 0.738 | 82% | 0.817 | S | S | * | * | | | | -155.7 | 90.8 | 126.2 | -76.4 | -143.6 | 28.5 | 0 | 0 | 109.7 | | |
| 274 | L | 52 | Low | 52.4 | Low | 162 Ų | 162 | 148.2 Ų | 148.2 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | | | trans | -76.2 | 160.8 | 151.9 | -101.7 | 80 | 0 | 0 | 0 | 108.7 | | |
| 275 | N | 50.6 | Low | 52.6 | Low | 153 Ų | 153 | 150.8 Ų | 150.8 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | 67.8 | 63.3 | 173.6 | -71.3 | -1.4 | 0 | 0 | 0 | 117.8 | | |
| 276 | R | 58.5 | Low | 53 | Low | 212 Ų | 212 | 147.9 Ų | 147.9 | 80% | 0.8 | 81% | 0.814 | S | S | * | * | | | trans | -129.4 | 111.1 | 142.6 | -74.8 | -168.2 | 172.4 | 163.6 | -0.7 | 111.5 | | |
| 277 | I | 64.3 | Low | 53.1 | Low | 148 Ų | 148 | 150.6 Ų | 150.6 | 76% | 0.759 | 82% | 0.822 | S | S | * | * | | | trans | -79.4 | 125.4 | 168.6 | -64.1 | 156 | 0 | 0 | 0 | 107.3 | L279 | I277-L279 HydrophobicContact CG2-CD1 4.31Å; I277-L279 PolarHBondContact O-N 2.68Å |
| 278 | P | 65.8 | Low | 53.8 | Low | 103 Ų | 103 | 146.5 Ų | 146.5 | 67% | 0.669 | 82% | 0.816 | S | S | * | * | | | trans | -79.2 | 104.7 | 167.8 | 30.5 | -30.2 | 0 | 0 | 0 | 109.5 | V280 | P278-V280 PolarHBondContact O-N 3.02Å; P278-V280 VanDerWaalsContact O-N 3.15Å |
| 279 | L | 63.6 | Low | 54.8 | Low | 163 Ų | 163 | 152 Ų | 152 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | | | trans | -69.7 | 101.9 | 155.4 | -95.1 | 83.1 | 0 | 0 | 0 | 107.4 | I277 | I277-L279 HydrophobicContact CG2-CD1 4.31Å; I277-L279 PolarHBondContact O-N 2.68Å |
| 280 | V | 71.4 | Confident | 55.5 | Low | 122 Ų | 122 | 155.9 Ų | 155.9 | 74% | 0.739 | 82% | 0.821 | S | S | * | * | | | trans | -113.5 | 87.6 | 167.3 | -80.9 | 0 | 0 | 0 | 0 | 108.9 | P278 | P278-V280 PolarHBondContact O-N 3.02Å; P278-V280 VanDerWaalsContact O-N 3.15Å |
| 281 | N | 57.3 | Low | 56.1 | Low | 168 Ų | 168 | 159 Ų | 159 | 90% | 0.898 | 83% | 0.825 | S | S | * | * | | | trans | -157.4 | 69.8 | 156.6 | -105.5 | -21.1 | 0 | 0 | 0 | 107.6 | | |
| 282 | L | 46.3 | Very low | 57.1 | Low | 247 Ų | 247 | 166.5 Ų | 166.5 | 100% | 1.293 | 84% | 0.843 | S | S | * | * | | | trans | -119.4 | 0 | 148.7 | -91.7 | 119.3 | 0 | 0 | 0 | 106 | | |