| 1 | M | 43.7 | Very low | 58.3 | Low | 231 Ų | 231 | 125.6 Ų | 125.6 | 100% | 1.138 | 68% | 0.684 | S | S | * | * | | | | 0 | 124.3 | 0 | -65.8 | -169.5 | 121.4 | 0 | 0 | 108.3 | | |
| 2 | A | 47 | Very low | 59.5 | Low | 97 Ų | 97 | 122.5 Ų | 122.5 | 80% | 0.802 | 67% | 0.666 | S | S | * | * | | | trans | -80.5 | 135.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | P4 | A2-P4 WeakPolarHBondContact O-CD 3.49Š|
| 3 | W | 52.8 | Low | 60.3 | Low | 220 Ų | 220 | 117.8 Ų | 117.8 | 83% | 0.833 | 65% | 0.654 | S | S | * | * | | | trans | -111.3 | 88.5 | 168.9 | -81.7 | 66.8 | 0 | 0 | 0 | 109.1 | C5 | W3-C5 VanDerWaalsContact C-N 3.32Å; W3-C5 PolarHBondContact O-N 3.23Å |
| 4 | P | 58.6 | Low | 60.8 | Low | 96 Ų | 96 | 123.2 Ų | 123.2 | 62% | 0.623 | 66% | 0.659 | S | S | * | * | | | trans | -85 | 0.5 | -177 | 34.2 | -35.8 | 0 | 0 | 0 | 114.1 | A2 | A2-P4 WeakPolarHBondContact O-CD 3.49Š|
| 5 | C | 52.3 | Low | 60.6 | Low | 93 Ų | 93 | 122.7 Ų | 122.7 | 63% | 0.628 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -89.5 | -20.1 | -159.3 | -51.1 | 0 | 0 | 0 | 0 | 115.7 | W3 | W3-C5 VanDerWaalsContact C-N 3.32Å; W3-C5 PolarHBondContact O-N 3.23Å |
| 6 | I | 59.9 | Low | 60.8 | Low | 118 Ų | 118 | 125.8 Ų | 125.8 | 61% | 0.605 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -80.8 | -24.7 | -174.2 | -78 | 168.5 | 0 | 0 | 0 | 112.7 | C10 | I6-C10 WeakPolarHBondContact O-CB 3.45Å; I6-C10 PolarHBondContact O-N 3.33Å; I6-C10 PolarHBondContact O-SG 3.12Å |
| 7 | S | 61.4 | Low | 61.2 | Low | 74 Ų | 74 | 123.8 Ų | 123.8 | 52% | 0.517 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -64.7 | -53 | -177.6 | 61.9 | 0 | 0 | 0 | 0 | 112 | V9 C10 C11 | S7-V9 PolarHBondContact O-N 3.45Å; S7-C10 CarbonylContact O-C 3.57Å; S7-C10 PolarHBondContact O-N 2.83Å; S7-C11 VanDerWaalsContact O-CB 3.28Å; S7-C11 WeakPolarHBondContact O-CB 3.38Å; S7-C11 PolarHBondContact O-N 2.71Å; S7-C11 PolarHBondContact O-SG 3.21Å |
| 8 | R | 68.9 | Low | 61 | Low | 204 Ų | 204 | 124.7 Ų | 124.7 | 77% | 0.77 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -64.6 | -37.2 | -168.4 | -157 | 169.4 | -174.9 | 105.8 | -1.7 | 113.7 | L12 | R8-L12 WeakPolarHBondContact O-CG 3.42Å; R8-L12 PolarHBondContact O-N 3.33Å |
| 9 | V | 69 | Low | 60.8 | Low | 105 Ų | 105 | 123.2 Ų | 123.2 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.3 | -40.8 | 176.2 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | S7 C11 L12 A13 | S7-V9 PolarHBondContact O-N 3.45Å; V9-C11 VanDerWaalsContact C-N 3.34Å; V9-C11 PolarHBondContact O-N 3.38Å; V9-L12 PolarHBondContact O-N 2.86Å; V9-A13 WeakPolarHBondContact O-CB 3.32Å; V9-A13 PolarHBondContact O-N 2.96Å |
| 10 | C | 63.9 | Low | 60.7 | Low | 64 Ų | 64 | 122.3 Ų | 122.3 | 43% | 0.432 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67.7 | -31.9 | 174 | -74.1 | 0 | 0 | 0 | 0 | 113.1 | I6 S7 R14 | I6-C10 WeakPolarHBondContact O-CB 3.45Å; I6-C10 PolarHBondContact O-N 3.33Å; I6-C10 PolarHBondContact O-SG 3.12Å; S7-C10 CarbonylContact O-C 3.57Å; S7-C10 PolarHBondContact O-N 2.83Å; C10-R14 PolarHBondContact O-N 3.04Å |
| 11 | C | 64.4 | Low | 60.4 | Low | 80 Ų | 80 | 123.8 Ų | 123.8 | 54% | 0.541 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.3 | -43.5 | 172.9 | -73.7 | 0 | 0 | 0 | 0 | 111 | S7 V9 R14 F15 | S7-C11 VanDerWaalsContact O-CB 3.28Å; S7-C11 WeakPolarHBondContact O-CB 3.38Å; S7-C11 PolarHBondContact O-N 2.71Å; S7-C11 PolarHBondContact O-SG 3.21Å; V9-C11 VanDerWaalsContact C-N 3.34Å; V9-C11 PolarHBondContact O-N 3.38Å; C11-R14 PolarHBondContact O-N 3.47Å; C11-F15 VanDerWaalsContact O-CB 3.27Å; C11-F15 WeakPolarHBondContact O-CB 3.37Å; C11-F15 PolarHBondContact O-N 2.74Å |
| 12 | L | 72.3 | Confident | 61.2 | Low | 88 Ų | 88 | 115.6 Ų | 115.6 | 46% | 0.461 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.5 | -49 | 171 | -73.1 | 171.2 | 0 | 0 | 0 | 110.6 | R8 V9 R14 F15 W16 | R8-L12 WeakPolarHBondContact O-CG 3.42Å; R8-L12 PolarHBondContact O-N 3.33Å; V9-L12 PolarHBondContact O-N 2.86Å; L12-R14 VanDerWaalsContact C-N 3.28Å; L12-R14 PolarHBondContact O-N 3.27Å; L12-F15 WeakPolarHBondContact O-CB 3.34Å; L12-F15 PolarHBondContact O-N 3.08Å; L12-W16 PolarHBondContact O-N 3.18Å |
| 13 | A | 69.8 | Low | 61.6 | Low | 62 Ų | 62 | 114.3 Ų | 114.3 | 51% | 0.512 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -57.7 | -38.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | V9 N17 | V9-A13 WeakPolarHBondContact O-CB 3.32Å; V9-A13 PolarHBondContact O-N 2.96Å; A13-N17 WeakPolarHBondContact O-CB 3.43Å; A13-N17 PolarHBondContact O-N 2.96Å; A13-N17 VanDerWaalsContact O-N 3.15Å |
| 14 | R | 66.9 | Low | 61.6 | Low | 193 Ų | 193 | 110.8 Ų | 110.8 | 73% | 0.728 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70.1 | -43 | 171.5 | -87 | -171.1 | 161.5 | 86.8 | -1.1 | 113 | C10 C11 L12 N17 Q18 | C10-R14 PolarHBondContact O-N 3.04Å; C11-R14 PolarHBondContact O-N 3.47Å; L12-R14 VanDerWaalsContact C-N 3.28Å; L12-R14 PolarHBondContact O-N 3.27Å; R14-N17 PolarHBondContact O-N 3.35Å; R14-Q18 WeakPolarHBondContact O-CB 3.43Å; R14-Q18 PolarHBondContact O-N 3.01Å |
| 15 | F | 58.8 | Low | 61.4 | Low | 116 Ų | 116 | 110.6 Ų | 110.6 | 51% | 0.509 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58.6 | -49.8 | 177.1 | -179.4 | -95.3 | 0 | 0 | 0 | 111 | C11 L12 N17 Q18 F19 | C11-F15 VanDerWaalsContact O-CB 3.27Å; C11-F15 WeakPolarHBondContact O-CB 3.37Å; C11-F15 PolarHBondContact O-N 2.74Å; L12-F15 WeakPolarHBondContact O-CB 3.34Å; L12-F15 PolarHBondContact O-N 3.08Å; F15-N17 PolarHBondContact O-N 3.17Å; F15-Q18 PolarHBondContact O-N 3.02Å; F15-Q18 VanDerWaalsContact O-N 3.16Å; F15-F19 HydrophobicContact CE1-CD2 4.06Å; F15-F19 AromaticContact CZ-CD2 3.92Å; F15-F19 HydrophobicContact CZ-CD2 3.92Å; F15-F19 HydrophobicContact CZ-CE2 4.21Å; F15-F19 WeakPolarHBondContact O-CB 3.36Å; F15-F19 PolarHBondContact O-N 3.26Å |
| 16 | W | 63.3 | Low | 61.6 | Low | 172 Ų | 172 | 110.2 Ų | 110.2 | 65% | 0.652 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61 | -39.8 | 175.3 | -73.8 | 105.4 | 0 | 0 | 0 | 112.5 | L12 Q18 D20 | L12-W16 PolarHBondContact O-N 3.18Å; W16-Q18 VanDerWaalsContact C-N 3.32Å; W16-Q18 PolarHBondContact O-N 2.94Å; W16-D20 VanDerWaalsContact O-CB 3.22Å; W16-D20 WeakPolarHBondContact O-CB 3.23Å; W16-D20 PolarHBondContact O-N 3.24Å |
| 17 | N | 67.1 | Low | 61.3 | Low | 91 Ų | 91 | 108.2 Ų | 108.2 | 49% | 0.487 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.5 | -28.6 | 176.6 | -158.7 | -75.3 | 0 | 0 | 0 | 113 | A13 R14 F15 K21 | A13-N17 WeakPolarHBondContact O-CB 3.43Å; A13-N17 PolarHBondContact O-N 2.96Å; A13-N17 VanDerWaalsContact O-N 3.15Å; R14-N17 PolarHBondContact O-N 3.35Å; F15-N17 PolarHBondContact O-N 3.17Å; N17-K21 WeakPolarHBondContact O-CD 3.5Å; N17-K21 WeakPolarHBondContact O-CG 3.42Å; N17-K21 WeakPolarHBondContact OD1-CE 3.43Å |
| 18 | Q | 57.3 | Low | 61 | Low | 140 Ų | 140 | 113 Ų | 113 | 65% | 0.654 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -77.5 | -44.9 | 175.4 | -165.9 | 167.9 | 0.5 | 0 | 0 | 110.7 | R14 F15 W16 D20 K21 S22 | R14-Q18 WeakPolarHBondContact O-CB 3.43Å; R14-Q18 PolarHBondContact O-N 3.01Å; F15-Q18 PolarHBondContact O-N 3.02Å; F15-Q18 VanDerWaalsContact O-N 3.16Å; W16-Q18 VanDerWaalsContact C-N 3.32Å; W16-Q18 PolarHBondContact O-N 2.94Å; Q18-D20 PolarHBondContact O-N 2.95Å; Q18-K21 WeakPolarHBondContact O-CA 3.47Å; Q18-K21 PolarHBondContact O-N 3.26Å; Q18-S22 PolarHBondContact O-N 3.15Å; Q18-S22 PolarHBondContact O-OG 3.07Å |
| 19 | F | 57.2 | Low | 60.5 | Low | 97 Ų | 97 | 108.3 Ų | 108.3 | 43% | 0.425 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -58.7 | -43.1 | 173.9 | -144.3 | -93.1 | 0 | 0 | 0 | 111.6 | F15 K21 S22 D23 | F15-F19 HydrophobicContact CE1-CD2 4.06Å; F15-F19 AromaticContact CZ-CD2 3.92Å; F15-F19 HydrophobicContact CZ-CD2 3.92Å; F15-F19 HydrophobicContact CZ-CE2 4.21Å; F15-F19 WeakPolarHBondContact O-CB 3.36Å; F15-F19 PolarHBondContact O-N 3.26Å; F19-K21 PolarHBondContact O-N 2.79Å; F19-K21 VanDerWaalsContact O-N 3.13Å; F19-S22 PolarHBondContact O-N 3.09Å; F19-D23 HydrophobicContact CD1-CB 3.63Å; F19-D23 WeakPolarHBondContact CD2-OD2 3.48Å; F19-D23 HydrophobicContact CE1-CB 3.6Å; F19-D23 HydrophobicContact CG-CB 4.16Å; F19-D23 HydrophobicContact CZ-CB 4.11Å; F19-D23 WeakPolarHBondContact O-CA 3.43Å; F19-D23 WeakPolarHBondContact O-CB 3.38Å; F19-D23 PolarHBondContact O-N 2.79Å |
| 20 | D | 58.8 | Low | 59.9 | Low | 105 Ų | 105 | 107.1 Ų | 107.1 | 56% | 0.561 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.7 | -19.5 | 175 | -170.1 | 42.8 | 0 | 0 | 0 | 113.3 | W16 Q18 | W16-D20 VanDerWaalsContact O-CB 3.22Å; W16-D20 WeakPolarHBondContact O-CB 3.23Å; W16-D20 PolarHBondContact O-N 3.24Å; Q18-D20 PolarHBondContact O-N 2.95Å |
| 21 | K | 55.3 | Low | 59.7 | Low | 154 Ų | 154 | 113.2 Ų | 113.2 | 67% | 0.67 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -101.3 | -30.1 | 178.5 | -69 | 172.1 | -173.9 | -62.4 | 0 | 114.1 | N17 Q18 F19 | N17-K21 WeakPolarHBondContact O-CD 3.5Å; N17-K21 WeakPolarHBondContact O-CG 3.42Å; N17-K21 WeakPolarHBondContact OD1-CE 3.43Å; Q18-K21 WeakPolarHBondContact O-CA 3.47Å; Q18-K21 PolarHBondContact O-N 3.26Å; F19-K21 PolarHBondContact O-N 2.79Å; F19-K21 VanDerWaalsContact O-N 3.13Å |
| 22 | S | 59.6 | Low | 59.3 | Low | 58 Ų | 58 | 113.9 Ų | 113.9 | 41% | 0.406 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -93.7 | -44.1 | 178.2 | 49.2 | 0 | 0 | 0 | 0 | 113 | Q18 F19 S25 | Q18-S22 PolarHBondContact O-N 3.15Å; Q18-S22 PolarHBondContact O-OG 3.07Å; F19-S22 PolarHBondContact O-N 3.09Å; S22-S25 PolarHBondContact O-N 3.28Å; S22-S25 PolarHBondContact O-OG 2.85Å |
| 23 | D | 55.3 | Low | 58.2 | Low | 71 Ų | 71 | 119.5 Ų | 119.5 | 38% | 0.38 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -92.6 | -7.1 | -167.8 | -64.6 | -90.5 | 0 | 0 | 0 | 113.4 | F19 S25 V26 | F19-D23 HydrophobicContact CD1-CB 3.63Å; F19-D23 WeakPolarHBondContact CD2-OD2 3.48Å; F19-D23 HydrophobicContact CE1-CB 3.6Å; F19-D23 HydrophobicContact CG-CB 4.16Å; F19-D23 HydrophobicContact CZ-CB 4.11Å; F19-D23 WeakPolarHBondContact O-CA 3.43Å; F19-D23 WeakPolarHBondContact O-CB 3.38Å; F19-D23 PolarHBondContact O-N 2.79Å; D23-S25 PolarHBondContact O-N 3.08Å; D23-V26 WeakPolarHBondContact O-CG2 3.19Å; D23-V26 PolarHBondContact O-N 3.34Å |
| 24 | L | 53.3 | Low | 57.7 | Low | 145 Ų | 145 | 120.5 Ų | 120.5 | 76% | 0.759 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -74.6 | -6.1 | 163.2 | -139.3 | 77.6 | 0 | 0 | 0 | 112.9 | | |
| 25 | S | 55.6 | Low | 57.3 | Low | 92 Ų | 92 | 116 Ų | 116 | 64% | 0.643 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -97.6 | 33.7 | 165.5 | 69 | 0 | 0 | 0 | 0 | 113.5 | S22 D23 P27 | S22-S25 PolarHBondContact O-N 3.28Å; S22-S25 PolarHBondContact O-OG 2.85Å; D23-S25 PolarHBondContact O-N 3.08Å; S25-P27 WeakPolarHBondContact O-CD 3.42Å |
| 26 | V | 54.8 | Low | 57.3 | Low | 86 Ų | 86 | 113.9 Ų | 113.9 | 52% | 0.521 | 59% | 0.586 | S | S | . | * | | | trans | -57.7 | 116.4 | 149.2 | 172.2 | 0 | 0 | 0 | 0 | 106.8 | D23 L28 | D23-V26 WeakPolarHBondContact O-CG2 3.19Å; D23-V26 PolarHBondContact O-N 3.34Å; V26-L28 PolarHBondContact O-N 3.06Å |
| 27 | P | 54.9 | Low | 57.2 | Low | 75 Ų | 75 | 108.8 Ų | 108.8 | 49% | 0.487 | 58% | 0.58 | S | S | . | * | | | trans | -67.8 | 109.5 | 179.2 | 27.3 | -32.6 | 0 | 0 | 0 | 108.7 | S25 T29 I30 | S25-P27 WeakPolarHBondContact O-CD 3.42Å; P27-T29 PolarHBondContact O-N 2.8Å; P27-I30 PolarHBondContact O-N 3.27Å |
| 28 | L | 54.9 | Low | 56.7 | Low | 175 Ų | 175 | 109.1 Ų | 109.1 | 92% | 0.916 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 11.9 | 166.9 | -65.1 | 175.3 | 0 | 0 | 0 | 112.7 | V26 | V26-L28 PolarHBondContact O-N 3.06Š|
| 29 | T | 57.1 | Low | 56.7 | Low | 105 Ų | 105 | 108.8 Ų | 108.8 | 64% | 0.644 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 18.1 | 173.9 | 70.2 | 0 | 0 | 0 | 0 | 112.8 | P27 Q31 | P27-T29 PolarHBondContact O-N 2.8Å; T29-Q31 PolarHBondContact O-N 3.23Å |
| 30 | I | 57.3 | Low | 56.8 | Low | 81 Ų | 81 | 110.1 Ų | 110.1 | 42% | 0.415 | 59% | 0.585 | S | S | . | * | | | trans | -68.1 | 82.9 | 164.2 | -55.7 | 166.8 | 0 | 0 | 0 | 107.7 | P27 N32 I36 | P27-I30 PolarHBondContact O-N 3.27Å; I30-N32 VanDerWaalsContact CG2-O 3.26Å; I30-N32 WeakPolarHBondContact CG2-O 3.47Å; I30-N32 PolarHBondContact O-N 2.92Å; I30-I36 HydrophobicContact CD1-CD1 4.47Å; I30-I36 HydrophobicContact CD1-CG1 4.17Å; I30-I36 HydrophobicContact CG2-CD1 3.82Å; I30-I36 HydrophobicContact CG2-CG1 4.13Å |
| 31 | Q | 59.1 | Low | 56.6 | Low | 191 Ų | 191 | 109.6 Ų | 109.6 | 89% | 0.893 | 59% | 0.585 | S | S | * | * | | | trans | -72.8 | -0.8 | 179.5 | -73.6 | -177.2 | -16.3 | 0 | 0 | 112.8 | T29 | T29-Q31 PolarHBondContact O-N 3.23Š|
| 32 | N | 56.9 | Low | 56.5 | Low | 95 Ų | 95 | 109.7 Ų | 109.7 | 51% | 0.508 | 58% | 0.581 | S | S | . | * | | | trans | -147 | 117.7 | -179 | -163.1 | -32.1 | 0 | 0 | 0 | 111.3 | I30 S34 | I30-N32 VanDerWaalsContact CG2-O 3.26Å; I30-N32 WeakPolarHBondContact CG2-O 3.47Å; I30-N32 PolarHBondContact O-N 2.92Å; N32-S34 PolarHBondContact O-N 2.95Å; N32-S34 VanDerWaalsContact O-N 3.11Å; N32-S34 VanDerWaalsContact OD1-CB 3.28Å; N32-S34 WeakPolarHBondContact OD1-CB 3.48Å; N32-S34 PolarHBondContact OD1-N 2.82Å; N32-S34 VanDerWaalsContact OD1-N 3.08Å; N32-S34 PolarHBondContact OD1-OG 3.27Å |
| 33 | Y | 49.8 | Very low | 56.4 | Low | 206 Ų | 206 | 110.1 Ų | 110.1 | 81% | 0.808 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -4.9 | -179.2 | -75.7 | -89.4 | 0 | 0 | 0 | 114.3 | I36 | Y33-I36 HydrophobicContact CD1-CD1 4.12Š|
| 34 | S | 58.7 | Low | 56.2 | Low | 82 Ų | 82 | 111 Ų | 111 | 57% | 0.573 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -26.8 | -178.3 | -45 | 0 | 0 | 0 | 0 | 113.8 | N32 | N32-S34 PolarHBondContact O-N 2.95Å; N32-S34 VanDerWaalsContact O-N 3.11Å; N32-S34 VanDerWaalsContact OD1-CB 3.28Å; N32-S34 WeakPolarHBondContact OD1-CB 3.48Å; N32-S34 PolarHBondContact OD1-N 2.82Å; N32-S34 VanDerWaalsContact OD1-N 3.08Å; N32-S34 PolarHBondContact OD1-OG 3.27Å |
| 35 | D | 58 | Low | 56.1 | Low | 98 Ų | 98 | 108.1 Ų | 108.1 | 52% | 0.524 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -80.2 | -26.7 | -170.6 | -135.2 | -9.4 | 0 | 0 | 0 | 113 | A37 E38 Q39 | D35-A37 PolarHBondContact O-N 2.81Å; D35-E38 PolarHBondContact O-N 3.39Å; D35-Q39 PolarHBondContact O-N 3.17Å; D35-Q39 VanDerWaalsContact O-N 3.08Å |
| 36 | I | 59.3 | Low | 56 | Low | 73 Ų | 73 | 110.8 Ų | 110.8 | 37% | 0.374 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.2 | -43.9 | -178.3 | -64.6 | 135.6 | 0 | 0 | 0 | 111.4 | I30 Y33 E38 Q39 E40 | I30-I36 HydrophobicContact CD1-CD1 4.47Å; I30-I36 HydrophobicContact CD1-CG1 4.17Å; I30-I36 HydrophobicContact CG2-CD1 3.82Å; I30-I36 HydrophobicContact CG2-CG1 4.13Å; Y33-I36 HydrophobicContact CD1-CD1 4.12Å; I36-E38 VanDerWaalsContact C-N 3.31Å; I36-E38 PolarHBondContact O-N 3.04Å; I36-Q39 PolarHBondContact O-N 2.96Å; I36-E40 PolarHBondContact O-N 2.95Å |
| 37 | A | 60.3 | Low | 55.7 | Low | 64 Ų | 64 | 114.3 Ų | 114.3 | 53% | 0.529 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.1 | -32.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D35 V41 | D35-A37 PolarHBondContact O-N 2.81Å; A37-V41 WeakPolarHBondContact O-CG2 3.49Å |
| 38 | E | 57.4 | Low | 55.1 | Low | 99 Ų | 99 | 117.6 Ų | 117.6 | 46% | 0.463 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -78.9 | -35.6 | 174.9 | -66.1 | -160.5 | -168.3 | 0 | 0 | 112.6 | D35 I36 R42 | D35-E38 PolarHBondContact O-N 3.39Å; I36-E38 VanDerWaalsContact C-N 3.31Å; I36-E38 PolarHBondContact O-N 3.04Å; E38-R42 WeakPolarHBondContact O-CG 3.49Å; E38-R42 PolarHBondContact O-N 3.42Å; E38-R42 VanDerWaalsContact O-N 3.14Å; E38-R42 IonicContact OE2-CZ 3.19Å; E38-R42 IonicContact OE2-NH1 2.74Å; E38-R42 PolarHBondContact OE2-NH1 2.98Å; E38-R42 IonicContact OE2-NH2 2.76Å; E38-R42 PolarHBondContact OE2-NH2 2.86Å |
| 39 | Q | 57.9 | Low | 54.6 | Low | 132 Ų | 132 | 113.1 Ų | 113.1 | 62% | 0.617 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -75.8 | -32.2 | -175.9 | -167 | 151 | 25.8 | 0 | 0 | 113 | D35 I36 R42 S43 | D35-Q39 PolarHBondContact O-N 3.17Å; D35-Q39 VanDerWaalsContact O-N 3.08Å; I36-Q39 PolarHBondContact O-N 2.96Å; Q39-R42 PolarHBondContact O-N 3.11Å; Q39-S43 WeakPolarHBondContact O-CB 3.36Å; Q39-S43 PolarHBondContact O-N 3.48Å; Q39-S43 PolarHBondContact O-OG 2.94Å |
| 40 | E | 58.7 | Low | 53.8 | Low | 125 Ų | 125 | 114.7 Ų | 114.7 | 58% | 0.584 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63 | -43.4 | 171.2 | -171.1 | 174 | -175.3 | 0 | 0 | 111.7 | I36 R42 S43 V44 | I36-E40 PolarHBondContact O-N 2.95Å; E40-R42 PolarHBondContact O-N 2.87Å; E40-S43 PolarHBondContact O-N 3.17Å; E40-S43 PolarHBondContact O-OG 3.27Å; E40-S43 VanDerWaalsContact O-OG 3.06Å; E40-V44 VanDerWaalsContact O-CG2 3.31Å; E40-V44 WeakPolarHBondContact O-CG2 3.45Å; E40-V44 PolarHBondContact O-N 2.81Å; E40-V44 VanDerWaalsContact O-N 3.11Å |
| 41 | V | 54.1 | Low | 53.2 | Low | 95 Ų | 95 | 115.9 Ų | 115.9 | 58% | 0.576 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.1 | -39.2 | 177.1 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | A37 T45 | A37-V41 WeakPolarHBondContact O-CG2 3.49Å; V41-T45 WeakPolarHBondContact O-CB 3.12Å; V41-T45 PolarHBondContact O-N 3.03Å; V41-T45 PolarHBondContact O-OG1 2.72Å |
| 42 | R | 54.3 | Low | 52.2 | Low | 156 Ų | 156 | 116.1 Ų | 116.1 | 59% | 0.589 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.6 | -35.2 | 178.3 | -72.1 | 179.5 | -177.6 | 115.4 | 10.5 | 113 | E38 Q39 E40 K46 | E38-R42 WeakPolarHBondContact O-CG 3.49Å; E38-R42 PolarHBondContact O-N 3.42Å; E38-R42 VanDerWaalsContact O-N 3.14Å; E38-R42 IonicContact OE2-CZ 3.19Å; E38-R42 IonicContact OE2-NH1 2.74Å; E38-R42 PolarHBondContact OE2-NH1 2.98Å; E38-R42 IonicContact OE2-NH2 2.76Å; E38-R42 PolarHBondContact OE2-NH2 2.86Å; Q39-R42 PolarHBondContact O-N 3.11Å; E40-R42 PolarHBondContact O-N 2.87Å; R42-K46 PolarHBondContact O-N 3.07Å |
| 43 | S | 56.9 | Low | 51.4 | Low | 67 Ų | 67 | 118.5 Ų | 118.5 | 47% | 0.469 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -74 | -43.1 | 179.8 | 65.6 | 0 | 0 | 0 | 0 | 112.2 | Q39 E40 T45 K46 Q47 | Q39-S43 WeakPolarHBondContact O-CB 3.36Å; Q39-S43 PolarHBondContact O-N 3.48Å; Q39-S43 PolarHBondContact O-OG 2.94Å; E40-S43 PolarHBondContact O-N 3.17Å; E40-S43 PolarHBondContact O-OG 3.27Å; E40-S43 VanDerWaalsContact O-OG 3.06Å; S43-T45 PolarHBondContact O-N 2.98Å; S43-K46 PolarHBondContact O-N 3.08Å; S43-Q47 PolarHBondContact O-N 3.28Å |
| 44 | V | 49.8 | Very low | 50.8 | Low | 89 Ų | 89 | 115.1 Ų | 115.1 | 54% | 0.539 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.2 | -43.2 | 176.4 | 173 | 0 | 0 | 0 | 0 | 111.4 | E40 K46 Q47 | E40-V44 VanDerWaalsContact O-CG2 3.31Å; E40-V44 WeakPolarHBondContact O-CG2 3.45Å; E40-V44 PolarHBondContact O-N 2.81Å; E40-V44 VanDerWaalsContact O-N 3.11Å; V44-K46 VanDerWaalsContact C-N 3.3Å; V44-K46 PolarHBondContact O-N 3.24Å; V44-Q47 PolarHBondContact O-N 3.03Å |
| 45 | T | 52.8 | Low | 49.5 | Very low | 84 Ų | 84 | 122 Ų | 122 | 52% | 0.515 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -62.2 | -36.6 | 178.3 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | V41 S43 L48 S49 | V41-T45 WeakPolarHBondContact O-CB 3.12Å; V41-T45 PolarHBondContact O-N 3.03Å; V41-T45 PolarHBondContact O-OG1 2.72Å; S43-T45 PolarHBondContact O-N 2.98Å; T45-L48 PolarHBondContact O-N 3.13Å; T45-S49 PolarHBondContact O-OG 3.11Å |
| 46 | K | 52.5 | Low | 48.3 | Very low | 149 Ų | 149 | 123 Ų | 123 | 65% | 0.648 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -72.4 | -34.2 | -175.7 | -156.1 | 172.2 | -174.1 | -179.6 | 0 | 112.8 | R42 S43 V44 L48 S49 | R42-K46 PolarHBondContact O-N 3.07Å; S43-K46 PolarHBondContact O-N 3.08Å; V44-K46 VanDerWaalsContact C-N 3.3Å; V44-K46 PolarHBondContact O-N 3.24Å; K46-L48 PolarHBondContact O-N 3.22Å; K46-S49 PolarHBondContact O-N 3.28Å; K46-S49 VanDerWaalsContact O-N 3.16Å |
| 47 | Q | 48.7 | Very low | 47.3 | Very low | 159 Ų | 159 | 124 Ų | 124 | 74% | 0.743 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -65.5 | -15.8 | 177 | -82.5 | -78.1 | -87.7 | 0 | 0 | 114.5 | S43 V44 | S43-Q47 PolarHBondContact O-N 3.28Å; V44-Q47 PolarHBondContact O-N 3.03Å |
| 48 | L | 42.3 | Very low | 46.6 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -4 | 176.4 | -62.5 | 177.7 | 0 | 0 | 0 | 113.7 | T45 K46 | T45-L48 PolarHBondContact O-N 3.13Å; K46-L48 PolarHBondContact O-N 3.22Å |
| 49 | S | 45.3 | Very low | 45.6 | Very low | 82 Ų | 82 | 128.5 Ų | 128.5 | 57% | 0.573 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -18.9 | -174 | -59 | 0 | 0 | 0 | 0 | 114.5 | T45 K46 S51 | T45-S49 PolarHBondContact O-OG 3.11Å; K46-S49 PolarHBondContact O-N 3.28Å; K46-S49 VanDerWaalsContact O-N 3.16Å; S49-S51 PolarHBondContact O-N 3.04Å |
| 50 | D | 40 | Very low | 44.9 | Very low | 138 Ų | 138 | 128 Ų | 128 | 74% | 0.738 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -94.6 | 15.2 | -170 | -66 | -29.9 | 0 | 0 | 0 | 114.3 | | |
| 51 | S | 45.3 | Very low | 44.1 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -112.5 | -0.5 | -170.9 | -166.2 | 0 | 0 | 0 | 0 | 116.8 | S49 | S49-S51 PolarHBondContact O-N 3.04Š|
| 52 | E | 36.9 | Very low | 43.4 | Very low | 196 Ų | 196 | 134.4 Ų | 134.4 | 92% | 0.916 | 71% | 0.714 | S | S | * | * | | | trans | -123.5 | 107.4 | 177.8 | -68.7 | -164.3 | 123.5 | 0 | 0 | 112 | | |
| 53 | N | 41.2 | Very low | 42.4 | Very low | 145 Ų | 145 | 138.2 Ų | 138.2 | 78% | 0.775 | 73% | 0.728 | S | S | * | * | | | trans | -119.4 | 127 | -171.6 | -143.3 | -18.4 | 0 | 0 | 0 | 109.1 | | |
| 54 | N | 35.8 | Very low | 41.1 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | | | trans | 65.9 | 109.6 | 170.5 | -52.3 | -74.7 | 0 | 0 | 0 | 118.6 | | |
| 55 | Y | 31.1 | Very low | 40.6 | Very low | 228 Ų | 228 | 140.3 Ų | 140.3 | 89% | 0.894 | 76% | 0.758 | S | S | * | * | | | | -159 | 119.6 | 122.6 | -108.7 | -73.6 | 0 | 0 | 0 | 111.6 | | |
| 56 | T | 34.1 | Very low | 41 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | | | trans | 39.6 | 112.4 | 151.9 | -52.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 57 | A | 38.7 | Very low | 40.2 | Very low | 94 Ų | 94 | 142.9 Ų | 142.9 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | | | trans | -73.9 | 148.3 | 153.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 58 | P | 44.1 | Very low | 39.8 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | | -141.2 | 156.1 | 101.1 | 37 | -23.9 | 0 | 0 | 0 | 115 | | |
| 59 | E | 36.3 | Very low | 40.4 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 64% | 0.64 | 78% | 0.776 | S | S | * | * | | | trans | -87.6 | 150.5 | 172 | -160.1 | -112.2 | -162.4 | 0 | 0 | 111 | R61 | E59-R61 VanDerWaalsContact CD-N 3.3Å; E59-R61 WeakPolarHBondContact OE1-CG 3.35Å; E59-R61 PolarHBondContact OE1-N 3.28Å; E59-R61 WeakPolarHBondContact OE2-CG 3.28Å; E59-R61 PolarHBondContact OE2-N 2.92Å |
| 60 | P | 44.2 | Very low | 40.2 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | | -142.1 | 130.9 | 129.8 | 33.2 | -17.3 | 0 | 0 | 0 | 116.1 | | |
| 61 | R | 42.6 | Very low | 40.5 | Very low | 213 Ų | 213 | 141.1 Ų | 141.1 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -46.6 | 143.5 | 173.7 | -44.5 | 176.8 | 179.6 | 135.1 | -0.2 | 118.3 | E59 | E59-R61 VanDerWaalsContact CD-N 3.3Å; E59-R61 WeakPolarHBondContact OE1-CG 3.35Å; E59-R61 PolarHBondContact OE1-N 3.28Å; E59-R61 WeakPolarHBondContact OE2-CG 3.28Å; E59-R61 PolarHBondContact OE2-N 2.92Å |
| 62 | V | 37.7 | Very low | 40.2 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | | | trans | -147.1 | 100.2 | 148.5 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 63 | R | 34.6 | Very low | 40.7 | Very low | 236 Ų | 236 | 136 Ų | 136 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | | | | 80.9 | 101.7 | 75.4 | -174.9 | 180 | -78.8 | -94.2 | 2.4 | 116.4 | | |
| 64 | G | 29.8 | Very low | 41 | Very low | 75 Ų | 75 | 141 Ų | 141 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | 82.1 | 150.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 65 | S | 39.2 | Very low | 41.4 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | | | cis | -160.8 | 172.8 | -7.7 | -128.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 66 | P | 60.7 | Low | 42.5 | Very low | 101 Ų | 101 | 133 Ų | 133 | 66% | 0.656 | 79% | 0.789 | S | S | * | * | | | trans | -105.9 | -174.5 | -159.1 | 42 | -38.8 | 0 | 0 | 0 | 117.4 | | |
| 67 | H | 35.9 | Very low | 43.3 | Very low | 186 Ų | 186 | 132.7 Ų | 132.7 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | | | trans | 103.9 | 144 | 175.2 | -62.9 | -60.1 | 0 | 0 | 0 | 114.9 | | |
| 68 | A | 40.4 | Very low | 43.9 | Very low | 83 Ų | 83 | 139.3 Ų | 139.3 | 69% | 0.686 | 80% | 0.797 | S | S | * | * | | | cis | -164.7 | 166.5 | -15.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 69 | P | 54.3 | Low | 44 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | | | trans | -82.6 | 155.2 | -172 | 34.1 | -35.3 | 0 | 0 | 0 | 113.6 | | |
| 70 | A | 40.8 | Very low | 44.7 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | | | trans | -139.4 | 112.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 71 | D | 45.9 | Very low | 45.4 | Very low | 174 Ų | 174 | 148.5 Ų | 148.5 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | | | trans | -64.5 | 144.2 | 172.6 | -74.5 | -62.3 | 0 | 0 | 0 | 111.8 | | |
| 72 | G | 40.3 | Very low | 45.9 | Very low | 55 Ų | 55 | 146.1 Ų | 146.1 | 57% | 0.567 | 81% | 0.813 | S | S | * | * | | | trans | -158.1 | 117.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R74 | G72-R74 PolarHBondContact O-N 3.43Š|
| 73 | P | 47.8 | Very low | 46.9 | Very low | 139 Ų | 139 | 146 Ų | 146 | 90% | 0.903 | 82% | 0.815 | S | S | * | * | | | trans | -73.2 | 102.5 | -176.7 | 29 | -33.6 | 0 | 0 | 0 | 110.6 | G75 | P73-G75 PolarHBondContact O-N 2.92Š|
| 74 | R | 47.3 | Very low | 48 | Very low | 252 Ų | 252 | 139.1 Ų | 139.1 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | | | trans | -73.4 | 91.9 | 172.2 | -69.8 | -171.7 | -179 | -167.7 | 1.6 | 110.5 | G72 | G72-R74 PolarHBondContact O-N 3.43Š|
| 75 | G | 44.6 | Very low | 49.2 | Very low | 53 Ų | 53 | 145 Ų | 145 | 55% | 0.546 | 80% | 0.804 | S | S | . | * | | | trans | -61.5 | 147.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P73 S77 | P73-G75 PolarHBondContact O-N 2.92Å; G75-S77 PolarHBondContact O-N 3.12Å |
| 76 | P | 53.3 | Low | 50.3 | Low | 139 Ų | 139 | 147 Ų | 147 | 90% | 0.903 | 80% | 0.797 | S | S | * | * | | | trans | -76.3 | 83.5 | -176.3 | 30.8 | -35 | 0 | 0 | 0 | 111.5 | R78 | P76-R78 PolarHBondContact O-N 2.88Š|
| 77 | S | 51.1 | Low | 50 | Low | 113 Ų | 113 | 146.7 Ų | 146.7 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | trans | -77.2 | 88.5 | 177.9 | 51.1 | 0 | 0 | 0 | 0 | 112.4 | G75 | G75-S77 PolarHBondContact O-N 3.12Š|
| 78 | R | 51.5 | Low | 51.2 | Low | 233 Ų | 233 | 148.3 Ų | 148.3 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | trans | 59.3 | 113.1 | 154.7 | -58.5 | -175.9 | -178.9 | -139.5 | -2.6 | 116.7 | P76 R80 | P76-R78 PolarHBondContact O-N 2.88Å; R78-R80 PolarHBondContact O-N 2.83Å |
| 79 | A | 45.9 | Very low | 52.6 | Low | 97 Ų | 97 | 151.8 Ų | 151.8 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | trans | -44.4 | 124.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R81 | A79-R81 PolarHBondContact O-N 3.02Š|
| 80 | R | 51.1 | Low | 53.4 | Low | 244 Ų | 244 | 151.9 Ų | 151.9 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | | | trans | -61.2 | 92.7 | 173.8 | 179.2 | -174.6 | -116.4 | -117.6 | 0.9 | 108.8 | R78 E82 | R78-R80 PolarHBondContact O-N 2.83Å; R80-E82 PolarHBondContact O-N 3.35Å; R80-E82 VanDerWaalsContact O-N 3.16Å |
| 81 | R | 59.5 | Low | 54.7 | Low | 232 Ų | 232 | 155.7 Ų | 155.7 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | | | trans | -64.3 | 114.3 | 167.1 | -79.5 | -164.9 | 179.3 | -127.2 | 4 | 107.9 | A79 P83 | A79-R81 PolarHBondContact O-N 3.02Å; R81-P83 VanDerWaalsContact O-CD 3.24Å; R81-P83 WeakPolarHBondContact O-CD 3.34Å |
| 82 | E | 52.1 | Low | 56 | Low | 163 Ų | 163 | 155.2 Ų | 155.2 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | -69.9 | 115.7 | 177.5 | -171.8 | 161.4 | -170.6 | 0 | 0 | 110 | R80 S84 | R80-E82 PolarHBondContact O-N 3.35Å; R80-E82 VanDerWaalsContact O-N 3.16Å; E82-S84 PolarHBondContact O-N 3.22Å |
| 83 | P | 58.8 | Low | 57.4 | Low | 137 Ų | 137 | 157.1 Ų | 157.1 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 12.9 | -168.4 | -21.4 | 35.7 | 0 | 0 | 0 | 116.6 | R81 | R81-P83 VanDerWaalsContact O-CD 3.24Å; R81-P83 WeakPolarHBondContact O-CD 3.34Å |
| 84 | S | 58.5 | Low | 58.7 | Low | 93 Ų | 93 | 153.3 Ų | 153.3 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146 | 44.2 | -174.3 | -173.1 | 0 | 0 | 0 | 0 | 114.1 | E82 K86 | E82-S84 PolarHBondContact O-N 3.22Å; S84-K86 VanDerWaalsContact C-N 3.28Å; S84-K86 PolarHBondContact O-N 3.39Å |
| 85 | Y | 53.4 | Low | 60.1 | Low | 198 Ų | 198 | 145.5 Ų | 145.5 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | trans | -75.2 | 87.4 | 156.9 | -155.8 | -90.3 | 0 | 0 | 0 | 108.6 | P87 | Y85-P87 WeakPolarHBondContact O-CD 3.47Š|
| 86 | K | 63 | Low | 61.8 | Low | 166 Ų | 166 | 148.1 Ų | 148.1 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | | | trans | -61.3 | 125.7 | 160 | -73.5 | -162.4 | 175.5 | -168.9 | 0 | 106.6 | S84 R88 | S84-K86 VanDerWaalsContact C-N 3.28Å; S84-K86 PolarHBondContact O-N 3.39Å; K86-R88 PolarHBondContact O-N 2.91Å |
| 87 | P | 54.9 | Low | 63.1 | Low | 94 Ų | 94 | 147.3 Ų | 147.3 | 61% | 0.61 | 75% | 0.75 | S | S | * | * | | | trans | -55.7 | 114.6 | 167.1 | -19.1 | 31.8 | 0 | 0 | 0 | 106.6 | Y85 E89 | Y85-P87 WeakPolarHBondContact O-CD 3.47Å; P87-E89 PolarHBondContact O-N 2.79Å; P87-E89 VanDerWaalsContact O-N 3.09Å |
| 88 | R | 60.8 | Low | 64.1 | Low | 220 Ų | 220 | 148.5 Ų | 148.5 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | | | trans | -59.6 | 115.8 | 177.3 | -177.2 | -173.1 | -166.7 | -161.6 | 5 | 106.2 | K86 D90 | K86-R88 PolarHBondContact O-N 2.91Å; R88-D90 PolarHBondContact O-N 2.75Å; R88-D90 VanDerWaalsContact O-N 3.1Å |
| 89 | E | 69.5 | Low | 65.4 | Low | 157 Ų | 157 | 142.5 Ų | 142.5 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | | | trans | -34.5 | 115 | -169.7 | -85.8 | 68.5 | -169.4 | 0 | 0 | 111.1 | P87 Y91 | P87-E89 PolarHBondContact O-N 2.79Å; P87-E89 VanDerWaalsContact O-N 3.09Å; E89-Y91 PolarHBondContact O-N 2.91Å |
| 90 | D | 71.4 | Confident | 67 | Low | 130 Ų | 130 | 142.9 Ų | 142.9 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | | | trans | -50.9 | 127.7 | -169.6 | -71.1 | -58.3 | 0 | 0 | 0 | 109.4 | R88 H92 | R88-D90 PolarHBondContact O-N 2.75Å; R88-D90 VanDerWaalsContact O-N 3.1Å; D90-H92 PolarHBondContact O-CD2 3.01Å; D90-H92 PolarHBondContact O-N 3.32Å |
| 91 | Y | 67.8 | Low | 68.7 | Low | 180 Ų | 180 | 134.3 Ų | 134.3 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | | | trans | -56.2 | 102.1 | -169.9 | 175.9 | -95.2 | 0 | 0 | 0 | 110.2 | E89 P93 | E89-Y91 PolarHBondContact O-N 2.91Å; Y91-P93 HydrophobicContact CE1-CB 4.35Å; Y91-P93 WeakPolarHBondContact O-CD 3.48Å |
| 92 | H | 72.7 | Confident | 70 | Confident | 165 Ų | 165 | 127 Ų | 127 | 76% | 0.764 | 69% | 0.686 | S | S | * | * | | | trans | -73.9 | 109.5 | 174.6 | -77.2 | -70.1 | 0 | 0 | 0 | 108.3 | D90 | D90-H92 PolarHBondContact O-CD2 3.01Å; D90-H92 PolarHBondContact O-N 3.32Å |
| 93 | P | 70.5 | Confident | 71.8 | Confident | 94 Ų | 94 | 124.7 Ų | 124.7 | 61% | 0.61 | 68% | 0.675 | S | S | * | * | | | trans | -63.8 | 136.4 | 173.4 | 28.8 | -34.1 | 0 | 0 | 0 | 108.4 | Y91 G95 | Y91-P93 HydrophobicContact CE1-CB 4.35Å; Y91-P93 WeakPolarHBondContact O-CD 3.48Å; P93-G95 PolarHBondContact O-N 3.49Å |
| 94 | P | 74.3 | Confident | 73 | Confident | 59 Ų | 59 | 126 Ų | 126 | 38% | 0.383 | 66% | 0.663 | S | S | . | * | | | trans | -60.9 | 133.2 | 177.5 | 25 | -32.9 | 0 | 0 | 0 | 109.9 | V96 F98 | P94-V96 HydrophobicContact CB-CG2 4.18Å; P94-V96 PolarHBondContact O-N 3.26Å; P94-F98 HydrophobicContact CG-CE1 3.81Å; P94-F98 HydrophobicContact CG-CE2 3.85Å; P94-F98 HydrophobicContact CG-CZ 3.39Å |
| 95 | G | 76.4 | Confident | 74.3 | Confident | 89 Ų | 89 | 127.9 Ų | 127.9 | 92% | 0.918 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -68.3 | -1.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | P93 | P93-G95 PolarHBondContact O-N 3.49Š|
| 96 | V | 80.8 | Confident | 75.9 | Confident | 107 Ų | 107 | 124.3 Ų | 124.3 | 65% | 0.648 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -97.7 | 130.8 | 169.2 | -77.4 | 0 | 0 | 0 | 0 | 109.4 | P94 F98 | P94-V96 HydrophobicContact CB-CG2 4.18Å; P94-V96 PolarHBondContact O-N 3.26Å; V96-F98 PolarHBondContact O-N 3.01Å |
| 97 | P | 81.2 | Confident | 77.1 | Confident | 122 Ų | 122 | 121.1 Ų | 121.1 | 79% | 0.792 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 130.3 | 172.7 | -24 | 33.4 | 0 | 0 | 0 | 110.4 | | |
| 98 | F | 71.9 | Confident | 78.5 | Confident | 139 Ų | 139 | 121.9 Ų | 121.9 | 61% | 0.61 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 136.9 | 173.1 | -70.7 | -80.8 | 0 | 0 | 0 | 109.7 | P94 V96 S100 | P94-F98 HydrophobicContact CG-CE1 3.81Å; P94-F98 HydrophobicContact CG-CE2 3.85Å; P94-F98 HydrophobicContact CG-CZ 3.39Å; V96-F98 PolarHBondContact O-N 3.01Å; F98-S100 PolarHBondContact O-N 3.26Å |
| 99 | P | 78.5 | Confident | 79.7 | Confident | 106 Ų | 106 | 120 Ų | 120 | 69% | 0.688 | 63% | 0.633 | S | S | * | * | | | trans | -60.2 | 110.2 | 177 | 23.6 | -32.5 | 0 | 0 | 0 | 109.6 | V101 | P99-V101 PolarHBondContact O-N 3.15Å; P99-V101 VanDerWaalsContact O-N 3.11Å |
| 100 | S | 80.6 | Confident | 80.3 | Confident | 106 Ų | 106 | 116.8 Ų | 116.8 | 74% | 0.741 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -65.8 | -13.2 | -176.4 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | F98 | F98-S100 PolarHBondContact O-N 3.26Š|
| 101 | V | 85.3 | Confident | 80.6 | Confident | 64 Ų | 64 | 121.1 Ų | 121.1 | 39% | 0.388 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -117.3 | 106.5 | 175.5 | -171.5 | 0 | 0 | 0 | 0 | 107.9 | P99 K105 Q106 | P99-V101 PolarHBondContact O-N 3.15Å; P99-V101 VanDerWaalsContact O-N 3.11Å; V101-K105 HydrophobicContact CG1-CB 3.58Å; V101-K105 HydrophobicContact CG1-CD 4.26Å; V101-Q106 HydrophobicContact CG1-CG 3.66Å |
| 102 | T | 88.5 | Confident | 81.3 | Confident | 79 Ų | 79 | 118 Ų | 118 | 49% | 0.485 | 63% | 0.634 | S | S | . | * | | | trans | -64.8 | 154.8 | 172.3 | 56.5 | 0 | 0 | 0 | 0 | 110.6 | Y104 K105 Q106 | T102-Y104 PolarHBondContact O-N 3.36Å; T102-K105 WeakPolarHBondContact O-CA 3.06Å; T102-K105 WeakPolarHBondContact O-CB 3.27Å; T102-K105 PolarHBondContact O-N 2.78Å; T102-K105 PolarHBondContact OG1-N 2.74Å; T102-Q106 PolarHBondContact O-N 3.2Å |
| 103 | Q | 88.3 | Confident | 81.5 | Confident | 113 Ų | 113 | 117.2 Ų | 117.2 | 53% | 0.528 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -49.8 | -42.6 | 173.6 | -173.3 | 59.7 | 41.7 | 0 | 0 | 111.7 | K105 Q106 D107 | Q103-K105 VanDerWaalsContact C-N 3.29Å; Q103-K105 PolarHBondContact O-N 3.48Å; Q103-Q106 WeakPolarHBondContact O-CA 3.34Å; Q103-Q106 WeakPolarHBondContact O-CB 3.36Å; Q103-Q106 PolarHBondContact O-N 2.99Å; Q103-D107 WeakPolarHBondContact CG-OD2 3.44Å; Q103-D107 VanDerWaalsContact NE2-CG 3.31Å; Q103-D107 PolarHBondContact NE2-OD1 3.18Å; Q103-D107 PolarHBondContact NE2-OD2 3.45Å; Q103-D107 PolarHBondContact O-N 3.34Å |
| 104 | Y | 84.9 | Confident | 81.7 | Confident | 165 Ų | 165 | 116.1 Ų | 116.1 | 65% | 0.647 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -53 | -39.5 | 173.7 | 176.9 | -97.1 | 0 | 0 | 0 | 114.1 | T102 F108 | T102-Y104 PolarHBondContact O-N 3.36Å; Y104-F108 HydrophobicContact CE1-CD2 4.31Å; Y104-F108 WeakPolarHBondContact O-CB 3.22Å; Y104-F108 PolarHBondContact O-N 3.49Å |
| 105 | K | 84.9 | Confident | 81.7 | Confident | 132 Ų | 132 | 121.4 Ų | 121.4 | 57% | 0.574 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.6 | -30.3 | 175.7 | -80.8 | -177.6 | 171.1 | -178.7 | 0 | 112.7 | V101 T102 Q103 | V101-K105 HydrophobicContact CG1-CB 3.58Å; V101-K105 HydrophobicContact CG1-CD 4.26Å; T102-K105 WeakPolarHBondContact O-CA 3.06Å; T102-K105 WeakPolarHBondContact O-CB 3.27Å; T102-K105 PolarHBondContact O-N 2.78Å; T102-K105 PolarHBondContact OG1-N 2.74Å; Q103-K105 VanDerWaalsContact C-N 3.29Å; Q103-K105 PolarHBondContact O-N 3.48Å |
| 106 | Q | 87.9 | Confident | 81.3 | Confident | 124 Ų | 124 | 121.4 Ų | 121.4 | 58% | 0.579 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.3 | -39.5 | 176.6 | -55.4 | -175 | 16.8 | 0 | 0 | 110.9 | V101 T102 Q103 F108 | V101-Q106 HydrophobicContact CG1-CG 3.66Å; T102-Q106 PolarHBondContact O-N 3.2Å; Q103-Q106 WeakPolarHBondContact O-CA 3.34Å; Q103-Q106 WeakPolarHBondContact O-CB 3.36Å; Q103-Q106 PolarHBondContact O-N 2.99Å; Q106-F108 VanDerWaalsContact C-N 3.33Å |
| 107 | D | 88.4 | Confident | 80.5 | Confident | 99 Ų | 99 | 122.2 Ų | 122.2 | 53% | 0.529 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -85.3 | -2.8 | 179.3 | -62.9 | -34.8 | 0 | 0 | 0 | 113.6 | Q103 K109 | Q103-D107 WeakPolarHBondContact CG-OD2 3.44Å; Q103-D107 VanDerWaalsContact NE2-CG 3.31Å; Q103-D107 PolarHBondContact NE2-OD1 3.18Å; Q103-D107 PolarHBondContact NE2-OD2 3.45Å; Q103-D107 PolarHBondContact O-N 3.34Å; D107-K109 VanDerWaalsContact C-N 3.33Å; D107-K109 PolarHBondContact O-N 3.3Å |
| 108 | F | 84.8 | Confident | 79.8 | Confident | 109 Ų | 109 | 121.7 Ų | 121.7 | 48% | 0.478 | 60% | 0.601 | S | S | . | * | | | trans | -69.1 | 89.3 | 179.4 | -171.1 | -95.6 | 0 | 0 | 0 | 111 | Y104 Q106 P110 | Y104-F108 HydrophobicContact CE1-CD2 4.31Å; Y104-F108 WeakPolarHBondContact O-CB 3.22Å; Y104-F108 PolarHBondContact O-N 3.49Å; Q106-F108 VanDerWaalsContact C-N 3.33Å; F108-P110 HydrophobicContact CE1-CB 3.98Å; F108-P110 WeakPolarHBondContact O-CD 3.48Å |
| 109 | K | 85.5 | Confident | 79.8 | Confident | 181 Ų | 181 | 118.5 Ų | 118.5 | 79% | 0.787 | 59% | 0.587 | S | S | * | * | | | trans | -80.7 | 112.3 | 163.7 | -65.8 | 175.9 | -175 | 174.4 | 0 | 106.9 | D107 W111 | D107-K109 VanDerWaalsContact C-N 3.33Å; D107-K109 PolarHBondContact O-N 3.3Å; K109-W111 PolarHBondContact O-N 2.82Å |
| 110 | P | 81.9 | Confident | 79.4 | Confident | 90 Ų | 90 | 119.6 Ų | 119.6 | 58% | 0.584 | 59% | 0.594 | S | S | * | * | | | trans | -57.7 | 131.3 | 174.6 | 24.5 | -32.8 | 0 | 0 | 0 | 108.3 | F108 | F108-P110 HydrophobicContact CE1-CB 3.98Å; F108-P110 WeakPolarHBondContact O-CD 3.48Å |
| 111 | W | 78.1 | Confident | 78.8 | Confident | 221 Ų | 221 | 124.6 Ų | 124.6 | 84% | 0.837 | 60% | 0.597 | S | S | * | * | | | trans | -51 | 135.7 | 174.6 | -69.5 | 97 | 0 | 0 | 0 | 109.2 | K109 I113 | K109-W111 PolarHBondContact O-N 2.82Å; W111-I113 PolarHBondContact O-N 3.06Å |
| 112 | P | 80.7 | Confident | 77.7 | Confident | 114 Ų | 114 | 124.8 Ų | 124.8 | 74% | 0.74 | 60% | 0.595 | S | S | * | * | | | trans | -63.6 | 98.6 | -177.2 | 25.5 | -33.7 | 0 | 0 | 0 | 109.2 | P114 | P112-P114 VanDerWaalsContact O-CD 3.23Å; P112-P114 WeakPolarHBondContact O-CD 3.37Å; P112-P114 VanDerWaalsContact O-N 3.16Å |
| 113 | I | 77.4 | Confident | 76.1 | Confident | 148 Ų | 148 | 125.6 Ų | 125.6 | 76% | 0.759 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 116.3 | 177.1 | -58.3 | 177.8 | 0 | 0 | 0 | 106.2 | W111 R115 | W111-I113 PolarHBondContact O-N 3.06Å; I113-R115 PolarHBondContact O-N 3.26Å; I113-R115 VanDerWaalsContact O-N 3.15Å |
| 114 | P | 75.4 | Confident | 74.7 | Confident | 71 Ų | 71 | 126.7 Ų | 126.7 | 46% | 0.461 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 124.8 | 179.3 | -18.2 | 30.9 | 0 | 0 | 0 | 108.1 | P112 F119 | P112-P114 VanDerWaalsContact O-CD 3.23Å; P112-P114 WeakPolarHBondContact O-CD 3.37Å; P112-P114 VanDerWaalsContact O-N 3.16Å; P114-F119 HydrophobicContact CB-CE2 3.76Å; P114-F119 HydrophobicContact CB-CZ 3.89Å; P114-F119 HydrophobicContact CG-CE2 4.4Å; P114-F119 HydrophobicContact CG-CZ 4.16Å |
| 115 | R | 73.4 | Confident | 73.3 | Confident | 170 Ų | 170 | 122.8 Ų | 122.8 | 64% | 0.642 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 149.7 | -175.8 | -65.4 | 178.8 | 52.8 | 116 | 1.2 | 110 | I113 E117 N118 | I113-R115 PolarHBondContact O-N 3.26Å; I113-R115 VanDerWaalsContact O-N 3.15Å; R115-E117 VanDerWaalsContact CB-CD 3.49Å; R115-E117 HydrophobicContact CB-CG 4.03Å; R115-E117 WeakPolarHBondContact CB-OE2 3.5Å; R115-E117 IonicContact CZ-OE1 3.21Å; R115-E117 IonicContact NE-OE1 2.71Å; R115-E117 PolarHBondContact NE-OE1 2.88Å; R115-E117 IonicContact NE-OE2 3.8Å; R115-E117 IonicContact NH2-OE1 2.83Å; R115-E117 PolarHBondContact NH2-OE1 2.98Å; R115-E117 IonicContact NH2-OE2 3.97Å; R115-E117 PolarHBondContact O-N 3.39Å; R115-E117 VanDerWaalsContact O-N 3.08Å; R115-N118 WeakPolarHBondContact O-CB 3.36Å; R115-N118 PolarHBondContact O-N 3.42Å |
| 116 | K | 67.7 | Low | 71.6 | Confident | 90 Ų | 90 | 119.3 Ų | 119.3 | 39% | 0.391 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -57.6 | -30.4 | -170.6 | -163.9 | 178.6 | 109.5 | -177.5 | 0 | 112.4 | N118 F119 I122 | K116-N118 PolarHBondContact O-N 3.25Å; K116-F119 PolarHBondContact O-N 3.15Å; K116-I122 HydrophobicContact CD-CG2 3.76Å; K116-I122 HydrophobicContact CG-CB 3.94Å; K116-I122 HydrophobicContact CG-CD1 3.84Å; K116-I122 HydrophobicContact CG-CG1 4.48Å; K116-I122 HydrophobicContact CG-CG2 3.69Å |
| 117 | E | 64.5 | Low | 69.7 | Low | 123 Ų | 123 | 119 Ų | 119 | 58% | 0.575 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -61.3 | -18.7 | 172.7 | 54 | -98.8 | -134.2 | 0 | 0 | 115.6 | R115 F119 | R115-E117 VanDerWaalsContact CB-CD 3.49Å; R115-E117 HydrophobicContact CB-CG 4.03Å; R115-E117 WeakPolarHBondContact CB-OE2 3.5Å; R115-E117 IonicContact CZ-OE1 3.21Å; R115-E117 IonicContact NE-OE1 2.71Å; R115-E117 PolarHBondContact NE-OE1 2.88Å; R115-E117 IonicContact NE-OE2 3.8Å; R115-E117 IonicContact NH2-OE1 2.83Å; R115-E117 PolarHBondContact NH2-OE1 2.98Å; R115-E117 IonicContact NH2-OE2 3.97Å; R115-E117 PolarHBondContact O-N 3.39Å; R115-E117 VanDerWaalsContact O-N 3.08Å; E117-F119 VanDerWaalsContact C-N 3.25Å; E117-F119 PolarHBondContact O-N 3.48Å |
| 118 | N | 66.6 | Low | 67.8 | Low | 111 Ų | 111 | 125.8 Ų | 125.8 | 59% | 0.594 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -79.4 | -3.6 | 178 | -68.4 | -17.4 | 0 | 0 | 0 | 113.8 | R115 K116 | R115-N118 WeakPolarHBondContact O-CB 3.36Å; R115-N118 PolarHBondContact O-N 3.42Å; K116-N118 PolarHBondContact O-N 3.25Å |
| 119 | F | 71.9 | Confident | 66.1 | Low | 72 Ų | 72 | 123.9 Ų | 123.9 | 32% | 0.316 | 67% | 0.666 | S | S | . | * | | | trans | -120.3 | 102.8 | -174.7 | -65.9 | -73.8 | 0 | 0 | 0 | 111.2 | P114 K116 E117 W121 I122 | P114-F119 HydrophobicContact CB-CE2 3.76Å; P114-F119 HydrophobicContact CB-CZ 3.89Å; P114-F119 HydrophobicContact CG-CE2 4.4Å; P114-F119 HydrophobicContact CG-CZ 4.16Å; K116-F119 PolarHBondContact O-N 3.15Å; E117-F119 VanDerWaalsContact C-N 3.25Å; E117-F119 PolarHBondContact O-N 3.48Å; F119-W121 HydrophobicContact CD1-CZ2 4.41Å; F119-W121 AromaticContact CD1-NE1 3.88Å; F119-W121 PolarHBondContact O-N 2.92Å; F119-I122 HydrophobicContact CB-CB 4.46Å; F119-I122 HydrophobicContact CB-CD1 3.62Å; F119-I122 HydrophobicContact CB-CG1 3.59Å; F119-I122 HydrophobicContact CD2-CD1 3.7Å; F119-I122 HydrophobicContact CG-CD1 3.91Å; F119-I122 HydrophobicContact CG-CG1 4.36Å; F119-I122 PolarHBondContact O-N 3.4Å |
| 120 | P | 70.6 | Confident | 64.2 | Low | 130 Ų | 130 | 123.5 Ų | 123.5 | 84% | 0.844 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -13.5 | -176.4 | 25.9 | -34.5 | 0 | 0 | 0 | 114.1 | | |
| 121 | W | 67.1 | Low | 62.2 | Low | 210 Ų | 210 | 123 Ų | 123 | 80% | 0.795 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -13.7 | 172.7 | 60.2 | 36.6 | 0 | 0 | 0 | 114.2 | F119 S123 | F119-W121 HydrophobicContact CD1-CZ2 4.41Å; F119-W121 AromaticContact CD1-NE1 3.88Å; F119-W121 PolarHBondContact O-N 2.92Å; W121-S123 PolarHBondContact O-N 3.1Å |
| 122 | I | 62.2 | Low | 60.1 | Low | 68 Ų | 68 | 116.9 Ų | 116.9 | 35% | 0.349 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -93.2 | 60.7 | 178.1 | -37.9 | 175.6 | 0 | 0 | 0 | 108.9 | K116 F119 N124 | K116-I122 HydrophobicContact CD-CG2 3.76Å; K116-I122 HydrophobicContact CG-CB 3.94Å; K116-I122 HydrophobicContact CG-CD1 3.84Å; K116-I122 HydrophobicContact CG-CG1 4.48Å; K116-I122 HydrophobicContact CG-CG2 3.69Å; F119-I122 HydrophobicContact CB-CB 4.46Å; F119-I122 HydrophobicContact CB-CD1 3.62Å; F119-I122 HydrophobicContact CB-CG1 3.59Å; F119-I122 HydrophobicContact CD2-CD1 3.7Å; F119-I122 HydrophobicContact CG-CD1 3.91Å; F119-I122 HydrophobicContact CG-CG1 4.36Å; F119-I122 PolarHBondContact O-N 3.4Å; I122-N124 PolarHBondContact O-N 2.82Å |
| 123 | S | 55.8 | Low | 58.2 | Low | 97 Ų | 97 | 117.1 Ų | 117.1 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | | | trans | -45.7 | 140.6 | 173.1 | -57.9 | 0 | 0 | 0 | 0 | 110.7 | W121 G125 | W121-S123 PolarHBondContact O-N 3.1Å; S123-G125 PolarHBondContact O-N 3.22Å |
| 124 | N | 58.3 | Low | 56.2 | Low | 136 Ų | 136 | 117.5 Ų | 117.5 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -71.4 | 33.2 | -172 | -71.9 | -33.6 | 0 | 0 | 0 | 115.1 | I122 G126 | I122-N124 PolarHBondContact O-N 2.82Å; N124-G126 PolarHBondContact O-N 3.46Å |
| 125 | G | 57.1 | Low | 54.3 | Low | 83 Ų | 83 | 119.9 Ų | 119.9 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 46.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S123 | S123-G125 PolarHBondContact O-N 3.22Š|
| 126 | G | 49.2 | Very low | 52.3 | Low | 59 Ų | 59 | 117 Ų | 117 | 61% | 0.608 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.7 | 28.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | N124 R128 | N124-G126 PolarHBondContact O-N 3.46Å; G126-R128 PolarHBondContact O-N 2.82Å |
| 127 | S | 46.2 | Very low | 51.4 | Low | 118 Ų | 118 | 118 Ų | 118 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | | | trans | -82.2 | 90.1 | 164 | -157.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 128 | R | 49.3 | Very low | 49.9 | Very low | 241 Ų | 241 | 119.1 Ų | 119.1 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | | | trans | -126.6 | 110 | 169.6 | -92.8 | -169.7 | 163.9 | -159 | -5.1 | 108.5 | G126 | G126-R128 PolarHBondContact O-N 2.82Š|
| 129 | G | 49.6 | Very low | 48.3 | Very low | 68 Ų | 68 | 119.6 Ų | 119.6 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 75.3 | 88.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 130 | D | 45.5 | Very low | 46.5 | Very low | 174 Ų | 174 | 121.9 Ų | 121.9 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | | | | -177.1 | 122.7 | 95.4 | -93.2 | -24.3 | 0 | 0 | 0 | 109.6 | | |
| 131 | G | 38.9 | Very low | 44.7 | Very low | 80 Ų | 80 | 124.4 Ų | 124.4 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | | | trans | 166.7 | 41.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 132 | A | 35.3 | Very low | 43.3 | Very low | 91 Ų | 91 | 122.6 Ų | 122.6 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | -150 | 92.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 133 | S | 39.5 | Very low | 42 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | | 79.4 | 124.4 | 85.5 | -68.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 134 | D | 36.9 | Very low | 41 | Very low | 155 Ų | 155 | 128.3 Ų | 128.3 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -53.4 | 165.9 | 170.3 | -70.3 | -69.8 | 0 | 0 | 0 | 113.9 | | |
| 135 | S | 34.6 | Very low | 39.8 | Very low | 121 Ų | 121 | 126 Ų | 126 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | 79.2 | 99.7 | 169.8 | 69 | 0 | 0 | 0 | 0 | 118.7 | | |
| 136 | S | 31.1 | Very low | 38.8 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -78.3 | 168.2 | 147.6 | 173 | 0 | 0 | 0 | 0 | 110 | | |
| 137 | P | 50.3 | Low | 38.1 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | | | cis | -127.9 | 163.5 | -27 | 29.4 | -12.3 | 0 | 0 | 0 | 113.4 | | |
| 138 | V | 32.7 | Very low | 37.6 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | | | trans | -162.7 | 149.5 | 132.2 | 121.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 139 | N | 32.9 | Very low | 37.2 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 65% | 0.647 | 79% | 0.793 | S | S | * | * | | | trans | -64.4 | 136.7 | -179 | -175.1 | 20.9 | 0 | 0 | 0 | 114 | F141 | N139-F141 WeakPolarHBondContact OD1-CD2 3.45Å; N139-F141 WeakPolarHBondContact OD1-CE2 3.38Å |
| 140 | S | 33.7 | Very low | 37.1 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | | | trans | -161.7 | 119.7 | 150.6 | -145.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 141 | F | 33.3 | Very low | 36.8 | Very low | 183 Ų | 183 | 139.9 Ų | 139.9 | 80% | 0.803 | 80% | 0.8 | S | S | * | * | | | trans | -90.7 | 130.8 | 171.2 | -71.7 | -100.6 | 0 | 0 | 0 | 109.7 | N139 | N139-F141 WeakPolarHBondContact OD1-CD2 3.45Å; N139-F141 WeakPolarHBondContact OD1-CE2 3.38Å |
| 142 | H | 36.4 | Very low | 36.9 | Very low | 171 Ų | 171 | 140 Ų | 140 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | | | trans | -142.2 | 129.4 | 158.4 | -165.9 | -75.9 | 0 | 0 | 0 | 111.2 | | |
| 143 | V | 35.8 | Very low | 37.5 | Very low | 124 Ų | 124 | 143 Ų | 143 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | | | trans | -93.3 | 129.7 | 179.7 | 171.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 144 | Q | 33.4 | Very low | 37.8 | Very low | 162 Ų | 162 | 148.9 Ų | 148.9 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | | | trans | -163.6 | 124.9 | 137.4 | -118.6 | 169.9 | -5 | 0 | 0 | 113.1 | | |
| 145 | A | 33.1 | Very low | 38.3 | Very low | 86 Ų | 86 | 148.4 Ų | 148.4 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | trans | -69.4 | 156 | 151.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 146 | Q | 36.3 | Very low | 38.8 | Very low | 184 Ų | 184 | 150.9 Ų | 150.9 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | trans | -157.2 | 154.3 | 131.5 | -77.2 | -136.4 | 20.6 | 0 | 0 | 110.9 | | |
| 147 | V | 36.3 | Very low | 39.6 | Very low | 143 Ų | 143 | 154.8 Ų | 154.8 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | | | trans | -84.6 | 153.2 | -179.1 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 148 | G | 34 | Very low | 39.1 | Very low | 74 Ų | 74 | 157.2 Ų | 157.2 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | | | trans | -169.7 | 91.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 149 | E | 41.6 | Very low | 39.6 | Very low | 162 Ų | 162 | 154.9 Ų | 154.9 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | | | trans | -66.4 | 172.9 | 167.7 | -78.3 | -177.7 | 68.6 | 0 | 0 | 113.3 | | |
| 150 | R | 46.5 | Very low | 40.1 | Very low | 213 Ų | 213 | 154.2 Ų | 154.2 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | 85.6 | 94.9 | 156.8 | -48 | -168.5 | -178.5 | -171.9 | -0.1 | 117.6 | | |
| 151 | R | 41.2 | Very low | 40.7 | Very low | 259 Ų | 259 | 156.7 Ų | 156.7 | 98% | 0.977 | 80% | 0.796 | S | S | * | * | | | trans | -173.4 | 81.8 | 135.7 | -99.3 | 156.2 | -164.4 | -139.5 | 4.9 | 109.6 | | |
| 152 | G | 40.3 | Very low | 41.4 | Very low | 83 Ų | 83 | 155.1 Ų | 155.1 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | | | trans | -116.7 | 4.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 153 | D | 48.3 | Very low | 42.2 | Very low | 155 Ų | 155 | 152 Ų | 152 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | | | trans | -118.7 | 55.7 | -165.5 | -165.9 | 16.2 | 0 | 0 | 0 | 112.1 | | |
| 154 | R | 45.2 | Very low | 42.7 | Very low | 243 Ų | 243 | 155.7 Ų | 155.7 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -160.1 | 41.1 | 173.2 | -152.7 | 179.8 | 175.9 | 168.4 | -0.6 | 113.8 | | |
| 155 | L | 46.8 | Very low | 43.9 | Very low | 144 Ų | 144 | 150.5 Ų | 150.5 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -132.7 | 3.2 | 175.2 | -148.1 | 89.3 | 0 | 0 | 0 | 115.1 | | |
| 156 | E | 46.2 | Very low | 45.2 | Very low | 173 Ų | 173 | 150.2 Ų | 150.2 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -90.1 | -12.7 | -177.8 | -62.1 | -155.2 | 127.6 | 0 | 0 | 114.5 | | |
| 157 | Q | 47.5 | Very low | 46.5 | Very low | 192 Ų | 192 | 145 Ų | 145 | 90% | 0.897 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -93.1 | 0.3 | -176.7 | -74.1 | 174.7 | -1.1 | 0 | 0 | 115.1 | | |
| 158 | Q | 40.3 | Very low | 47.8 | Very low | 162 Ų | 162 | 146.2 Ų | 146.2 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -102.2 | -7.6 | 177.2 | -163 | 172.3 | -28.2 | 0 | 0 | 113.5 | T160 | Q158-T160 VanDerWaalsContact C-N 3.32Å; Q158-T160 PolarHBondContact O-N 3.37Å |
| 159 | V | 43.1 | Very low | 49.2 | Very low | 99 Ų | 99 | 151.2 Ų | 151.2 | 60% | 0.6 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -79.1 | -14.4 | -175.8 | -178.2 | 0 | 0 | 0 | 0 | 112.9 | N163 | V159-N163 PolarHBondContact O-ND2 3.13Š|
| 160 | T | 42.3 | Very low | 50.5 | Low | 107 Ų | 107 | 149.5 Ų | 149.5 | 66% | 0.656 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -87 | -20.6 | -170.1 | -18.4 | 0 | 0 | 0 | 0 | 114.9 | Q158 | Q158-T160 VanDerWaalsContact C-N 3.32Å; Q158-T160 PolarHBondContact O-N 3.37Å |
| 161 | E | 47.3 | Very low | 52 | Low | 171 Ų | 171 | 146.2 Ų | 146.2 | 80% | 0.799 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -112.4 | 17.4 | -164.7 | -87.9 | -70.4 | 165 | 0 | 0 | 115.9 | | |
| 162 | E | 48.2 | Very low | 53.5 | Low | 151 Ų | 151 | 140.5 Ų | 140.5 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | | | trans | -118.9 | 9.1 | 171.8 | 64.3 | 179.3 | 178.5 | 0 | 0 | 115 | K164 | E162-K164 PolarHBondContact O-N 2.83Š|
| 163 | N | 52.9 | Low | 55.2 | Low | 104 Ų | 104 | 146.5 Ų | 146.5 | 56% | 0.556 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 21.7 | -176.7 | -62.9 | -47.4 | 0 | 0 | 0 | 115.1 | V159 T165 | V159-N163 PolarHBondContact O-ND2 3.13Å; N163-T165 VanDerWaalsContact C-N 3.26Å |
| 164 | K | 46.4 | Very low | 56.3 | Low | 203 Ų | 203 | 143.1 Ų | 143.1 | 88% | 0.883 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 15.8 | 169.5 | -79.3 | 176.5 | -178.9 | 158.9 | 0 | 113.4 | E162 | E162-K164 PolarHBondContact O-N 2.83Š|
| 165 | T | 57.6 | Low | 57 | Low | 53 Ų | 53 | 142 Ų | 142 | 33% | 0.325 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -69.1 | 132.1 | 163.7 | 56.3 | 0 | 0 | 0 | 0 | 109.4 | N163 R169 | N163-T165 VanDerWaalsContact C-N 3.26Å; T165-R169 HydrophobicContact CG2-CB 4.45Å; T165-R169 HydrophobicContact CG2-CG 4.38Å |
| 166 | S | 60.6 | Low | 57.9 | Low | 79 Ų | 79 | 141.6 Ų | 141.6 | 55% | 0.552 | 68% | 0.676 | S | S | * | * | | | trans | -51.1 | 154 | 179.8 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | Y168 R169 | S166-Y168 PolarHBondContact O-N 2.93Å; S166-R169 WeakPolarHBondContact O-CB 3.21Å; S166-R169 PolarHBondContact O-N 3.16Å |
| 167 | S | 65.1 | Low | 58.6 | Low | 76 Ų | 76 | 136.7 Ų | 136.7 | 53% | 0.531 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -50.4 | -35.3 | -174.8 | 73.7 | 0 | 0 | 0 | 0 | 113.3 | R169 Q170 E171 | S167-R169 PolarHBondContact O-N 2.88Å; S167-R169 VanDerWaalsContact O-N 3.09Å; S167-Q170 WeakPolarHBondContact O-CA 3.44Å; S167-Q170 WeakPolarHBondContact O-CB 3.31Å; S167-Q170 PolarHBondContact O-N 3.37Å; S167-E171 PolarHBondContact O-N 3.32Å; S167-E171 VanDerWaalsContact O-N 3.08Å; S167-E171 PolarHBondContact OG-OE1 3.03Å |
| 168 | Y | 62.8 | Low | 59.2 | Low | 167 Ų | 167 | 133.3 Ų | 133.3 | 66% | 0.655 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -46.2 | -36.1 | 171 | -173.3 | -105.1 | 0 | 0 | 0 | 115.1 | S166 Y172 | S166-Y168 PolarHBondContact O-N 2.93Å; Y168-Y172 WeakPolarHBondContact O-CB 3.32Å; Y168-Y172 PolarHBondContact O-N 3.01Å |
| 169 | R | 62.7 | Low | 60.4 | Low | 179 Ų | 179 | 134.5 Ų | 134.5 | 68% | 0.675 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -79.3 | -23.9 | 176.3 | -82.5 | -109.5 | -177.1 | 138.1 | -1.3 | 113.8 | T165 S166 S167 | T165-R169 HydrophobicContact CG2-CB 4.45Å; T165-R169 HydrophobicContact CG2-CG 4.38Å; S166-R169 WeakPolarHBondContact O-CB 3.21Å; S166-R169 PolarHBondContact O-N 3.16Å; S167-R169 PolarHBondContact O-N 2.88Å; S167-R169 VanDerWaalsContact O-N 3.09Å |
| 170 | Q | 69.3 | Low | 61.1 | Low | 127 Ų | 127 | 135.4 Ų | 135.4 | 59% | 0.593 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -81.6 | -32.3 | 177.7 | -57.1 | -178.9 | 7 | 0 | 0 | 111.1 | S167 | S167-Q170 WeakPolarHBondContact O-CA 3.44Å; S167-Q170 WeakPolarHBondContact O-CB 3.31Å; S167-Q170 PolarHBondContact O-N 3.37Å |
| 171 | E | 77.9 | Confident | 61.8 | Low | 144 Ų | 144 | 135 Ų | 135 | 67% | 0.673 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -80.5 | -28.3 | 177.5 | -66.1 | 166.2 | -131.9 | 0 | 0 | 112.9 | S167 R173 | S167-E171 PolarHBondContact O-N 3.32Å; S167-E171 VanDerWaalsContact O-N 3.08Å; S167-E171 PolarHBondContact OG-OE1 3.03Å; E171-R173 PolarHBondContact O-N 3.31Å |
| 172 | Y | 72.4 | Confident | 62.3 | Low | 139 Ų | 139 | 138.5 Ų | 138.5 | 55% | 0.545 | 69% | 0.689 | S | S | . | * | | | trans | -73.8 | 93.6 | -178.5 | -166.5 | -90.3 | 0 | 0 | 0 | 112.6 | Y168 P174 | Y168-Y172 WeakPolarHBondContact O-CB 3.32Å; Y168-Y172 PolarHBondContact O-N 3.01Å; Y172-P174 HydrophobicContact CE1-CB 4.47Å |
| 173 | R | 75.9 | Confident | 62.9 | Low | 209 Ų | 209 | 135.5 Ų | 135.5 | 79% | 0.789 | 69% | 0.685 | S | S | * | * | | | trans | -83 | 124.9 | 162.9 | -64 | -167.5 | 179.2 | -85.4 | -3.8 | 109.5 | E171 W175 | E171-R173 PolarHBondContact O-N 3.31Å; R173-W175 PolarHBondContact O-N 3.09Å |
| 174 | P | 70.9 | Confident | 62.8 | Low | 84 Ų | 84 | 135.5 Ų | 135.5 | 55% | 0.545 | 70% | 0.699 | S | S | . | * | | | trans | -61.2 | 136.4 | 172.6 | 25.9 | -32.9 | 0 | 0 | 0 | 109.4 | Y172 T176 | Y172-P174 HydrophobicContact CE1-CB 4.47Å; P174-T176 VanDerWaalsContact C-N 3.27Å; P174-T176 HydrophobicContact CG-CG2 4.33Å; P174-T176 PolarHBondContact O-N 2.98Å |
| 175 | W | 61.5 | Low | 63.4 | Low | 220 Ų | 220 | 136 Ų | 136 | 83% | 0.833 | 70% | 0.695 | S | S | * | * | | | trans | -71.6 | 78.5 | -177.8 | -69.5 | 78.3 | 0 | 0 | 0 | 111.1 | R173 G177 | R173-W175 PolarHBondContact O-N 3.09Å; W175-G177 VanDerWaalsContact C-N 3.28Å; W175-G177 PolarHBondContact O-N 2.98Å |
| 176 | T | 65.1 | Low | 62.8 | Low | 134 Ų | 134 | 144.2 Ų | 144.2 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -1.5 | -176.5 | 49 | 0 | 0 | 0 | 0 | 114.5 | P174 | P174-T176 VanDerWaalsContact C-N 3.27Å; P174-T176 HydrophobicContact CG-CG2 4.33Å; P174-T176 PolarHBondContact O-N 2.98Å |
| 177 | G | 61.6 | Low | 62.3 | Low | 71 Ų | 71 | 147 Ų | 147 | 73% | 0.732 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -20.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | W175 K179 | W175-G177 VanDerWaalsContact C-N 3.28Å; W175-G177 PolarHBondContact O-N 2.98Å; G177-K179 PolarHBondContact O-N 2.75Å; G177-K179 VanDerWaalsContact O-N 3.08Å |
| 178 | V | 59.6 | Low | 61.5 | Low | 121 Ų | 121 | 149.1 Ų | 149.1 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | | | trans | -83.8 | 92.1 | -176.3 | -170.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 179 | K | 64.5 | Low | 60.8 | Low | 187 Ų | 187 | 147.3 Ų | 147.3 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 127.7 | 164.5 | -74.7 | 173.3 | 178 | 164.5 | 0 | 108.1 | G177 A181 | G177-K179 PolarHBondContact O-N 2.75Å; G177-K179 VanDerWaalsContact O-N 3.08Å; K179-A181 PolarHBondContact O-N 3.22Å |
| 180 | P | 58.7 | Low | 60.1 | Low | 118 Ų | 118 | 142.4 Ų | 142.4 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 131.6 | 170.6 | -26.5 | 34.5 | 0 | 0 | 0 | 109 | R182 | P180-R182 PolarHBondContact O-N 2.84Š|
| 181 | A | 55.9 | Low | 59.2 | Low | 99 Ų | 99 | 144.6 Ų | 144.6 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 122.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | K179 S183 | K179-A181 PolarHBondContact O-N 3.22Å; A181-S183 PolarHBondContact O-N 3.37Å |
| 182 | R | 59.1 | Low | 57.2 | Low | 243 Ų | 243 | 148.1 Ų | 148.1 | 92% | 0.917 | 76% | 0.764 | S | S | * | * | | | trans | -59.5 | 105.5 | -179.4 | -79.7 | -170.4 | 170.8 | -164.2 | -2.5 | 107.2 | P180 A184 | P180-R182 PolarHBondContact O-N 2.84Å; R182-A184 PolarHBondContact O-N 3.05Å |
| 183 | S | 60.7 | Low | 56.1 | Low | 89 Ų | 89 | 146.4 Ų | 146.4 | 62% | 0.622 | 77% | 0.772 | S | S | * | * | | | trans | -53.4 | 119.5 | 172.7 | 60.5 | 0 | 0 | 0 | 0 | 106.6 | A181 R185 | A181-S183 PolarHBondContact O-N 3.37Å; S183-R185 PolarHBondContact O-N 3.4Å |
| 184 | A | 51.5 | Low | 54.3 | Low | 103 Ų | 103 | 141.2 Ų | 141.2 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | | | trans | -72.4 | 62 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | R182 R186 | R182-A184 PolarHBondContact O-N 3.05Å; A184-R186 PolarHBondContact O-N 3.39Å |
| 185 | R | 58.3 | Low | 53.3 | Low | 213 Ų | 213 | 142.4 Ų | 142.4 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | -63 | 90.7 | 154.9 | -68.5 | -167.2 | -162.1 | -105.7 | 7.2 | 105.1 | S183 N187 | S183-R185 PolarHBondContact O-N 3.4Å; R185-N187 PolarHBondContact O-N 3.27Å |
| 186 | R | 45.3 | Very low | 52.4 | Low | 227 Ų | 227 | 139.1 Ų | 139.1 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | | | trans | -49.4 | 111.3 | 163.1 | -171.2 | -177.9 | -168.5 | -141.5 | 4.6 | 105.6 | A184 P188 | A184-R186 PolarHBondContact O-N 3.39Å; R186-P188 WeakPolarHBondContact O-CD 3.28Å; R186-P188 VanDerWaalsContact O-N 3.14Å |
| 187 | N | 49.9 | Very low | 51.7 | Low | 137 Ų | 137 | 136.4 Ų | 136.4 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 123.2 | 170.4 | -72.8 | -30 | 0 | 0 | 0 | 105.9 | R185 T189 | R185-N187 PolarHBondContact O-N 3.27Å; N187-T189 PolarHBondContact O-N 3.08Å |
| 188 | P | 47.3 | Very low | 50.8 | Low | 120 Ų | 120 | 136.5 Ų | 136.5 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 116.1 | 168.4 | 26.4 | -30.8 | 0 | 0 | 0 | 105.7 | R186 A190 | R186-P188 WeakPolarHBondContact O-CD 3.28Å; R186-P188 VanDerWaalsContact O-N 3.14Å; P188-A190 PolarHBondContact O-N 2.74Å; P188-A190 VanDerWaalsContact O-N 3.13Å |
| 189 | T | 48.7 | Very low | 50.3 | Low | 130 Ų | 130 | 136 Ų | 136 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 124.1 | -178.6 | -51.8 | 0 | 0 | 0 | 0 | 108.2 | N187 Q191 | N187-T189 PolarHBondContact O-N 3.08Å; T189-Q191 PolarHBondContact O-N 3.11Å |
| 190 | A | 48 | Very low | 49.6 | Very low | 76 Ų | 76 | 133.1 Ų | 133.1 | 63% | 0.628 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 130.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | P188 | P188-A190 PolarHBondContact O-N 2.74Å; P188-A190 VanDerWaalsContact O-N 3.13Å |
| 191 | Q | 51.3 | Low | 49.2 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | 58.4 | 80.6 | 148 | -57.2 | 167.2 | 13.2 | 0 | 0 | 115.6 | T189 | T189-Q191 PolarHBondContact O-N 3.11Š|
| 192 | Y | 34.9 | Very low | 49.3 | Very low | 219 Ų | 219 | 138 Ų | 138 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | trans | -85.6 | 95.7 | 141.2 | -169.3 | -99.4 | 0 | 0 | 0 | 108 | S194 | Y192-S194 PolarHBondContact O-N 2.78Š|
| 193 | S | 48.7 | Very low | 49.4 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | trans | -64.3 | 113.9 | 172.9 | -60.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 194 | S | 39.7 | Very low | 49.4 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -96.8 | 136.3 | 168.1 | -157 | 0 | 0 | 0 | 0 | 109.5 | Y192 | Y192-S194 PolarHBondContact O-N 2.78Š|
| 195 | P | 48 | Very low | 50.7 | Low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | | | trans | -81.9 | 136.9 | -168.9 | -6.5 | 24.6 | 0 | 0 | 0 | 112.5 | | |
| 196 | V | 44.1 | Very low | 51.7 | Low | 151 Ų | 151 | 130.4 Ų | 130.4 | 92% | 0.915 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 57 | 102.8 | 151.6 | -176.4 | 0 | 0 | 0 | 0 | 116.8 | | |
| 197 | G | 50.7 | Low | 53.3 | Low | 77 Ų | 77 | 125 Ų | 125 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 133.1 | 87.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 198 | G | 42.3 | Very low | 54.4 | Low | 72 Ų | 72 | 126.5 Ų | 126.5 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | | | trans | 84 | 100 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | T200 | G198-T200 PolarHBondContact O-N 3.25Š|
| 199 | A | 47.9 | Very low | 55.8 | Low | 110 Ų | 110 | 125.4 Ų | 125.4 | 91% | 0.909 | 72% | 0.719 | S | S | * | * | | | trans | -78.9 | 81.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | H201 | A199-H201 PolarHBondContact O-N 3.49Š|
| 200 | T | 49.5 | Very low | 56.9 | Low | 127 Ų | 127 | 122.5 Ų | 122.5 | 78% | 0.779 | 71% | 0.709 | S | S | * | * | | | trans | -69.7 | 113 | 161.3 | 21.3 | 0 | 0 | 0 | 0 | 108.8 | G198 I202 | G198-T200 PolarHBondContact O-N 3.25Å; T200-I202 PolarHBondContact O-N 3.47Å |
| 201 | H | 52.1 | Low | 58.3 | Low | 169 Ų | 169 | 122.8 Ų | 122.8 | 78% | 0.782 | 71% | 0.711 | S | S | * | * | | | trans | -60.6 | 100.1 | 171.9 | 167.8 | -80 | 0 | 0 | 0 | 109.2 | A199 P203 | A199-H201 PolarHBondContact O-N 3.49Å; H201-P203 WeakPolarHBondContact O-CD 3.26Å |
| 202 | I | 56.7 | Low | 58.8 | Low | 152 Ų | 152 | 123.6 Ų | 123.6 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | | | trans | -70.7 | 109 | 170.4 | -58.6 | 174.5 | 0 | 0 | 0 | 106.7 | T200 | T200-I202 PolarHBondContact O-N 3.47Š|
| 203 | P | 62.2 | Low | 60.4 | Low | 63 Ų | 63 | 116.2 Ų | 116.2 | 41% | 0.409 | 69% | 0.688 | S | S | . | * | | | trans | -67.4 | 150.2 | 179.8 | 30 | -32.2 | 0 | 0 | 0 | 109.5 | H201 E205 | H201-P203 WeakPolarHBondContact O-CD 3.26Å; P203-E205 HydrophobicContact CG-CG 4.14Å; P203-E205 PolarHBondContact O-N 3.38Å |
| 204 | R | 60.7 | Low | 61.1 | Low | 244 Ų | 244 | 115 Ų | 115 | 92% | 0.921 | 69% | 0.692 | S | S | * | * | | | trans | -79.3 | 77.1 | 178.4 | -165.8 | -176.2 | -172.4 | -169.1 | 4.1 | 110 | | |
| 205 | E | 77.4 | Confident | 62 | Low | 106 Ų | 106 | 118.2 Ų | 118.2 | 50% | 0.495 | 70% | 0.696 | S | S | . | * | | | trans | -61.6 | 136.5 | -176.5 | -72.7 | 168.8 | -152.1 | 0 | 0 | 112.2 | P203 | P203-E205 HydrophobicContact CG-CG 4.14Å; P203-E205 PolarHBondContact O-N 3.38Å |
| 206 | T | 80.6 | Confident | 62.3 | Low | 75 Ų | 75 | 119.3 Ų | 119.3 | 46% | 0.46 | 70% | 0.7 | S | S | . | * | | | trans | -85.3 | 154.6 | 168.6 | 58.3 | 0 | 0 | 0 | 0 | 109.7 | Y208 Q209 A210 | T206-Y208 PolarHBondContact O-N 3.36Å; T206-Y208 VanDerWaalsContact O-N 3.12Å; T206-Q209 WeakPolarHBondContact O-CA 3.36Å; T206-Q209 WeakPolarHBondContact O-CB 3.4Å; T206-Q209 PolarHBondContact O-N 3.04Å; T206-Q209 WeakPolarHBondContact OG1-CG 3.44Å; T206-Q209 PolarHBondContact OG1-N 3.14Å; T206-Q209 PolarHBondContact OG1-OE1 3.06Å; T206-A210 PolarHBondContact O-N 3.21Å |
| 207 | S | 78.8 | Confident | 62.6 | Low | 112 Ų | 112 | 116.9 Ų | 116.9 | 78% | 0.783 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -56.5 | -29.8 | 177 | 50.9 | 0 | 0 | 0 | 0 | 113.3 | A211 | S207-A211 WeakPolarHBondContact O-CB 3.24Å; S207-A211 PolarHBondContact O-N 3.42Å |
| 208 | Y | 73.3 | Confident | 62.3 | Low | 169 Ų | 169 | 124.8 Ų | 124.8 | 66% | 0.663 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -68.1 | -39.8 | 173.1 | -177.8 | -100.1 | 0 | 0 | 0 | 112.8 | T206 A211 Y212 | T206-Y208 PolarHBondContact O-N 3.36Å; T206-Y208 VanDerWaalsContact O-N 3.12Å; Y208-A211 PolarHBondContact O-N 2.97Å; Y208-Y212 PolarHBondContact O-N 3.45Å |
| 209 | Q | 76.2 | Confident | 62.1 | Low | 98 Ų | 98 | 125.3 Ų | 125.3 | 46% | 0.458 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -66.5 | -49.9 | 174 | -76.4 | 169.5 | -44.7 | 0 | 0 | 110.7 | T206 A211 Y212 S213 | T206-Q209 WeakPolarHBondContact O-CA 3.36Å; T206-Q209 WeakPolarHBondContact O-CB 3.4Å; T206-Q209 PolarHBondContact O-N 3.04Å; T206-Q209 WeakPolarHBondContact OG1-CG 3.44Å; T206-Q209 PolarHBondContact OG1-N 3.14Å; T206-Q209 PolarHBondContact OG1-OE1 3.06Å; Q209-A211 PolarHBondContact O-N 3.11Å; Q209-Y212 CarbonylContact O-C 3.59Å; Q209-Y212 PolarHBondContact O-N 3.43Å; Q209-S213 WeakPolarHBondContact O-CB 3.42Å; Q209-S213 PolarHBondContact O-N 3.08Å; Q209-S213 PolarHBondContact O-OG 3.32Å |
| 210 | A | 72.4 | Confident | 61.6 | Low | 69 Ų | 69 | 129.9 Ų | 129.9 | 57% | 0.57 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -57 | -24.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T206 | T206-A210 PolarHBondContact O-N 3.21Å |
| 211 | A | 75.9 | Confident | 60.9 | Low | 82 Ų | 82 | 128.4 Ų | 128.4 | 68% | 0.678 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -12 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S207 Y208 Q209 | S207-A211 WeakPolarHBondContact O-CB 3.24Å; S207-A211 PolarHBondContact O-N 3.42Å; Y208-A211 PolarHBondContact O-N 2.97Å; Q209-A211 PolarHBondContact O-N 3.11Å |
| 212 | Y | 62.7 | Low | 60.1 | Low | 189 Ų | 189 | 124 Ų | 124 | 74% | 0.741 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.6 | 3.4 | -169.6 | -144.2 | -99.7 | 0 | 0 | 0 | 115.9 | Y208 Q209 G214 | Y208-Y212 PolarHBondContact O-N 3.45Å; Q209-Y212 CarbonylContact O-C 3.59Å; Q209-Y212 PolarHBondContact O-N 3.43Å; Y212-G214 PolarHBondContact O-N 3Å |
| 213 | S | 69.4 | Low | 59.2 | Low | 64 Ų | 64 | 126.6 Ų | 126.6 | 45% | 0.448 | 70% | 0.702 | S | S | . | * | | | trans | -68.9 | 112.4 | 164.7 | 45.7 | 0 | 0 | 0 | 0 | 108.5 | Q209 E215 | Q209-S213 WeakPolarHBondContact O-CB 3.42Å; Q209-S213 PolarHBondContact O-N 3.08Å; Q209-S213 PolarHBondContact O-OG 3.32Å; S213-E215 PolarHBondContact O-N 3.5Å |
| 214 | G | 62 | Low | 57.9 | Low | 77 Ų | 77 | 133.4 Ų | 133.4 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | | | trans | -71.7 | 44.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y212 V216 | Y212-G214 PolarHBondContact O-N 3Å; G214-V216 PolarHBondContact O-N 3.16Å |
| 215 | E | 58.2 | Low | 56.7 | Low | 167 Ų | 167 | 126.3 Ų | 126.3 | 78% | 0.78 | 72% | 0.719 | S | S | * | * | | | trans | -79.7 | 49.3 | 179.4 | -160.5 | 166.2 | -167.9 | 0 | 0 | 112.3 | S213 S217 | S213-E215 PolarHBondContact O-N 3.5Å; E215-S217 PolarHBondContact O-N 2.74Å |
| 216 | V | 54.8 | Low | 54.9 | Low | 132 Ų | 132 | 129.6 Ų | 129.6 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | | | trans | -88.2 | 85.7 | 156 | 176.4 | 0 | 0 | 0 | 0 | 106.8 | G214 | G214-V216 PolarHBondContact O-N 3.16Š|
| 217 | S | 51.7 | Low | 52.9 | Low | 100 Ų | 100 | 134.3 Ų | 134.3 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | | | trans | 155.6 | 87.7 | 148.4 | -72.9 | 0 | 0 | 0 | 0 | 114 | E215 | E215-S217 PolarHBondContact O-N 2.74Š|
| 218 | R | 44.5 | Very low | 51.1 | Low | 244 Ų | 244 | 136.2 Ų | 136.2 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | | | | -174.4 | 165.4 | 121 | -104.1 | 177.3 | -73.8 | -167 | 1.4 | 112.3 | | |
| 219 | A | 37.8 | Very low | 49.5 | Very low | 82 Ų | 82 | 133.9 Ų | 133.9 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | | | trans | 79.2 | 41.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | S221 | A219-S221 PolarHBondContact O-N 3.23Å; A219-S221 VanDerWaalsContact O-N 3.15Å |
| 220 | M | 36.6 | Very low | 48.2 | Very low | 206 Ų | 206 | 134.4 Ų | 134.4 | 100% | 1.015 | 77% | 0.773 | S | S | * | * | | | trans | -75.5 | 66.5 | 135.7 | -80.8 | -84.5 | -158.8 | 0 | 0 | 108.6 | | |
| 221 | S | 34.2 | Very low | 46.2 | Very low | 97 Ų | 97 | 137 Ų | 137 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | | | trans | -101.4 | 94.1 | -177.3 | 55.9 | 0 | 0 | 0 | 0 | 111.5 | A219 | A219-S221 PolarHBondContact O-N 3.23Å; A219-S221 VanDerWaalsContact O-N 3.15Å |
| 222 | G | 36.9 | Very low | 44.2 | Very low | 77 Ų | 77 | 138 Ų | 138 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | | | trans | 27.1 | 108.7 | 159 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 223 | Q | 37.8 | Very low | 42.9 | Very low | 206 Ų | 206 | 133.6 Ų | 133.6 | 96% | 0.963 | 80% | 0.797 | S | S | * | * | | | trans | -101.9 | 131.3 | 143.8 | -71.7 | -121.5 | -35.9 | 0 | 0 | 109.1 | | |
| 224 | K | 35 | Very low | 41.3 | Very low | 206 Ų | 206 | 136.2 Ų | 136.2 | 90% | 0.896 | 82% | 0.816 | S | S | * | * | | | trans | -109.8 | 115.5 | -172 | 169.4 | -168.3 | 170.6 | -173.1 | 0 | 109.3 | | |
| 225 | A | 33.8 | Very low | 40 | Very low | 94 Ų | 94 | 140.3 Ų | 140.3 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | | | trans | -149.7 | 90.6 | 159 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 226 | E | 39.9 | Very low | 39.1 | Very low | 175 Ų | 175 | 139.4 Ų | 139.4 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | | 67.3 | 99.2 | 92.8 | -170.6 | 173.9 | 162.1 | 0 | 0 | 112.5 | | |
| 227 | L | 38.6 | Very low | 38.1 | Very low | 175 Ų | 175 | 140.9 Ų | 140.9 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | | | trans | -166.1 | 119 | 146 | -100.4 | 162.1 | 0 | 0 | 0 | 107.4 | | |
| 228 | I | 40.7 | Very low | 37.6 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | | | trans | -108.9 | 140.4 | 176.6 | -71.7 | 175.3 | 0 | 0 | 0 | 104.6 | | |
| 229 | P | 41.1 | Very low | 37 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | | | | -153.7 | -161.8 | 74 | 50.8 | -29.1 | 0 | 0 | 0 | 114 | | |
| 230 | P | 49.5 | Very low | 37.4 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 71% | 0.708 | 82% | 0.817 | S | S | * | * | | | | -130.4 | 159.7 | -108.7 | 32.6 | -10.7 | 0 | 0 | 0 | 115.1 | | |
| 231 | S | 30.1 | Very low | 37.2 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | | | trans | -170.8 | 155.6 | 151.6 | -96.6 | 0 | 0 | 0 | 0 | 116 | | |
| 232 | A | 32.6 | Very low | 37.1 | Very low | 102 Ų | 102 | 134 Ų | 134 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | | | trans | 63.4 | 92.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 233 | A | 36.4 | Very low | 37 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | | | trans | -75.6 | 149 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 234 | S | 36.1 | Very low | 36.7 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | | | trans | -169.8 | 76.4 | 157.9 | -76.5 | 0 | 0 | 0 | 0 | 106.6 | | |
| 235 | N | 33 | Very low | 36.5 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | | | | 59.7 | 130.1 | 89.5 | -153.2 | 1.7 | 0 | 0 | 0 | 114 | | |
| 236 | I | 39.4 | Very low | 37.7 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | | | trans | -113.8 | 137.3 | -159.8 | -63 | 165.6 | 0 | 0 | 0 | 110.2 | | |
| 237 | Q | 35.4 | Very low | 37.2 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | | | trans | -163.9 | 146.9 | 140 | -117.1 | 174.4 | -2.6 | 0 | 0 | 112.1 | | |
| 238 | P | 39.7 | Very low | 36.9 | Very low | 126 Ų | 126 | 129 Ų | 129 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | | -134.7 | 154.8 | 109.3 | 35 | -24.2 | 0 | 0 | 0 | 113.7 | | |
| 239 | L | 32 | Very low | 36.6 | Very low | 145 Ų | 145 | 129 Ų | 129 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | | | trans | -131 | 149.7 | 175.3 | -163.8 | 66.5 | 0 | 0 | 0 | 108.8 | | |
| 240 | P | 47 | Very low | 36.3 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | | | trans | -108.7 | -169.8 | -159.6 | 42.2 | -37.2 | 0 | 0 | 0 | 115.1 | | |
| 241 | A | 32 | Very low | 35.4 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | | | trans | 86.6 | 126.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 242 | A | 31.5 | Very low | 35.4 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | | | | -166.8 | 139.2 | 106.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 243 | Q | 36.2 | Very low | 35.3 | Very low | 176 Ų | 176 | 132.1 Ų | 132.1 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | | | trans | -88.7 | 155.4 | 166 | -61.5 | 166.5 | -80.8 | 0 | 0 | 109.5 | | |
| 244 | H | 30.6 | Very low | 35.1 | Very low | 192 Ų | 192 | 132.6 Ų | 132.6 | 89% | 0.889 | 81% | 0.809 | S | S | * | * | | | trans | -151.3 | 134.5 | 139.4 | -126.1 | -82.9 | 0 | 0 | 0 | 113.7 | | |
| 245 | N | 31.3 | Very low | 35 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 72% | 0.717 | 81% | 0.809 | S | S | * | * | | | trans | -100.8 | -172.8 | 173.9 | -94.7 | -25 | 0 | 0 | 0 | 108.8 | | |
| 246 | P | 58.3 | Low | 35.2 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | cis | -137.2 | 178.5 | -45.3 | 38.5 | -23.2 | 0 | 0 | 0 | 112.6 | | |
| 247 | A | 28.8 | Very low | 35.5 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 88% | 0.884 | 81% | 0.805 | S | S | * | * | | | trans | -160.3 | 153.3 | 149.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 248 | A | 32.8 | Very low | 35.4 | Very low | 98 Ų | 98 | 127.9 Ų | 127.9 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | | | trans | -123.9 | 156 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 249 | T | 34.7 | Very low | 35.1 | Very low | 152 Ų | 152 | 127.3 Ų | 127.3 | 93% | 0.933 | 80% | 0.802 | S | S | * | * | | | trans | -145.9 | 149.2 | 152.3 | -18.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 250 | R | 34.1 | Very low | 35.2 | Very low | 241 Ų | 241 | 129 Ų | 129 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | -70 | 167.9 | -164.1 | -89.2 | 172.6 | 159.3 | -179.9 | -5.2 | 119.4 | | |
| 251 | A | 30.9 | Very low | 34.7 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | | | trans | 79.9 | 142.9 | 146 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 252 | G | 29.8 | Very low | 34.8 | Very low | 61 Ų | 61 | 133.4 Ų | 133.4 | 63% | 0.629 | 80% | 0.804 | S | S | * | * | | | cis | 176.1 | 171.8 | -5.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 253 | S | 31.8 | Very low | 34.9 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | trans | 56 | 114.3 | 165.7 | 41.9 | 0 | 0 | 0 | 0 | 118.8 | | |
| 254 | S | 32.5 | Very low | 34.7 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | | | | 78.7 | 138.9 | 96.7 | 101.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 255 | L | 33.9 | Very low | 34.8 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | | | cis | -153.6 | 161.3 | 23.1 | -101.4 | 154.1 | 0 | 0 | 0 | 109.8 | | |
| 256 | S | 36.1 | Very low | 35.8 | Very low | 99 Ų | 99 | 129 Ų | 129 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | | | trans | -80.2 | 173.8 | 159.9 | -53.4 | 0 | 0 | 0 | 0 | 111 | | |
| 257 | P | 46.7 | Very low | 34.4 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | | -139.9 | 164.7 | 96 | 36.8 | -23.7 | 0 | 0 | 0 | 115 | | |
| 258 | S | 33.2 | Very low | 34.5 | Very low | 101 Ų | 101 | 133 Ų | 133 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | trans | -99.2 | 169.6 | 176.7 | -58.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 259 | S | 32.6 | Very low | 34.4 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | 64.6 | 126.5 | 148.1 | 64.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 260 | L | 33.8 | Very low | 34.3 | Very low | 181 Ų | 181 | 135 Ų | 135 | 95% | 0.948 | 78% | 0.779 | S | S | * | * | | | | -141.6 | 157.3 | 127.4 | -113 | 169.3 | 0 | 0 | 0 | 109.7 | | |
| 261 | Q | 36.6 | Very low | 34.5 | Very low | 148 Ų | 148 | 131.7 Ų | 131.7 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | trans | -138.4 | 167.3 | -160 | -152.6 | -168.4 | 34.4 | 0 | 0 | 109.1 | | |
| 262 | Q | 35.9 | Very low | 34.6 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | trans | 73.2 | 156.4 | 161.2 | -58.7 | 169.9 | 31.2 | 0 | 0 | 117.1 | | |
| 263 | S | 31.7 | Very low | 34.6 | Very low | 85 Ų | 85 | 132.1 Ų | 132.1 | 59% | 0.594 | 77% | 0.769 | S | S | * | * | | | cis | -176.7 | -179.5 | -25.1 | 58.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 264 | I | 32.6 | Very low | 34.6 | Very low | 164 Ų | 164 | 133.3 Ų | 133.3 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | | | trans | 93.2 | 137.1 | 151.8 | -65.9 | 156.6 | 0 | 0 | 0 | 121.3 | | |
| 265 | L | 33.4 | Very low | 34.7 | Very low | 160 Ų | 160 | 134.6 Ų | 134.6 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | -154.3 | 150.6 | 178.9 | 173.6 | 77.3 | 0 | 0 | 0 | 104.7 | | |
| 266 | P | 52.5 | Low | 35 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | | | cis | -129.4 | -169.6 | 20.3 | 32.6 | -9.9 | 0 | 0 | 0 | 114.9 | | |
| 267 | Q | 28.2 | Very low | 34.9 | Very low | 191 Ų | 191 | 142.9 Ų | 142.9 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | | | trans | -155.1 | 162.3 | 134.7 | -119.8 | 170.8 | 97.6 | 0 | 0 | 115 | | |
| 268 | T | 30.4 | Very low | 34.6 | Very low | 120 Ų | 120 | 145 Ų | 145 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | | | trans | -108.5 | 154.6 | -163.5 | 47.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 269 | T | 31.4 | Very low | 34.9 | Very low | 146 Ų | 146 | 148.4 Ų | 148.4 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | | | trans | -145.2 | 140.5 | 153.1 | -52.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 270 | E | 32 | Very low | 35.5 | Very low | 146 Ų | 146 | 152.3 Ų | 152.3 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | | | trans | -135.8 | -178.7 | -173.3 | -109.4 | -74.1 | 156.7 | 0 | 0 | 110.1 | | |
| 271 | H | 38.2 | Very low | 35.9 | Very low | 171 Ų | 171 | 150.4 Ų | 150.4 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | | | trans | 77.8 | 145.4 | 172 | -35.8 | -45.2 | 0 | 0 | 0 | 116.3 | | |
| 272 | S | 33.4 | Very low | 36.5 | Very low | 122 Ų | 122 | 150.6 Ų | 150.6 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | cis | -174.1 | 158 | -13.6 | 177.3 | 0 | 0 | 0 | 0 | 106.9 | | |
| 273 | G | 30.4 | Very low | 37 | Very low | 53 Ų | 53 | 152.1 Ų | 152.1 | 55% | 0.546 | 79% | 0.794 | S | S | . | * | | | cis | 161 | -167.5 | 0.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 274 | T | 31.8 | Very low | 38 | Very low | 140 Ų | 140 | 154.4 Ų | 154.4 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | | | trans | 72.4 | 148.7 | 175.2 | 82.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 275 | T | 34.5 | Very low | 38.6 | Very low | 132 Ų | 132 | 154.7 Ų | 154.7 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | cis | -140.4 | 165.1 | 8.3 | 49.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 276 | K | 39.2 | Very low | 39.8 | Very low | 202 Ų | 202 | 155 Ų | 155 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | | | trans | -48 | 141 | 172.4 | -65.9 | 176.8 | 172 | -177.1 | 0 | 115.6 | | |
| 277 | R | 34.6 | Very low | 40 | Very low | 236 Ų | 236 | 155.6 Ų | 155.6 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | | | | -156.1 | 143.2 | 114.8 | -116.9 | -179.8 | -173.3 | 152.4 | 3.7 | 112.1 | | |
| 278 | E | 41.1 | Very low | 41.4 | Very low | 176 Ų | 176 | 152.5 Ų | 152.5 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | trans | -92.9 | 125.6 | 178.4 | 169.9 | -171.7 | 165.4 | 0 | 0 | 108.4 | | |
| 279 | E | 39.2 | Very low | 42.1 | Very low | 172 Ų | 172 | 152.5 Ų | 152.5 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -160.5 | 107.5 | 168 | -111.1 | 160.3 | -122.4 | 0 | 0 | 109.6 | L281 | E279-L281 PolarHBondContact O-N 3.16Š|
| 280 | H | 44.5 | Very low | 43.3 | Very low | 194 Ų | 194 | 151.1 Ų | 151.1 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | trans | -71 | 107.9 | 173 | -93.6 | -114.7 | 0 | 0 | 0 | 110.1 | | |
| 281 | L | 41.3 | Very low | 44.2 | Very low | 142 Ų | 142 | 148.6 Ų | 148.6 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | | | trans | -144.2 | 111 | 165.1 | -147.9 | 75.1 | 0 | 0 | 0 | 112.5 | E279 R283 | E279-L281 PolarHBondContact O-N 3.16Å; L281-R283 PolarHBondContact O-N 3.2Å; L281-R283 VanDerWaalsContact O-N 3.12Å |
| 282 | V | 49.5 | Very low | 45.1 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | | | trans | -65.4 | 109.4 | 171.4 | 176.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 283 | R | 46.6 | Very low | 45.8 | Very low | 190 Ų | 190 | 143.9 Ų | 143.9 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | | | trans | -142.8 | 110.6 | 172.4 | -155.1 | 168 | -166.3 | 160.8 | 3.1 | 112.7 | L281 K285 | L281-R283 PolarHBondContact O-N 3.2Å; L281-R283 VanDerWaalsContact O-N 3.12Å; R283-K285 HydrophobicContact CG-CG 4.46Å; R283-K285 PolarHBondContact O-N 3.41Å |
| 284 | T | 53.8 | Low | 46.7 | Very low | 133 Ų | 133 | 150.8 Ų | 150.8 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | | | trans | -67.2 | 107.9 | 172.3 | 38.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 285 | K | 44.2 | Very low | 47.4 | Very low | 169 Ų | 169 | 152.5 Ų | 152.5 | 74% | 0.735 | 79% | 0.788 | S | S | * | * | | | trans | -144.1 | 93.8 | 170.3 | -71.5 | -63 | 175.4 | -179.9 | 0 | 111.6 | R283 | R283-K285 HydrophobicContact CG-CG 4.46Å; R283-K285 PolarHBondContact O-N 3.41Å |
| 286 | L | 58.3 | Low | 48.1 | Very low | 166 Ų | 166 | 151.9 Ų | 151.9 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 141.4 | 152.6 | -74.1 | 160.8 | 0 | 0 | 0 | 108.3 | | |
| 287 | P | 57 | Low | 48.6 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 145.8 | 175.5 | 28.9 | -34.2 | 0 | 0 | 0 | 110.7 | N289 | P287-N289 PolarHBondContact O-N 3.28Š|
| 288 | P | 57.3 | Low | 49.5 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 124.5 | 172.8 | 28.4 | -32.7 | 0 | 0 | 0 | 109.7 | P290 | P288-P290 WeakPolarHBondContact O-CD 3.33Š|
| 289 | N | 45.9 | Very low | 50.4 | Low | 119 Ų | 119 | 141.1 Ų | 141.1 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 121.7 | 174 | 176.9 | 4.2 | 0 | 0 | 0 | 109.8 | P287 S291 | P287-N289 PolarHBondContact O-N 3.28Å; N289-S291 PolarHBondContact ND2-OG 2.76Å; N289-S291 PolarHBondContact O-N 3.35Å; N289-S291 VanDerWaalsContact OD1-CB 3.32Å; N289-S291 WeakPolarHBondContact OD1-CB 3.15Å; N289-S291 PolarHBondContact OD1-N 2.74Å; N289-S291 PolarHBondContact OD1-OG 2.88Å |
| 290 | P | 55.9 | Low | 51 | Low | 117 Ų | 117 | 138.7 Ų | 138.7 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -74.4 | -3.1 | -179 | 30.6 | -35.9 | 0 | 0 | 0 | 114.6 | P288 A292 | P288-P290 WeakPolarHBondContact O-CD 3.33Å; P290-A292 VanDerWaalsContact C-N 3.25Å; P290-A292 PolarHBondContact O-N 3.21Å |
| 291 | S | 51.6 | Low | 51.2 | Low | 93 Ų | 93 | 137.3 Ų | 137.3 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | | | trans | -80.3 | 23.3 | -170 | 83 | 0 | 0 | 0 | 0 | 116.3 | N289 | N289-S291 PolarHBondContact ND2-OG 2.76Å; N289-S291 PolarHBondContact O-N 3.35Å; N289-S291 VanDerWaalsContact OD1-CB 3.32Å; N289-S291 WeakPolarHBondContact OD1-CB 3.15Å; N289-S291 PolarHBondContact OD1-N 2.74Å; N289-S291 PolarHBondContact OD1-OG 2.88Å |
| 292 | A | 56.6 | Low | 51.4 | Low | 77 Ų | 77 | 138.1 Ų | 138.1 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | | | trans | -138 | 50 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | P290 | P290-A292 VanDerWaalsContact C-N 3.25Å; P290-A292 PolarHBondContact O-N 3.21Å |
| 293 | V | 49.1 | Very low | 51.1 | Low | 117 Ų | 117 | 141.9 Ų | 141.9 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | | | trans | -98.2 | 86 | 165.9 | -173.5 | 0 | 0 | 0 | 0 | 109.2 | Q295 | V293-Q295 HydrophobicContact CG1-CG 4.02Å; V293-Q295 PolarHBondContact O-N 2.98Å |
| 294 | F | 48.5 | Very low | 51.4 | Low | 198 Ų | 198 | 139.5 Ų | 139.5 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | | | trans | -71.7 | 96.7 | 164.5 | -82.8 | -84.9 | 0 | 0 | 0 | 108.8 | S296 | F294-S296 PolarHBondContact O-N 3.02Š|
| 295 | Q | 46.3 | Very low | 51.2 | Low | 176 Ų | 176 | 139.8 Ų | 139.8 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -68.6 | 95.3 | 169.9 | -66 | -175.1 | -2.5 | 0 | 0 | 109.3 | V293 G297 | V293-Q295 HydrophobicContact CG1-CG 4.02Å; V293-Q295 PolarHBondContact O-N 2.98Å; Q295-G297 PolarHBondContact O-N 2.91Å |
| 296 | S | 48.7 | Very low | 51.6 | Low | 120 Ų | 120 | 138.2 Ų | 138.2 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | | | trans | -73.4 | 72.8 | 170.9 | 61.2 | 0 | 0 | 0 | 0 | 110.4 | F294 S298 | F294-S296 PolarHBondContact O-N 3.02Å; S296-S298 PolarHBondContact O-N 2.99Å |
| 297 | G | 50 | Low | 51.2 | Low | 64 Ų | 64 | 136.5 Ų | 136.5 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | | | trans | -67.9 | 114.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q295 R299 | Q295-G297 PolarHBondContact O-N 2.91Å; G297-R299 PolarHBondContact O-N 3.04Å; G297-R299 VanDerWaalsContact O-N 3.11Å |
| 298 | S | 53.7 | Low | 50.9 | Low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | trans | -61.5 | 110.9 | 174.2 | -178.2 | 0 | 0 | 0 | 0 | 110.4 | S296 | S296-S298 PolarHBondContact O-N 2.99Š|
| 299 | R | 59.5 | Low | 50.5 | Low | 214 Ų | 214 | 138.7 Ų | 138.7 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | | | trans | -91.6 | 95.9 | 165.6 | -71.6 | -169.6 | -173.9 | -144.7 | 1 | 108.8 | G297 F301 | G297-R299 PolarHBondContact O-N 3.04Å; G297-R299 VanDerWaalsContact O-N 3.11Å; R299-F301 HydrophobicContact CB-CD2 4.46Å; R299-F301 HydrophobicContact CB-CE2 4.23Å; R299-F301 PolarHBondContact O-N 3.42Å |
| 300 | V | 52.1 | Low | 50.8 | Low | 121 Ų | 121 | 140.1 Ų | 140.1 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | | | trans | -67.1 | 112.5 | 163.2 | -179 | 0 | 0 | 0 | 0 | 107.5 | | |
| 301 | F | 48.6 | Very low | 50.4 | Low | 166 Ų | 166 | 141.8 Ų | 141.8 | 73% | 0.728 | 79% | 0.788 | S | S | * | * | | | trans | -88.7 | 118 | 163.5 | -81.5 | -88.2 | 0 | 0 | 0 | 108.1 | R299 | R299-F301 HydrophobicContact CB-CD2 4.46Å; R299-F301 HydrophobicContact CB-CE2 4.23Å; R299-F301 PolarHBondContact O-N 3.42Å |
| 302 | N | 45.8 | Very low | 50.3 | Low | 159 Ų | 159 | 145.9 Ų | 145.9 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | | | trans | -80.7 | 119.6 | 163.3 | -100.7 | -28.9 | 0 | 0 | 0 | 108.2 | | |
| 303 | I | 44.6 | Very low | 49.7 | Very low | 230 Ų | 230 | 152.2 Ų | 152.2 | 100% | 1.179 | 82% | 0.815 | S | S | * | * | | | trans | -151 | 0 | 162.3 | 6.6 | 173.1 | 0 | 0 | 0 | 107.7 | | |