| 1 | M | 47.4 | Very low | 63.7 | Low | 251 Ų | 251 | 124.5 Ų | 124.5 | 100% | 1.236 | 66% | 0.663 | S | S | * | * | | | | 0 | 85.7 | 0 | -69.8 | -175.1 | 164.2 | 0 | 0 | 108.9 | | |
| 2 | A | 55.7 | Low | 64.9 | Low | 74 Ų | 74 | 121.2 Ų | 121.2 | 61% | 0.612 | 65% | 0.645 | S | S | * | * | | | trans | -138.9 | 73.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | P4 | A2-P4 VanDerWaalsContact C-CD 3.43Š|
| 3 | W | 51.3 | Low | 65.7 | Low | 212 Ų | 212 | 116.5 Ų | 116.5 | 80% | 0.803 | 63% | 0.634 | S | S | * | * | | | trans | -130.3 | 60.9 | 168.5 | -72.7 | 63.8 | 0 | 0 | 0 | 112.4 | I6 | W3-I6 HydrophobicContact CE3-CD1 3.34Å; W3-I6 HydrophobicContact CE3-CG1 3.89Å; W3-I6 HydrophobicContact CH2-CD1 4.18Å; W3-I6 HydrophobicContact CZ3-CD1 3.1Å; W3-I6 HydrophobicContact CZ3-CG1 4.08Å |
| 4 | P | 58 | Low | 66.5 | Low | 86 Ų | 86 | 120.8 Ų | 120.8 | 56% | 0.558 | 64% | 0.636 | S | S | * | * | | | trans | -86.3 | -10.4 | 161.4 | 35.3 | -31.3 | 0 | 0 | 0 | 112.4 | A2 S7 | A2-P4 VanDerWaalsContact C-CD 3.43Å; P4-S7 PolarHBondContact O-OG 3.1Å |
| 5 | C | 56.8 | Low | 66.9 | Low | 98 Ų | 98 | 124.9 Ų | 124.9 | 66% | 0.662 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -77.1 | -31.1 | -169.1 | -51.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 6 | I | 63.8 | Low | 67.3 | Low | 100 Ų | 100 | 128.4 Ų | 128.4 | 51% | 0.513 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -74.9 | -31.2 | 178.5 | -65.7 | -163.8 | 0 | 0 | 0 | 111.9 | W3 C10 | W3-I6 HydrophobicContact CE3-CD1 3.34Å; W3-I6 HydrophobicContact CE3-CG1 3.89Å; W3-I6 HydrophobicContact CH2-CD1 4.18Å; W3-I6 HydrophobicContact CZ3-CD1 3.1Å; W3-I6 HydrophobicContact CZ3-CG1 4.08Å; I6-C10 WeakPolarHBondContact O-CB 3.34Å; I6-C10 PolarHBondContact O-N 2.85Å |
| 7 | S | 67.1 | Low | 67.7 | Low | 68 Ų | 68 | 125 Ų | 125 | 48% | 0.476 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.7 | -42.1 | -178.8 | 77.6 | 0 | 0 | 0 | 0 | 111.4 | P4 C10 C11 | P4-S7 PolarHBondContact O-OG 3.1Å; S7-C10 PolarHBondContact O-N 3.02Å; S7-C11 WeakPolarHBondContact O-CB 3.45Å; S7-C11 PolarHBondContact O-N 2.83Å; S7-C11 PolarHBondContact O-SG 2.7Å |
| 8 | R | 73.6 | Confident | 67.3 | Low | 203 Ų | 203 | 124.7 Ų | 124.7 | 77% | 0.766 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.4 | -45.3 | 178.4 | -76.1 | -171 | 176.1 | -162.9 | 0.1 | 112.6 | C11 L12 | R8-C11 PolarHBondContact O-N 3.4Å; R8-L12 WeakPolarHBondContact O-CG 3.43Å; R8-L12 PolarHBondContact O-N 2.84Å |
| 9 | L | 76.5 | Confident | 67.3 | Low | 131 Ų | 131 | 122.4 Ų | 122.4 | 69% | 0.686 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.9 | -38.3 | 179 | -163 | 68.2 | 0 | 0 | 0 | 111.5 | L12 A13 | L9-L12 PolarHBondContact O-N 2.68Å; L9-A13 WeakPolarHBondContact O-CB 3.48Å; L9-A13 PolarHBondContact O-N 2.99Å |
| 10 | C | 74.8 | Confident | 67.1 | Low | 64 Ų | 64 | 121.3 Ų | 121.3 | 43% | 0.432 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69 | -34.9 | 175.4 | -168.3 | 0 | 0 | 0 | 0 | 112.5 | I6 S7 A13 R14 | I6-C10 WeakPolarHBondContact O-CB 3.34Å; I6-C10 PolarHBondContact O-N 2.85Å; S7-C10 PolarHBondContact O-N 3.02Å; C10-A13 PolarHBondContact O-N 3.25Å; C10-R14 WeakPolarHBondContact O-CB 3.05Å; C10-R14 PolarHBondContact O-N 3.18Å |
| 11 | C | 75.4 | Confident | 66.8 | Low | 82 Ų | 82 | 123.4 Ų | 123.4 | 55% | 0.554 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.7 | -39.9 | 173.1 | -75.6 | 0 | 0 | 0 | 0 | 112 | S7 R8 R15 | S7-C11 WeakPolarHBondContact O-CB 3.45Å; S7-C11 PolarHBondContact O-N 2.83Å; S7-C11 PolarHBondContact O-SG 2.7Å; R8-C11 PolarHBondContact O-N 3.4Å; C11-R15 WeakPolarHBondContact O-CB 3.25Å; C11-R15 PolarHBondContact O-N 2.8Å |
| 12 | L | 78.2 | Confident | 67.5 | Low | 85 Ų | 85 | 114.4 Ų | 114.4 | 45% | 0.445 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.6 | -46.5 | 173.6 | -70.4 | 174.2 | 0 | 0 | 0 | 110.6 | R8 L9 R14 R15 W16 | R8-L12 WeakPolarHBondContact O-CG 3.43Å; R8-L12 PolarHBondContact O-N 2.84Å; L9-L12 PolarHBondContact O-N 2.68Å; L12-R14 VanDerWaalsContact C-N 3.3Å; L12-R14 PolarHBondContact O-N 2.76Å; L12-R15 PolarHBondContact O-N 2.84Å; L12-R15 VanDerWaalsContact O-N 3.13Å; L12-W16 WeakPolarHBondContact O-CB 3.45Å; L12-W16 VanDerWaalsContact O-CD1 3.23Å; L12-W16 PolarHBondContact O-N 2.99Å |
| 13 | A | 75.9 | Confident | 67.5 | Low | 60 Ų | 60 | 115.3 Ų | 115.3 | 50% | 0.496 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -58.4 | -41.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L9 C10 W16 N17 | L9-A13 WeakPolarHBondContact O-CB 3.48Å; L9-A13 PolarHBondContact O-N 2.99Å; C10-A13 PolarHBondContact O-N 3.25Å; A13-W16 PolarHBondContact O-N 3.48Å; A13-N17 WeakPolarHBondContact O-CB 3.43Å; A13-N17 PolarHBondContact O-N 2.88Å |
| 14 | R | 76.4 | Confident | 67.8 | Low | 177 Ų | 177 | 110.9 Ų | 110.9 | 67% | 0.668 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68 | -38.8 | 176 | -171.1 | 175 | -70.5 | 161.5 | -1.8 | 112.4 | C10 L12 Q18 | C10-R14 WeakPolarHBondContact O-CB 3.05Å; C10-R14 PolarHBondContact O-N 3.18Å; L12-R14 VanDerWaalsContact C-N 3.3Å; L12-R14 PolarHBondContact O-N 2.76Å; R14-Q18 WeakPolarHBondContact O-CB 3.46Å; R14-Q18 VanDerWaalsContact O-CG 3.3Å; R14-Q18 WeakPolarHBondContact O-CG 3.28Å; R14-Q18 PolarHBondContact O-N 2.74Å |
| 15 | R | 72.3 | Confident | 67.6 | Low | 183 Ų | 183 | 110.3 Ų | 110.3 | 69% | 0.691 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.1 | -40.9 | 175.8 | -179.4 | 179.4 | 173.3 | -158.6 | -3 | 111.7 | C11 L12 Q18 L19 | C11-R15 WeakPolarHBondContact O-CB 3.25Å; C11-R15 PolarHBondContact O-N 2.8Å; L12-R15 PolarHBondContact O-N 2.84Å; L12-R15 VanDerWaalsContact O-N 3.13Å; R15-Q18 PolarHBondContact O-N 2.96Å; R15-L19 WeakPolarHBondContact O-CB 3.43Å; R15-L19 PolarHBondContact O-N 2.96Å |
| 16 | W | 73.8 | Confident | 67.3 | Low | 180 Ų | 180 | 109.8 Ų | 109.8 | 68% | 0.682 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.8 | -40.2 | 176.7 | -87.2 | 88.6 | 0 | 0 | 0 | 112 | L12 A13 Q18 L19 D20 | L12-W16 WeakPolarHBondContact O-CB 3.45Å; L12-W16 VanDerWaalsContact O-CD1 3.23Å; L12-W16 PolarHBondContact O-N 2.99Å; A13-W16 PolarHBondContact O-N 3.48Å; W16-Q18 VanDerWaalsContact C-N 3.33Å; W16-Q18 PolarHBondContact O-N 3.14Å; W16-L19 PolarHBondContact O-N 2.88Å; W16-D20 VanDerWaalsContact O-CB 3.29Å; W16-D20 WeakPolarHBondContact O-CB 3.27Å; W16-D20 PolarHBondContact O-N 3.1Å |
| 17 | N | 74 | Confident | 66.8 | Low | 71 Ų | 71 | 109.4 Ų | 109.4 | 38% | 0.38 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.1 | -34.1 | 175.3 | -163.4 | -87.3 | 0 | 0 | 0 | 112.7 | A13 R21 | A13-N17 WeakPolarHBondContact O-CB 3.43Å; A13-N17 PolarHBondContact O-N 2.88Å; N17-R21 WeakPolarHBondContact O-CG 3.47Å; N17-R21 PolarHBondContact O-N 2.87Å; N17-R21 VanDerWaalsContact O-N 3.14Å; N17-R21 PolarHBondContact OD1-NE 2.81Å; N17-R21 VanDerWaalsContact OD1-NE 3.15Å; N17-R21 PolarHBondContact OD1-NH2 3.19Å |
| 18 | Q | 61.3 | Low | 66.3 | Low | 119 Ų | 119 | 113.1 Ų | 113.1 | 56% | 0.556 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.3 | -38.1 | 172.4 | -74.4 | -76.2 | 53.5 | 0 | 0 | 112.3 | R14 R15 W16 S22 | R14-Q18 WeakPolarHBondContact O-CB 3.46Å; R14-Q18 VanDerWaalsContact O-CG 3.3Å; R14-Q18 WeakPolarHBondContact O-CG 3.28Å; R14-Q18 PolarHBondContact O-N 2.74Å; R15-Q18 PolarHBondContact O-N 2.96Å; W16-Q18 VanDerWaalsContact C-N 3.33Å; W16-Q18 PolarHBondContact O-N 3.14Å; Q18-S22 WeakPolarHBondContact O-CB 3.44Å; Q18-S22 PolarHBondContact O-N 3.21Å; Q18-S22 PolarHBondContact O-OG 3.3Å; Q18-S22 VanDerWaalsContact O-OG 3.05Å |
| 19 | L | 65.9 | Low | 65.4 | Low | 82 Ų | 82 | 109 Ų | 109 | 43% | 0.429 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.3 | -43.7 | 176.1 | -166.3 | 72.4 | 0 | 0 | 0 | 111 | R15 W16 R21 S22 D23 | R15-L19 WeakPolarHBondContact O-CB 3.43Å; R15-L19 PolarHBondContact O-N 2.96Å; W16-L19 PolarHBondContact O-N 2.88Å; L19-R21 PolarHBondContact O-N 3.42Å; L19-S22 WeakPolarHBondContact CA-OG 3.45Å; L19-S22 CarbonylContact O-C 3.57Å; L19-S22 PolarHBondContact O-N 3.32Å; L19-S22 PolarHBondContact O-OG 3.06Å; L19-D23 WeakPolarHBondContact CG-OD2 3.41Å; L19-D23 VanDerWaalsContact O-CB 3.23Å; L19-D23 WeakPolarHBondContact O-CB 3.36Å; L19-D23 PolarHBondContact O-N 2.79Å |
| 20 | D | 64.6 | Low | 64.2 | Low | 99 Ų | 99 | 109.1 Ų | 109.1 | 53% | 0.529 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -58.5 | -46.1 | 175.8 | -175 | 54.5 | 0 | 0 | 0 | 111.7 | W16 S22 D23 V24 | W16-D20 VanDerWaalsContact O-CB 3.29Å; W16-D20 WeakPolarHBondContact O-CB 3.27Å; W16-D20 PolarHBondContact O-N 3.1Å; D20-S22 PolarHBondContact O-N 3.16Å; D20-D23 PolarHBondContact O-N 2.95Å; D20-V24 WeakPolarHBondContact O-CB 3.49Å; D20-V24 WeakPolarHBondContact O-CG2 3.16Å; D20-V24 PolarHBondContact O-N 3.28Å |
| 21 | R | 59.8 | Low | 63 | Low | 167 Ų | 167 | 113.8 Ų | 113.8 | 63% | 0.63 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.7 | -29.2 | 176.1 | -70.3 | 175 | -179.7 | 173.7 | 2.1 | 113.9 | N17 L19 | N17-R21 WeakPolarHBondContact O-CG 3.47Å; N17-R21 PolarHBondContact O-N 2.87Å; N17-R21 VanDerWaalsContact O-N 3.14Å; N17-R21 PolarHBondContact OD1-NE 2.81Å; N17-R21 VanDerWaalsContact OD1-NE 3.15Å; N17-R21 PolarHBondContact OD1-NH2 3.19Å; L19-R21 PolarHBondContact O-N 3.42Å |
| 22 | S | 62 | Low | 61.9 | Low | 61 Ų | 61 | 112.5 Ų | 112.5 | 43% | 0.427 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -82.5 | -29.7 | 174.9 | 61.4 | 0 | 0 | 0 | 0 | 113.3 | Q18 L19 D20 A25 V26 | Q18-S22 WeakPolarHBondContact O-CB 3.44Å; Q18-S22 PolarHBondContact O-N 3.21Å; Q18-S22 PolarHBondContact O-OG 3.3Å; Q18-S22 VanDerWaalsContact O-OG 3.05Å; L19-S22 WeakPolarHBondContact CA-OG 3.45Å; L19-S22 CarbonylContact O-C 3.57Å; L19-S22 PolarHBondContact O-N 3.32Å; L19-S22 PolarHBondContact O-OG 3.06Å; D20-S22 PolarHBondContact O-N 3.16Å; S22-A25 PolarHBondContact O-N 3.36Å; S22-V26 PolarHBondContact O-N 2.93Å |
| 23 | D | 55.9 | Low | 60.3 | Low | 93 Ų | 93 | 118 Ų | 118 | 50% | 0.497 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -80.9 | -27 | 178.4 | -82.5 | -18.2 | 0 | 0 | 0 | 111.9 | L19 D20 A25 V26 | L19-D23 WeakPolarHBondContact CG-OD2 3.41Å; L19-D23 VanDerWaalsContact O-CB 3.23Å; L19-D23 WeakPolarHBondContact O-CB 3.36Å; L19-D23 PolarHBondContact O-N 2.79Å; D20-D23 PolarHBondContact O-N 2.95Å; D23-A25 PolarHBondContact O-N 3.37Å; D23-V26 PolarHBondContact O-N 3.37Å |
| 24 | V | 57.2 | Low | 59.2 | Low | 119 Ų | 119 | 120.4 Ų | 120.4 | 72% | 0.721 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -19.7 | 167 | 171.4 | 0 | 0 | 0 | 0 | 111.8 | D20 | D20-V24 WeakPolarHBondContact O-CB 3.49Å; D20-V24 WeakPolarHBondContact O-CG2 3.16Å; D20-V24 PolarHBondContact O-N 3.28Å |
| 25 | A | 54.8 | Low | 57.7 | Low | 75 Ų | 75 | 118.8 Ų | 118.8 | 62% | 0.62 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 1.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | S22 D23 P27 | S22-A25 PolarHBondContact O-N 3.36Å; D23-A25 PolarHBondContact O-N 3.37Å; A25-P27 WeakPolarHBondContact O-CD 3.5Å |
| 26 | V | 50.8 | Low | 56.6 | Low | 86 Ų | 86 | 116.9 Ų | 116.9 | 52% | 0.521 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -72 | 107.6 | 159.1 | 179.3 | 0 | 0 | 0 | 0 | 104.6 | S22 D23 L28 | S22-V26 PolarHBondContact O-N 2.93Å; D23-V26 PolarHBondContact O-N 3.37Å; V26-L28 PolarHBondContact O-N 2.86Å |
| 27 | P | 53 | Low | 55.2 | Low | 93 Ų | 93 | 115.6 Ų | 115.6 | 60% | 0.604 | 63% | 0.633 | S | S | * | * | | | trans | -58.9 | 123.9 | 174.1 | 11.5 | -2.3 | 0 | 0 | 0 | 104.9 | A25 T29 | A25-P27 WeakPolarHBondContact O-CD 3.5Å; P27-T29 HydrophobicContact CB-CG2 4.07Å; P27-T29 HydrophobicContact CG-CG2 4.27Å; P27-T29 PolarHBondContact O-N 2.95Å |
| 28 | L | 56.1 | Low | 53.7 | Low | 145 Ų | 145 | 117.5 Ų | 117.5 | 76% | 0.759 | 65% | 0.653 | S | S | * | * | | | trans | -59.4 | 78.6 | 159.8 | -68.9 | 167.2 | 0 | 0 | 0 | 106.2 | V26 L30 | V26-L28 PolarHBondContact O-N 2.86Å; L28-L30 HydrophobicContact CD2-CD1 3.85Å; L28-L30 PolarHBondContact O-N 3.48Å |
| 29 | T | 54.4 | Low | 53 | Low | 116 Ų | 116 | 120.2 Ų | 120.2 | 71% | 0.712 | 67% | 0.665 | S | S | * | * | | | trans | -73.8 | 29 | 159.2 | 61.7 | 0 | 0 | 0 | 0 | 109.5 | P27 H31 | P27-T29 HydrophobicContact CB-CG2 4.07Å; P27-T29 HydrophobicContact CG-CG2 4.27Å; P27-T29 PolarHBondContact O-N 2.95Å; T29-H31 PolarHBondContact O-N 3.14Å |
| 30 | L | 52 | Low | 52 | Low | 135 Ų | 135 | 123.3 Ų | 123.3 | 71% | 0.707 | 68% | 0.677 | S | S | * | * | | | trans | -64.4 | 87.5 | 145.9 | -87.2 | 134.4 | 0 | 0 | 0 | 104.8 | L28 G32 | L28-L30 HydrophobicContact CD2-CD1 3.85Å; L28-L30 PolarHBondContact O-N 3.48Å; L30-G32 PolarHBondContact O-N 2.84Å |
| 31 | H | 50.2 | Low | 51.3 | Low | 161 Ų | 161 | 123.6 Ų | 123.6 | 75% | 0.745 | 69% | 0.685 | S | S | * | * | | | trans | -21.5 | 108 | 147 | -102.1 | -82.7 | 0 | 0 | 0 | 108.8 | T29 Y33 | T29-H31 PolarHBondContact O-N 3.14Å; H31-Y33 WeakPolarHBondContact O-CD2 3.23Å; H31-Y33 PolarHBondContact O-N 2.98Å |
| 32 | G | 51.1 | Low | 49.8 | Very low | 56 Ų | 56 | 119 Ų | 119 | 58% | 0.577 | 69% | 0.689 | S | S | * | * | | | trans | -56.2 | 106.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107 | L30 S34 | L30-G32 PolarHBondContact O-N 2.84Å; G32-S34 PolarHBondContact O-N 2.91Å |
| 33 | Y | 45.5 | Very low | 49 | Very low | 199 Ų | 199 | 122.6 Ų | 122.6 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 52.4 | 166.1 | -83.3 | -89 | 0 | 0 | 0 | 109.7 | H31 L36 | H31-Y33 WeakPolarHBondContact O-CD2 3.23Å; H31-Y33 PolarHBondContact O-N 2.98Å; Y33-L36 HydrophobicContact CD1-CD1 4.17Å; Y33-L36 HydrophobicContact CE1-CD1 4.33Å |
| 34 | S | 51.5 | Low | 48.1 | Very low | 111 Ų | 111 | 122.1 Ų | 122.1 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.6 | -0.2 | 174.7 | -53.4 | 0 | 0 | 0 | 0 | 112.2 | G32 | G32-S34 PolarHBondContact O-N 2.91Š|
| 35 | D | 46.7 | Very low | 46.9 | Very low | 143 Ų | 143 | 120.4 Ų | 120.4 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -100.4 | 5.5 | 175.7 | -157.5 | 47.9 | 0 | 0 | 0 | 113.1 | | |
| 36 | L | 47.4 | Very low | 46.1 | Very low | 143 Ų | 143 | 121.6 Ų | 121.6 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -104.8 | 5.1 | 179 | -68.1 | 176.2 | 0 | 0 | 0 | 114 | Y33 | Y33-L36 HydrophobicContact CD1-CD1 4.17Å; Y33-L36 HydrophobicContact CE1-CD1 4.33Å |
| 37 | D | 44.4 | Very low | 45.5 | Very low | 153 Ų | 153 | 122.2 Ų | 122.2 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -107.2 | 23.1 | 179 | -136.6 | -100.4 | 0 | 0 | 0 | 112.7 | | |
| 38 | S | 44.1 | Very low | 45 | Very low | 112 Ų | 112 | 123.4 Ų | 123.4 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | trans | -115.1 | 66.4 | 171.2 | -73 | 0 | 0 | 0 | 0 | 111.1 | | |
| 39 | E | 46.3 | Very low | 44.6 | Very low | 176 Ų | 176 | 128.3 Ų | 128.3 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | | | trans | -69.9 | 140.4 | 142.6 | -89.4 | -91.9 | 96.4 | 0 | 0 | 106.8 | | |
| 40 | E | 43.7 | Very low | 43.8 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | | | cis | -177.3 | -170.6 | 31.4 | -148.4 | -110.7 | 145.8 | 0 | 0 | 105.4 | | |
| 41 | P | 49.6 | Very low | 42.9 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | | | cis | -111 | 165.9 | -26.6 | 4.1 | 19.7 | 0 | 0 | 0 | 113.1 | | |
| 42 | G | 30.1 | Very low | 42.8 | Very low | 69 Ų | 69 | 132.9 Ų | 132.9 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | trans | 164.2 | 135.6 | 150.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 43 | P | 44.7 | Very low | 42.3 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | | | trans | -94.3 | 149.7 | -143.1 | 36.4 | -34.1 | 0 | 0 | 0 | 115.1 | | |
| 44 | G | 35.8 | Very low | 42.2 | Very low | 83 Ų | 83 | 131 Ų | 131 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | | | trans | 106.4 | 115.9 | 149.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 45 | G | 32.3 | Very low | 41.9 | Very low | 82 Ų | 82 | 130.9 Ų | 130.9 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | | | trans | 162.7 | 105.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 46 | A | 38.3 | Very low | 41.3 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | | | trans | -74.7 | 155.9 | -163.4 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 47 | A | 37.8 | Very low | 41.1 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | | | trans | 73.1 | 112.7 | 145.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 48 | S | 42.3 | Very low | 41 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | | -166.4 | 106.9 | 98.7 | -168.4 | 0 | 0 | 0 | 0 | 111 | R50 | S48-R50 PolarHBondContact O-N 2.76Š|
| 49 | R | 48.5 | Very low | 40.7 | Very low | 248 Ų | 248 | 130.2 Ų | 130.2 | 94% | 0.936 | 81% | 0.811 | S | S | * | * | | | trans | -62.9 | 119.6 | 164.3 | -88.2 | -171.2 | -94.5 | -126.9 | -3 | 109.3 | | |
| 50 | R | 37.5 | Very low | 40.8 | Very low | 249 Ų | 249 | 128 Ų | 128 | 94% | 0.94 | 81% | 0.812 | S | S | * | * | | | trans | -158.3 | 109.9 | 143.2 | -165.1 | 167.5 | -80.6 | -130.8 | 0.2 | 111.4 | S48 | S48-R50 PolarHBondContact O-N 2.76Š|
| 51 | G | 33.2 | Very low | 41 | Very low | 71 Ų | 71 | 123.4 Ų | 123.4 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | | | trans | 100.7 | 63.8 | 153.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | P53 | G51-P53 WeakPolarHBondContact O-CD 3.19Š|
| 52 | Q | 49.1 | Very low | 40.8 | Very low | 189 Ų | 189 | 129.2 Ų | 129.2 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | | | trans | -78.4 | 127.1 | 145.5 | -73.8 | -175.8 | -32.9 | 0 | 0 | 108.2 | | |
| 53 | P | 39.2 | Very low | 41.9 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | -83.2 | 114.5 | 145 | 28.8 | -24.3 | 0 | 0 | 0 | 108.2 | G51 | G51-P53 WeakPolarHBondContact O-CD 3.19Š|
| 54 | A | 43.2 | Very low | 42.6 | Very low | 87 Ų | 87 | 130.7 Ų | 130.7 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | | | trans | -66.8 | 151.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 55 | A | 45.5 | Very low | 43.9 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | | | trans | 53.5 | 82.4 | 152.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 56 | G | 34.3 | Very low | 45.5 | Very low | 66 Ų | 66 | 131 Ų | 131 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | | | trans | -129.1 | 103.5 | 144.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | R58 | G56-R58 PolarHBondContact O-N 3.38Š|
| 57 | A | 44.1 | Very low | 47.1 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 88% | 0.884 | 74% | 0.743 | S | S | * | * | | | trans | -48.2 | 108.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | D59 | A57-D59 PolarHBondContact O-N 3.09Š|
| 58 | R | 41.4 | Very low | 48.7 | Very low | 242 Ų | 242 | 127.7 Ų | 127.7 | 91% | 0.913 | 72% | 0.722 | S | S | * | * | | | trans | -68.3 | 97.6 | 171.2 | -87.8 | -168.7 | 171.6 | 163.2 | -0.5 | 105.4 | G56 | G56-R58 PolarHBondContact O-N 3.38Š|
| 59 | D | 38.4 | Very low | 50.2 | Low | 122 Ų | 122 | 129.8 Ų | 129.8 | 65% | 0.652 | 71% | 0.713 | S | S | * | * | | | trans | -39.8 | 119.1 | 167.8 | -174.8 | 4.8 | 0 | 0 | 0 | 109.2 | A57 G61 | A57-D59 PolarHBondContact O-N 3.09Å; D59-G61 PolarHBondContact O-N 3.3Å; D59-G61 PolarHBondContact OD1-N 2.9Å; D59-G61 VanDerWaalsContact OD1-N 3.1Å |
| 60 | P | 47.8 | Very low | 51.3 | Low | 129 Ų | 129 | 122.3 Ų | 122.3 | 84% | 0.838 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 0.2 | 174.6 | 25.8 | -31.6 | 0 | 0 | 0 | 112.8 | | |
| 61 | G | 48.1 | Very low | 53 | Low | 50 Ų | 50 | 116.4 Ų | 116.4 | 52% | 0.515 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.8 | 8.2 | -178 | 0 | 0 | 0 | 0 | 0 | 117.6 | D59 D63 | D59-G61 PolarHBondContact O-N 3.3Å; D59-G61 PolarHBondContact OD1-N 2.9Å; D59-G61 VanDerWaalsContact OD1-N 3.1Å; G61-D63 PolarHBondContact O-N 3.47Å |
| 62 | R | 45.4 | Very low | 55 | Low | 228 Ų | 228 | 117.9 Ų | 117.9 | 86% | 0.86 | 66% | 0.657 | S | S | * | * | | | trans | -78.2 | 72.6 | 171.2 | -161.2 | 75.8 | 172.5 | -152.8 | 0.9 | 109.6 | V64 | R62-V64 PolarHBondContact O-N 3.1Š|
| 63 | D | 53.4 | Low | 55.6 | Low | 130 Ų | 130 | 115.7 Ų | 115.7 | 70% | 0.695 | 65% | 0.645 | S | S | * | * | | | trans | -62.2 | 86.4 | 173.1 | -153.1 | -83.1 | 0 | 0 | 0 | 108.4 | G61 | G61-D63 PolarHBondContact O-N 3.47Š|
| 64 | V | 58.6 | Low | 57.3 | Low | 109 Ų | 109 | 111.2 Ų | 111.2 | 66% | 0.661 | 62% | 0.622 | S | S | * | * | | | trans | -60.2 | 125.6 | 151.4 | 176 | 0 | 0 | 0 | 0 | 104.1 | R62 L66 | R62-V64 PolarHBondContact O-N 3.1Å; V64-L66 VanDerWaalsContact C-N 3.35Å; V64-L66 PolarHBondContact O-N 3.02Å |
| 65 | P | 64 | Low | 57.5 | Low | 100 Ų | 100 | 114.9 Ų | 114.9 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | | | trans | -57.8 | 106.5 | -178.5 | 23.3 | -32.5 | 0 | 0 | 0 | 107.2 | T67 | P65-T67 PolarHBondContact O-N 2.78Š|
| 66 | L | 65.3 | Low | 57.7 | Low | 72 Ų | 72 | 120.4 Ų | 120.4 | 38% | 0.377 | 63% | 0.626 | S | S | . | * | | | trans | -59.6 | 126.5 | -177.5 | -163.6 | 67.4 | 0 | 0 | 0 | 106.1 | V64 Q70 R71 | V64-L66 VanDerWaalsContact C-N 3.35Å; V64-L66 PolarHBondContact O-N 3.02Å; L66-Q70 HydrophobicContact CD1-CB 3.51Å; L66-Q70 VanDerWaalsContact CD1-CD 3.49Å; L66-Q70 HydrophobicContact CD1-CG 4.05Å; L66-Q70 VanDerWaalsContact CD1-OE1 3.26Å; L66-Q70 HydrophobicContact CD2-CB 3.96Å; L66-Q70 HydrophobicContact CG-CB 3.4Å; L66-Q70 VanDerWaalsContact CG-CB 3.4Å; L66-Q70 HydrophobicContact CG-CG 4.43Å; L66-R71 HydrophobicContact CB-CG 4.19Å; L66-R71 HydrophobicContact CD2-CG 3.8Å; L66-R71 HydrophobicContact CG-CG 4.2Å; L66-R71 VanDerWaalsContact O-CZ 3.24Å; L66-R71 PolarHBondContact O-NH1 3.39Å |
| 67 | T | 71.9 | Confident | 58.5 | Low | 49 Ų | 49 | 122.5 Ų | 122.5 | 30% | 0.301 | 63% | 0.626 | S | S | . | * | | | trans | -54.8 | 147.9 | 177 | 55.8 | 0 | 0 | 0 | 0 | 108.5 | P65 Y69 Q70 R71 E136 | P65-T67 PolarHBondContact O-N 2.78Å; T67-Y69 PolarHBondContact O-N 3.03Å; T67-Y69 VanDerWaalsContact O-N 3.16Å; T67-Q70 VanDerWaalsContact N-OE1 3.15Å; T67-Q70 WeakPolarHBondContact O-CB 3.34Å; T67-Q70 PolarHBondContact O-N 2.8Å; T67-Q70 WeakPolarHBondContact OG1-CB 3.38Å; T67-Q70 VanDerWaalsContact OG1-CG 3.28Å; T67-Q70 WeakPolarHBondContact OG1-CG 3.3Å; T67-Q70 PolarHBondContact OG1-N 3.1Å; T67-Q70 PolarHBondContact OG1-OE1 3.27Å; T67-R71 PolarHBondContact O-N 3.39Å; T67-R71 VanDerWaalsContact O-N 3.14Å; T67-E136 VanDerWaalsContact CA-OE2 3.25Å; T67-E136 WeakPolarHBondContact CA-OE2 3.17Å; T67-E136 WeakPolarHBondContact CB-OE2 3.47Å; T67-E136 WeakPolarHBondContact CG2-OE2 3.05Å |
| 68 | Q | 71.8 | Confident | 58.6 | Low | 81 Ų | 81 | 123.3 Ų | 123.3 | 38% | 0.379 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -58 | -35.3 | -178.5 | -178.4 | 163.9 | 1.4 | 0 | 0 | 111 | Q70 R71 D72 S132 E136 | Q68-Q70 VanDerWaalsContact C-N 3.34Å; Q68-Q70 PolarHBondContact O-N 3.25Å; Q68-R71 WeakPolarHBondContact O-CB 3.2Å; Q68-R71 PolarHBondContact O-N 3.29Å; Q68-D72 WeakPolarHBondContact CG-OD2 3.43Å; Q68-D72 VanDerWaalsContact O-CG 3.25Å; Q68-D72 PolarHBondContact O-N 2.91Å; Q68-S132 PolarHBondContact OE1-OG 2.88Å; Q68-E136 VanDerWaalsContact CB-OE1 3.27Å; Q68-E136 WeakPolarHBondContact CB-OE1 3.43Å; Q68-E136 PolarHBondContact N-OE1 2.86Å; Q68-E136 PolarHBondContact N-OE2 3.27Å |
| 69 | Y | 73.6 | Confident | 58.7 | Low | 160 Ų | 160 | 120 Ų | 120 | 63% | 0.627 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -57.1 | -42.3 | 172.8 | 179.7 | -99.2 | 0 | 0 | 0 | 113.6 | T67 R71 D72 F73 | T67-Y69 PolarHBondContact O-N 3.03Å; T67-Y69 VanDerWaalsContact O-N 3.16Å; Y69-R71 VanDerWaalsContact C-N 3.31Å; Y69-R71 PolarHBondContact O-N 3.23Å; Y69-D72 PolarHBondContact O-N 3.17Å; Y69-F73 AromaticContact CD2-CD2 3.54Å; Y69-F73 HydrophobicContact CD2-CD2 3.54Å; Y69-F73 HydrophobicContact CD2-CE2 4.06Å; Y69-F73 HydrophobicContact CD2-CG 4.42Å; Y69-F73 HydrophobicContact CE2-CB 4.31Å; Y69-F73 AromaticContact CE2-CD2 3.54Å; Y69-F73 HydrophobicContact CE2-CD2 3.54Å; Y69-F73 HydrophobicContact CE2-CE2 4.1Å; Y69-F73 HydrophobicContact CE2-CG 4.05Å; Y69-F73 HydrophobicContact CG-CD2 4.32Å; Y69-F73 PolarHBondContact O-N 3.13Å |
| 70 | Q | 72.1 | Confident | 58.8 | Low | 92 Ų | 92 | 118.9 Ų | 118.9 | 43% | 0.43 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -70.9 | -25.4 | 176.8 | -81 | 169.6 | -45.1 | 0 | 0 | 112.7 | L66 T67 Q68 G74 | L66-Q70 HydrophobicContact CD1-CB 3.51Å; L66-Q70 VanDerWaalsContact CD1-CD 3.49Å; L66-Q70 HydrophobicContact CD1-CG 4.05Å; L66-Q70 VanDerWaalsContact CD1-OE1 3.26Å; L66-Q70 HydrophobicContact CD2-CB 3.96Å; L66-Q70 HydrophobicContact CG-CB 3.4Å; L66-Q70 VanDerWaalsContact CG-CB 3.4Å; L66-Q70 HydrophobicContact CG-CG 4.43Å; T67-Q70 VanDerWaalsContact N-OE1 3.15Å; T67-Q70 WeakPolarHBondContact O-CB 3.34Å; T67-Q70 PolarHBondContact O-N 2.8Å; T67-Q70 WeakPolarHBondContact OG1-CB 3.38Å; T67-Q70 VanDerWaalsContact OG1-CG 3.28Å; T67-Q70 WeakPolarHBondContact OG1-CG 3.3Å; T67-Q70 PolarHBondContact OG1-N 3.1Å; T67-Q70 PolarHBondContact OG1-OE1 3.27Å; Q68-Q70 VanDerWaalsContact C-N 3.34Å; Q68-Q70 PolarHBondContact O-N 3.25Å; Q70-G74 WeakPolarHBondContact O-CA 3.45Å; Q70-G74 PolarHBondContact O-N 3.03Å |
| 71 | R | 73.6 | Confident | 58.2 | Low | 125 Ų | 125 | 115.2 Ų | 115.2 | 47% | 0.472 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -73.1 | -38.4 | 169.7 | -69.8 | -170.9 | -179.8 | 99.1 | 6.5 | 112 | L66 T67 Q68 Y69 | L66-R71 HydrophobicContact CB-CG 4.19Å; L66-R71 HydrophobicContact CD2-CG 3.8Å; L66-R71 HydrophobicContact CG-CG 4.2Å; L66-R71 VanDerWaalsContact O-CZ 3.24Å; L66-R71 PolarHBondContact O-NH1 3.39Å; T67-R71 PolarHBondContact O-N 3.39Å; T67-R71 VanDerWaalsContact O-N 3.14Å; Q68-R71 WeakPolarHBondContact O-CB 3.2Å; Q68-R71 PolarHBondContact O-N 3.29Å; Y69-R71 VanDerWaalsContact C-N 3.31Å; Y69-R71 PolarHBondContact O-N 3.23Å |
| 72 | D | 74 | Confident | 58.1 | Low | 102 Ų | 102 | 119 Ų | 119 | 55% | 0.545 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -81 | -31.9 | -174.4 | -65.9 | -17.6 | 0 | 0 | 0 | 112.7 | Q68 Y69 | Q68-D72 WeakPolarHBondContact CG-OD2 3.43Å; Q68-D72 VanDerWaalsContact O-CG 3.25Å; Q68-D72 PolarHBondContact O-N 2.91Å; Y69-D72 PolarHBondContact O-N 3.17Å |
| 73 | F | 62.9 | Low | 57.6 | Low | 143 Ų | 143 | 117.7 Ų | 117.7 | 63% | 0.627 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -127.7 | 0.7 | -173.8 | -61 | -82.4 | 0 | 0 | 0 | 114.5 | Y69 L75 | Y69-F73 AromaticContact CD2-CD2 3.54Å; Y69-F73 HydrophobicContact CD2-CD2 3.54Å; Y69-F73 HydrophobicContact CD2-CE2 4.06Å; Y69-F73 HydrophobicContact CD2-CG 4.42Å; Y69-F73 HydrophobicContact CE2-CB 4.31Å; Y69-F73 AromaticContact CE2-CD2 3.54Å; Y69-F73 HydrophobicContact CE2-CD2 3.54Å; Y69-F73 HydrophobicContact CE2-CE2 4.1Å; Y69-F73 HydrophobicContact CE2-CG 4.05Å; Y69-F73 HydrophobicContact CG-CD2 4.32Å; Y69-F73 PolarHBondContact O-N 3.13Å; F73-L75 PolarHBondContact O-N 2.9Å |
| 74 | G | 73.7 | Confident | 57 | Low | 33 Ų | 33 | 118.2 Ų | 118.2 | 34% | 0.34 | 63% | 0.627 | S | S | . | * | | | trans | -63.5 | 123.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q70 W76 | Q70-G74 WeakPolarHBondContact O-CA 3.45Å; Q70-G74 PolarHBondContact O-N 3.03Å; G74-W76 PolarHBondContact O-N 2.92Å |
| 75 | L | 47.9 | Very low | 56 | Low | 164 Ų | 164 | 121.6 Ų | 121.6 | 86% | 0.859 | 64% | 0.636 | S | S | * | * | | | trans | -59.7 | 110.3 | 166.5 | -77.9 | 143.1 | 0 | 0 | 0 | 107.4 | F73 T77 | F73-L75 PolarHBondContact O-N 2.9Å; L75-T77 VanDerWaalsContact C-N 3.29Å; L75-T77 PolarHBondContact O-N 3.05Å |
| 76 | W | 50.3 | Low | 54.7 | Low | 224 Ų | 224 | 125.5 Ų | 125.5 | 85% | 0.848 | 65% | 0.645 | S | S | * | * | | | trans | -59.6 | 96.5 | 170.1 | -61.5 | 90.9 | 0 | 0 | 0 | 107.6 | G74 T78 | G74-W76 PolarHBondContact O-N 2.92Å; W76-T78 PolarHBondContact O-N 2.82Å |
| 77 | T | 50.5 | Low | 53.7 | Low | 111 Ų | 111 | 127.8 Ų | 127.8 | 68% | 0.681 | 67% | 0.665 | S | S | * | * | | | trans | -67.2 | 93 | 162.7 | 55 | 0 | 0 | 0 | 0 | 104.9 | L75 H79 | L75-T77 VanDerWaalsContact C-N 3.29Å; L75-T77 PolarHBondContact O-N 3.05Å; T77-H79 PolarHBondContact O-N 3.2Å |
| 78 | T | 45.7 | Very low | 51.7 | Low | 123 Ų | 123 | 128.6 Ų | 128.6 | 76% | 0.755 | 68% | 0.683 | S | S | * | * | | | trans | -46.4 | 111.3 | 163.6 | 45.6 | 0 | 0 | 0 | 0 | 106 | W76 A80 | W76-T78 PolarHBondContact O-N 2.82Å; T78-A80 PolarHBondContact O-N 3.15Å |
| 79 | H | 44.3 | Very low | 50 | Low | 174 Ų | 174 | 136.7 Ų | 136.7 | 81% | 0.806 | 71% | 0.71 | S | S | * | * | | | trans | -58.5 | 98.5 | 168.8 | -73.1 | -85.1 | 0 | 0 | 0 | 106.1 | T77 G81 | T77-H79 PolarHBondContact O-N 3.2Å; H79-G81 PolarHBondContact O-N 3Å |
| 80 | A | 39.6 | Very low | 48.1 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 80% | 0.802 | 72% | 0.715 | S | S | * | * | | | trans | -67.6 | 84.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | T78 | T78-A80 PolarHBondContact O-N 3.15Š|
| 81 | G | 34.8 | Very low | 46.8 | Very low | 53 Ų | 53 | 134.4 Ų | 134.4 | 55% | 0.546 | 74% | 0.735 | S | S | . | * | | | trans | -62.7 | 140.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | H79 K83 | H79-G81 PolarHBondContact O-N 3Å; G81-K83 PolarHBondContact O-N 2.66Å |
| 82 | P | 46.8 | Very low | 44.9 | Very low | 130 Ų | 130 | 132 Ų | 132 | 84% | 0.844 | 75% | 0.749 | S | S | * | * | | | trans | -68.5 | 103.8 | 176.1 | 27.8 | -30 | 0 | 0 | 0 | 107.7 | | |
| 83 | K | 34.8 | Very low | 43.1 | Very low | 199 Ų | 199 | 132.2 Ų | 132.2 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | | | trans | -106.5 | 82.5 | 173 | -165.4 | 172.9 | -177.7 | 178.3 | 0 | 108.4 | G81 | G81-K83 PolarHBondContact O-N 2.66Š|
| 84 | D | 41.8 | Very low | 41.7 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | | | trans | -56.7 | 150.2 | 157.1 | -81.1 | -47.3 | 0 | 0 | 0 | 110.1 | | |
| 85 | Q | 36.1 | Very low | 39.8 | Very low | 181 Ų | 181 | 131.9 Ų | 131.9 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | 95.3 | 84.6 | 174.9 | -54.9 | 176.8 | 48.7 | 0 | 0 | 116 | | |
| 86 | Q | 37.7 | Very low | 39.6 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | | | trans | -81.4 | 137.4 | 133.3 | -147.3 | -156.9 | -27.2 | 0 | 0 | 107.5 | | |
| 87 | P | 43.4 | Very low | 39.1 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | | | | -147.2 | 152.5 | 99 | 36 | -19.6 | 0 | 0 | 0 | 113.1 | | |
| 88 | G | 30.6 | Very low | 38.4 | Very low | 66 Ų | 66 | 136.8 Ų | 136.8 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | | | trans | 160.7 | 74.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 89 | R | 35.9 | Very low | 37.8 | Very low | 251 Ų | 251 | 140.1 Ų | 140.1 | 95% | 0.947 | 82% | 0.818 | S | S | * | * | | | trans | -15.5 | 135.1 | 153 | -173.7 | 161.8 | -178 | 179.5 | -1.4 | 119 | | |
| 90 | G | 33.1 | Very low | 37.6 | Very low | 71 Ų | 71 | 136.6 Ų | 136.6 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | | | trans | 163.6 | 117.3 | 147.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 91 | P | 46.3 | Very low | 37.5 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | | | trans | -101.2 | 140.6 | 170.9 | 35.7 | -26.1 | 0 | 0 | 0 | 112 | | |
| 92 | G | 33.1 | Very low | 37.6 | Very low | 73 Ų | 73 | 139.5 Ų | 139.5 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | | | trans | -179.9 | 111.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 93 | A | 35.2 | Very low | 37.3 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 88% | 0.884 | 83% | 0.826 | S | S | * | * | | | | 105.4 | 121.7 | 76.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 94 | G | 33.3 | Very low | 37.4 | Very low | 89 Ų | 89 | 138.3 Ų | 138.3 | 92% | 0.918 | 82% | 0.823 | S | S | * | * | | | trans | -75.3 | 164.1 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 95 | G | 34 | Very low | 37.6 | Very low | 81 Ų | 81 | 137.6 Ų | 137.6 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | | | trans | -151.4 | 109.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 96 | R | 43.5 | Very low | 38.1 | Very low | 252 Ų | 252 | 132.5 Ų | 132.5 | 95% | 0.951 | 82% | 0.818 | S | S | * | * | | | trans | -81.5 | 142.1 | 165.2 | -67.8 | -179.9 | 176.3 | -108.3 | 1.6 | 108.5 | | |
| 97 | R | 39.7 | Very low | 38.8 | Very low | 239 Ų | 239 | 129.4 Ų | 129.4 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | | | | 160.9 | 104.6 | 125.8 | -163.8 | 169.5 | -153.4 | -179.5 | 3.6 | 113.2 | | |
| 98 | S | 36.2 | Very low | 39 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | | | trans | 33.4 | 130.8 | 138.6 | -49.2 | 0 | 0 | 0 | 0 | 124.1 | | |
| 99 | K | 33.5 | Very low | 39.6 | Very low | 192 Ų | 192 | 130.6 Ų | 130.6 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | | 108.5 | 96.6 | 126.7 | -138.3 | 157.7 | -173.3 | 176.1 | 0 | 118.3 | | |
| 100 | S | 41.2 | Very low | 40.2 | Very low | 100 Ų | 100 | 125.4 Ų | 125.4 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | | | trans | 25.5 | 112.8 | 140.2 | 59.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 101 | S | 37.1 | Very low | 41.1 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | | | | 169.9 | 99.4 | 129.8 | 43.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 102 | A | 36.3 | Very low | 41.1 | Very low | 91 Ų | 91 | 123.3 Ų | 123.3 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 179.7 | 95.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | S104 | A102-S104 PolarHBondContact O-N 2.94Š|
| 103 | Q | 40.6 | Very low | 42 | Very low | 189 Ų | 189 | 131.7 Ų | 131.7 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | | | trans | 30.7 | 95.3 | 138.6 | -69.8 | 157.8 | -1.2 | 0 | 0 | 115.7 | S105 | Q103-S105 PolarHBondContact O-N 3.18Š|
| 104 | S | 35.8 | Very low | 42.8 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | -52.3 | 99.9 | 165.5 | 51.5 | 0 | 0 | 0 | 0 | 111.4 | A102 A106 | A102-S104 PolarHBondContact O-N 2.94Å; S104-A106 PolarHBondContact O-N 3.21Å |
| 105 | S | 47.2 | Very low | 43.8 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | | | trans | -84 | 67.2 | 153.2 | 42.5 | 0 | 0 | 0 | 0 | 108.2 | Q103 | Q103-S105 PolarHBondContact O-N 3.18Š|
| 106 | A | 47 | Very low | 44.4 | Very low | 73 Ų | 73 | 137.2 Ų | 137.2 | 60% | 0.603 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 137.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108 | S104 | S104-A106 PolarHBondContact O-N 3.21Š|
| 107 | P | 51.8 | Low | 45.4 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 142.3 | 176 | 27 | -32.7 | 0 | 0 | 0 | 109.4 | A109 | P107-A109 PolarHBondContact O-N 3.44Š|
| 108 | P | 48.3 | Very low | 46.2 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 124.7 | 179.7 | 25.4 | -31.1 | 0 | 0 | 0 | 109.4 | | |
| 109 | A | 43.4 | Very low | 47.2 | Very low | 82 Ų | 82 | 126.6 Ų | 126.6 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 143.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P107 G111 | P107-A109 PolarHBondContact O-N 3.44Å; A109-G111 PolarHBondContact O-N 3.09Å |
| 110 | P | 47.2 | Very low | 48.1 | Very low | 142 Ų | 142 | 125.4 Ų | 125.4 | 92% | 0.922 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 77.9 | 177.9 | 31.7 | -33.3 | 0 | 0 | 0 | 109.3 | | |
| 111 | G | 52.4 | Low | 48.5 | Very low | 59 Ų | 59 | 123.5 Ų | 123.5 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.8 | 0.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A109 R113 | A109-G111 PolarHBondContact O-N 3.09Å; G111-R113 PolarHBondContact O-N 3.37Å |
| 112 | A | 45.7 | Very low | 49.2 | Very low | 102 Ų | 102 | 126 Ų | 126 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | | | trans | -75.2 | 96 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | G114 | A112-G114 VanDerWaalsContact C-N 3.25Å; A112-G114 PolarHBondContact O-N 2.78Å |
| 113 | R | 52.4 | Low | 49.6 | Very low | 248 Ų | 248 | 126.3 Ų | 126.3 | 94% | 0.936 | 78% | 0.779 | S | S | * | * | | | trans | -59.5 | 84.6 | 173.5 | -68.1 | -176.5 | 171.3 | -176.8 | -2.7 | 110.3 | G111 V115 | G111-R113 PolarHBondContact O-N 3.37Å; R113-V115 PolarHBondContact O-N 2.97Å |
| 114 | G | 52.3 | Low | 49.9 | Very low | 53 Ų | 53 | 124.5 Ų | 124.5 | 55% | 0.546 | 78% | 0.775 | S | S | . | * | | | trans | -68 | 120.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | A112 Y116 | A112-G114 VanDerWaalsContact C-N 3.25Å; A112-G114 PolarHBondContact O-N 2.78Å; G114-Y116 PolarHBondContact O-N 3.42Å; G114-Y116 VanDerWaalsContact O-N 3.1Å |
| 115 | V | 54.5 | Low | 50.7 | Low | 127 Ų | 127 | 124.1 Ų | 124.1 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | | | trans | -62.6 | 110.8 | 169.4 | 178 | 0 | 0 | 0 | 0 | 106.7 | R113 V117 | R113-V115 PolarHBondContact O-N 2.97Å; V115-V117 VanDerWaalsContact C-N 3.32Å; V115-V117 HydrophobicContact CG1-CG2 4.02Å; V115-V117 PolarHBondContact O-N 2.92Å |
| 116 | Y | 47.1 | Very low | 50.9 | Low | 213 Ų | 213 | 124.3 Ų | 124.3 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | | | trans | -67.3 | 94.3 | 170.9 | -67.7 | -83.1 | 0 | 0 | 0 | 108.2 | G114 L118 | G114-Y116 PolarHBondContact O-N 3.42Å; G114-Y116 VanDerWaalsContact O-N 3.1Å; Y116-L118 PolarHBondContact O-N 3.39Å |
| 117 | V | 63.2 | Low | 51.2 | Low | 120 Ų | 120 | 124.4 Ų | 124.4 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | -80.1 | 103.6 | 168 | -177.7 | 0 | 0 | 0 | 0 | 106.6 | V115 | V115-V117 VanDerWaalsContact C-N 3.32Å; V115-V117 HydrophobicContact CG1-CG2 4.02Å; V115-V117 PolarHBondContact O-N 2.92Å |
| 118 | L | 57.5 | Low | 51.1 | Low | 132 Ų | 132 | 123 Ų | 123 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | trans | -63.5 | 126.2 | 166.7 | -107.5 | 68.9 | 0 | 0 | 0 | 107.9 | Y116 I120 | Y116-L118 PolarHBondContact O-N 3.39Å; L118-I120 PolarHBondContact O-N 3.08Å; L118-I120 VanDerWaalsContact O-N 3.09Å |
| 119 | P | 57.1 | Low | 51.4 | Low | 127 Ų | 127 | 121.7 Ų | 121.7 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | -63.8 | 115.3 | 170.5 | 25.2 | -30.2 | 0 | 0 | 0 | 108.2 | | |
| 120 | I | 52.4 | Low | 52 | Low | 168 Ų | 168 | 120.8 Ų | 120.8 | 86% | 0.862 | 77% | 0.768 | S | S | * | * | | | trans | -90.8 | 117.4 | 173.6 | -70.4 | 155.7 | 0 | 0 | 0 | 106.7 | L118 | L118-I120 PolarHBondContact O-N 3.08Å; L118-I120 VanDerWaalsContact O-N 3.09Å |
| 121 | G | 48.6 | Very low | 52.7 | Low | 59 Ų | 59 | 118.3 Ų | 118.3 | 61% | 0.608 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 100.5 | 110.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 122 | D | 51.6 | Low | 53.4 | Low | 175 Ų | 175 | 117.5 Ų | 117.5 | 94% | 0.936 | 74% | 0.735 | S | S | * | * | | | trans | 51.1 | 70.8 | 146.4 | -50.4 | -34.6 | 0 | 0 | 0 | 117.3 | | |
| 123 | A | 45.3 | Very low | 54.2 | Low | 96 Ų | 96 | 120.1 Ų | 120.1 | 79% | 0.793 | 72% | 0.724 | S | S | * | * | | | trans | -120.3 | 123.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 124 | D | 46.2 | Very low | 54.7 | Low | 151 Ų | 151 | 117.3 Ų | 117.3 | 81% | 0.807 | 71% | 0.713 | S | S | * | * | | | trans | -41.7 | 149.8 | 176.7 | -78.3 | -56.5 | 0 | 0 | 0 | 113.1 | T126 | D124-T126 PolarHBondContact O-N 2.97Š|
| 125 | A | 52.7 | Low | 55.4 | Low | 107 Ų | 107 | 120.8 Ų | 120.8 | 88% | 0.884 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -63.3 | 49.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 126 | T | 51.7 | Low | 56.5 | Low | 131 Ų | 131 | 118.4 Ų | 118.4 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -136.6 | 88.7 | 174.2 | 42.1 | 0 | 0 | 0 | 0 | 108.5 | D124 | D124-T126 PolarHBondContact O-N 2.97Š|
| 127 | G | 54.6 | Low | 57.4 | Low | 75 Ų | 75 | 114.7 Ų | 114.7 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | | | trans | 106.9 | 26.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | A129 | G127-A129 PolarHBondContact O-N 3.13Š|
| 128 | A | 48.2 | Very low | 57.8 | Low | 88 Ų | 88 | 116.1 Ų | 116.1 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | | | trans | -58.6 | 111.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | T130 | A128-T130 PolarHBondContact O-N 3.33Š|
| 129 | A | 55 | Low | 58.5 | Low | 101 Ų | 101 | 113.7 Ų | 113.7 | 84% | 0.835 | 68% | 0.682 | S | S | * | * | | | trans | -62.4 | 84.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | G127 T131 | G127-A129 PolarHBondContact O-N 3.13Å; A129-T131 PolarHBondContact O-N 3.47Å; A129-T131 VanDerWaalsContact O-N 3.1Å |
| 130 | T | 55.7 | Low | 58.5 | Low | 63 Ų | 63 | 119.1 Ų | 119.1 | 39% | 0.387 | 69% | 0.686 | S | S | . | * | | | trans | -61.7 | 115.8 | 172.5 | 47.7 | 0 | 0 | 0 | 0 | 105.7 | A128 S132 R134 Q135 | A128-T130 PolarHBondContact O-N 3.33Å; T130-S132 PolarHBondContact O-N 2.95Å; T130-R134 HydrophobicContact CG2-CB 4.34Å; T130-Q135 WeakPolarHBondContact OG1-CG 3.47Å; T130-Q135 PolarHBondContact OG1-NE2 2.95Å |
| 131 | T | 62.7 | Low | 59.4 | Low | 90 Ų | 90 | 117.7 Ų | 117.7 | 55% | 0.552 | 69% | 0.686 | S | S | * | * | | | trans | -48.5 | 139.2 | 164.3 | 59.3 | 0 | 0 | 0 | 0 | 107.5 | A129 Y133 R134 | A129-T131 PolarHBondContact O-N 3.47Å; A129-T131 VanDerWaalsContact O-N 3.1Å; T131-Y133 PolarHBondContact O-N 2.83Å; T131-R134 WeakPolarHBondContact O-CB 3.35Å; T131-R134 PolarHBondContact O-N 3.02Å |
| 132 | S | 65.8 | Low | 60 | Low | 42 Ų | 42 | 118.2 Ų | 118.2 | 29% | 0.294 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -48.9 | -34.1 | -173.8 | 49.3 | 0 | 0 | 0 | 0 | 113 | Q68 T130 R134 Q135 E136 | Q68-S132 PolarHBondContact OE1-OG 2.88Å; T130-S132 PolarHBondContact O-N 2.95Å; S132-R134 PolarHBondContact O-N 3.47Å; S132-R134 VanDerWaalsContact O-N 3.14Å; S132-Q135 PolarHBondContact O-N 3.43Å; S132-E136 WeakPolarHBondContact O-CG 3.29Å; S132-E136 PolarHBondContact O-N 3.48Å |
| 133 | Y | 64.4 | Low | 60.3 | Low | 157 Ų | 157 | 115.8 Ų | 115.8 | 62% | 0.616 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -49.1 | -37.5 | 171.3 | -172.9 | -102.4 | 0 | 0 | 0 | 115.2 | T131 F137 | T131-Y133 PolarHBondContact O-N 2.83Å; Y133-F137 HydrophobicContact CD2-CD2 4.29Å; Y133-F137 HydrophobicContact CD2-CE2 4.24Å; Y133-F137 HydrophobicContact CE2-CD2 4.01Å; Y133-F137 AromaticContact CE2-CE2 3.82Å; Y133-F137 HydrophobicContact CE2-CE2 3.82Å |
| 134 | R | 62.6 | Low | 61.2 | Low | 188 Ų | 188 | 120.3 Ų | 120.3 | 71% | 0.709 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -78.1 | -18.6 | 179.5 | -74.3 | -81 | -172.2 | -165.8 | -0.4 | 113.4 | T130 T131 S132 | T130-R134 HydrophobicContact CG2-CB 4.34Å; T131-R134 WeakPolarHBondContact O-CB 3.35Å; T131-R134 PolarHBondContact O-N 3.02Å; S132-R134 PolarHBondContact O-N 3.47Å; S132-R134 VanDerWaalsContact O-N 3.14Å |
| 135 | Q | 66.6 | Low | 61.9 | Low | 127 Ų | 127 | 118.8 Ų | 118.8 | 59% | 0.593 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -88.5 | -32.8 | 179.6 | -70.2 | -179.7 | -11.2 | 0 | 0 | 112.3 | T130 S132 | T130-Q135 WeakPolarHBondContact OG1-CG 3.47Å; T130-Q135 PolarHBondContact OG1-NE2 2.95Å; S132-Q135 PolarHBondContact O-N 3.43Å |
| 136 | E | 78.6 | Confident | 62.5 | Low | 77 Ų | 77 | 119.2 Ų | 119.2 | 36% | 0.36 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -79.8 | -25.5 | -174.9 | -61.4 | 177.1 | -140.2 | 0 | 0 | 112.8 | T67 Q68 S132 | T67-E136 VanDerWaalsContact CA-OE2 3.25Å; T67-E136 WeakPolarHBondContact CA-OE2 3.17Å; T67-E136 WeakPolarHBondContact CB-OE2 3.47Å; T67-E136 WeakPolarHBondContact CG2-OE2 3.05Å; Q68-E136 VanDerWaalsContact CB-OE1 3.27Å; Q68-E136 WeakPolarHBondContact CB-OE1 3.43Å; Q68-E136 PolarHBondContact N-OE1 2.86Å; Q68-E136 PolarHBondContact N-OE2 3.27Å; S132-E136 WeakPolarHBondContact O-CG 3.29Å; S132-E136 PolarHBondContact O-N 3.48Å |
| 137 | F | 65.3 | Low | 63.1 | Low | 134 Ų | 134 | 124.5 Ų | 124.5 | 59% | 0.588 | 68% | 0.684 | S | S | * | * | | | trans | -102.9 | 102 | 179.8 | -76.9 | -86.8 | 0 | 0 | 0 | 111.8 | Y133 | Y133-F137 HydrophobicContact CD2-CD2 4.29Å; Y133-F137 HydrophobicContact CD2-CE2 4.24Å; Y133-F137 HydrophobicContact CE2-CD2 4.01Å; Y133-F137 AromaticContact CE2-CE2 3.82Å; Y133-F137 HydrophobicContact CE2-CE2 3.82Å |
| 138 | Q | 71.3 | Confident | 63.6 | Low | 151 Ų | 151 | 126.3 Ų | 126.3 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | | | trans | -84.6 | 137.3 | 167.1 | -66 | -63.5 | -19.4 | 0 | 0 | 110.2 | W140 | Q138-W140 PolarHBondContact O-N 2.91Š|
| 139 | A | 71.9 | Confident | 64 | Low | 81 Ų | 81 | 128.7 Ų | 128.7 | 67% | 0.669 | 69% | 0.691 | S | S | * | * | | | trans | -60.6 | 134.7 | 172 | 0 | 0 | 0 | 0 | 0 | 109 | T141 | A139-T141 WeakPolarHBondContact O-CG2 3.41Å; A139-T141 PolarHBondContact O-N 2.94Å |
| 140 | W | 58 | Low | 64.4 | Low | 240 Ų | 240 | 133.4 Ų | 133.4 | 91% | 0.909 | 69% | 0.693 | S | S | * | * | | | trans | -68.7 | 95.2 | -179.2 | -69.8 | 27.7 | 0 | 0 | 0 | 109.3 | Q138 G142 | Q138-W140 PolarHBondContact O-N 2.91Å; W140-G142 VanDerWaalsContact C-N 3.25Å; W140-G142 PolarHBondContact O-N 3.05Å |
| 141 | T | 70.3 | Confident | 64.9 | Low | 139 Ų | 139 | 134.6 Ų | 134.6 | 85% | 0.853 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 5.2 | -175.6 | 54.9 | 0 | 0 | 0 | 0 | 114 | A139 | A139-T141 WeakPolarHBondContact O-CG2 3.41Å; A139-T141 PolarHBondContact O-N 2.94Å |
| 142 | G | 62 | Low | 65.4 | Low | 70 Ų | 70 | 139.5 Ų | 139.5 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -6.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | W140 K144 | W140-G142 VanDerWaalsContact C-N 3.25Å; W140-G142 PolarHBondContact O-N 3.05Å; G142-K144 PolarHBondContact O-N 3.18Å |
| 143 | V | 58.2 | Low | 65.3 | Low | 124 Ų | 124 | 143.5 Ų | 143.5 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | trans | -87.3 | 100.5 | -177.3 | -173.6 | 0 | 0 | 0 | 0 | 109.7 | P145 | V143-P145 WeakPolarHBondContact O-CD 3.34Š|
| 144 | K | 62.8 | Low | 65.3 | Low | 190 Ų | 190 | 140.5 Ų | 140.5 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 124.8 | 169.8 | -73.6 | 168 | 177.8 | 168 | 0 | 108.7 | G142 S146 | G142-K144 PolarHBondContact O-N 3.18Å; K144-S146 PolarHBondContact O-N 2.99Å |
| 145 | P | 62.8 | Low | 65.3 | Low | 120 Ų | 120 | 142.1 Ų | 142.1 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 131.2 | 169.7 | -23.1 | 32.5 | 0 | 0 | 0 | 108.9 | V143 R147 | V143-P145 WeakPolarHBondContact O-CD 3.34Å; P145-R147 PolarHBondContact O-N 3.46Å |
| 146 | S | 65.2 | Low | 65 | Low | 115 Ų | 115 | 141.9 Ų | 141.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 137.3 | 175.1 | 52.7 | 0 | 0 | 0 | 0 | 109.1 | K144 S148 | K144-S146 PolarHBondContact O-N 2.99Å; S146-S148 PolarHBondContact O-N 3.46Å |
| 147 | R | 62.6 | Low | 64.1 | Low | 242 Ų | 242 | 144.1 Ų | 144.1 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 129.5 | -178.4 | -61.4 | -170.5 | -168.3 | -158.7 | 4.7 | 108.5 | P145 T149 | P145-R147 PolarHBondContact O-N 3.46Å; R147-T149 PolarHBondContact O-N 3.14Å |
| 148 | S | 65.8 | Low | 63.7 | Low | 114 Ų | 114 | 143 Ų | 143 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | -58.6 | 111.7 | -179.8 | 58.2 | 0 | 0 | 0 | 0 | 110.1 | S146 K150 | S146-S148 PolarHBondContact O-N 3.46Å; S148-K150 PolarHBondContact O-N 2.72Å; S148-K150 VanDerWaalsContact O-N 3.1Å |
| 149 | T | 56.6 | Low | 62.8 | Low | 138 Ų | 138 | 141.2 Ų | 141.2 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | | | trans | -66.6 | 108.8 | 166.6 | -69.3 | 0 | 0 | 0 | 0 | 107.5 | R147 A151 | R147-T149 PolarHBondContact O-N 3.14Å; T149-A151 PolarHBondContact O-N 2.97Å |
| 150 | K | 62.6 | Low | 61.9 | Low | 200 Ų | 200 | 145.1 Ų | 145.1 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | | | trans | -57.7 | 100.7 | 177.2 | -175.2 | 175.4 | -177.6 | 175 | 0 | 109.2 | S148 K152 | S148-K150 PolarHBondContact O-N 2.72Å; S148-K150 VanDerWaalsContact O-N 3.1Å; K150-K152 PolarHBondContact O-N 3.44Å |
| 151 | A | 66.6 | Low | 61.6 | Low | 87 Ų | 87 | 139.9 Ų | 139.9 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 125.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109 | T149 | T149-A151 PolarHBondContact O-N 2.97Š|
| 152 | K | 73.2 | Confident | 60.8 | Low | 193 Ų | 193 | 138.5 Ų | 138.5 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 133.1 | 170.8 | -68.2 | 178.6 | 178.1 | 178.7 | 0 | 108 | K150 A154 | K150-K152 PolarHBondContact O-N 3.44Å; K152-A154 PolarHBondContact O-N 3.33Å; K152-A154 VanDerWaalsContact O-N 3.13Å |
| 153 | P | 65.3 | Low | 60.2 | Low | 127 Ų | 127 | 138.7 Ų | 138.7 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 117.7 | 172.4 | 26 | -31.7 | 0 | 0 | 0 | 108.9 | R155 | P153-R155 PolarHBondContact O-N 3.29Å; P153-R155 VanDerWaalsContact O-N 3.17Å |
| 154 | A | 63.3 | Low | 59.5 | Low | 93 Ų | 93 | 144 Ų | 144 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -71.3 | 105.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | K152 V156 | K152-A154 PolarHBondContact O-N 3.33Å; K152-A154 VanDerWaalsContact O-N 3.13Å; A154-V156 PolarHBondContact O-N 3.39Å; A154-V156 VanDerWaalsContact O-N 3.15Å |
| 155 | R | 61.8 | Low | 58.3 | Low | 223 Ų | 223 | 142.1 Ų | 142.1 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | | | trans | -68.4 | 107.9 | 172.8 | -175.3 | 179 | -175.7 | -179.7 | 1.1 | 108 | P153 I157 | P153-R155 PolarHBondContact O-N 3.29Å; P153-R155 VanDerWaalsContact O-N 3.17Å; R155-I157 HydrophobicContact CG-CG1 4.42Å; R155-I157 PolarHBondContact O-N 3.25Å |
| 156 | V | 61.1 | Low | 57.3 | Low | 121 Ų | 121 | 140.7 Ų | 140.7 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | trans | -69.7 | 109.3 | 168.6 | 179.9 | 0 | 0 | 0 | 0 | 107.2 | A154 T158 | A154-V156 PolarHBondContact O-N 3.39Å; A154-V156 VanDerWaalsContact O-N 3.15Å; V156-T158 PolarHBondContact O-N 2.92Å |
| 157 | I | 60.2 | Low | 56.2 | Low | 125 Ų | 125 | 140.2 Ų | 140.2 | 64% | 0.641 | 78% | 0.776 | S | S | * | * | | | trans | -87.3 | 99.2 | 167.2 | -58.1 | 175.9 | 0 | 0 | 0 | 106 | R155 T159 | R155-I157 HydrophobicContact CG-CG1 4.42Å; R155-I157 PolarHBondContact O-N 3.25Å; I157-T159 VanDerWaalsContact C-N 3.35Å; I157-T159 HydrophobicContact CG2-CG2 4.29Å; I157-T159 PolarHBondContact O-N 3.2Å; I157-T159 VanDerWaalsContact O-N 3.08Å |
| 158 | T | 56.1 | Low | 55.7 | Low | 110 Ų | 110 | 135.1 Ų | 135.1 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | | | trans | -73.7 | 91.6 | 167.2 | -63.5 | 0 | 0 | 0 | 0 | 108 | V156 H160 | V156-T158 PolarHBondContact O-N 2.92Å; T158-H160 PolarHBondContact O-N 3.18Å |
| 159 | T | 52.5 | Low | 54.8 | Low | 113 Ų | 113 | 133.3 Ų | 133.3 | 69% | 0.693 | 77% | 0.774 | S | S | * | * | | | trans | -70.9 | 99.8 | 161.8 | 35.1 | 0 | 0 | 0 | 0 | 108.4 | I157 T161 | I157-T159 VanDerWaalsContact C-N 3.35Å; I157-T159 HydrophobicContact CG2-CG2 4.29Å; I157-T159 PolarHBondContact O-N 3.2Å; I157-T159 VanDerWaalsContact O-N 3.08Å; T159-T161 PolarHBondContact O-N 3.15Å |
| 160 | H | 52.8 | Low | 54 | Low | 163 Ų | 163 | 131.6 Ų | 131.6 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | -78.5 | 92.4 | 170.1 | -143.5 | -100.7 | 0 | 0 | 0 | 107.8 | T158 S162 | T158-H160 PolarHBondContact O-N 3.18Å; H160-S162 VanDerWaalsContact C-N 3.32Å; H160-S162 PolarHBondContact O-N 3.43Å |
| 161 | T | 52.5 | Low | 52.9 | Low | 131 Ų | 131 | 125.7 Ų | 125.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -83.5 | 84.8 | 167.4 | 64.7 | 0 | 0 | 0 | 0 | 107.8 | T159 G163 | T159-T161 PolarHBondContact O-N 3.15Å; T161-G163 PolarHBondContact O-N 3.27Å |
| 162 | S | 52.1 | Low | 51.8 | Low | 109 Ų | 109 | 130.2 Ų | 130.2 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | -69.3 | 108.9 | 164.7 | 50.5 | 0 | 0 | 0 | 0 | 108.5 | H160 | H160-S162 VanDerWaalsContact C-N 3.32Å; H160-S162 PolarHBondContact O-N 3.43Å |
| 163 | G | 49.1 | Very low | 50.3 | Low | 74 Ų | 74 | 129.2 Ų | 129.2 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | | | trans | -176.6 | 45.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T161 D165 | T161-G163 PolarHBondContact O-N 3.27Å; G163-D165 PolarHBondContact O-N 3.12Å |
| 164 | W | 44.1 | Very low | 49.2 | Very low | 236 Ų | 236 | 128.2 Ų | 128.2 | 89% | 0.894 | 76% | 0.763 | S | S | * | * | | | trans | -94.7 | 81.5 | 170.4 | -151.3 | -39.8 | 0 | 0 | 0 | 108 | S166 | W164-S166 VanDerWaalsContact CD1-OG 3.28Å; W164-S166 PolarHBondContact O-N 3.44Å; W164-S166 VanDerWaalsContact O-N 3.12Å |
| 165 | D | 37 | Very low | 48.2 | Very low | 151 Ų | 151 | 129 Ų | 129 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | | | trans | -78.3 | 90.9 | 171.6 | -144.2 | -10.1 | 0 | 0 | 0 | 107.3 | G163 S167 | G163-D165 PolarHBondContact O-N 3.12Å; D165-S167 PolarHBondContact O-N 3.15Å; D165-S167 VanDerWaalsContact O-N 3.15Å |
| 166 | S | 41.9 | Very low | 47.6 | Very low | 90 Ų | 90 | 126.9 Ų | 126.9 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | | | trans | -80 | 86.8 | 173.4 | -68.4 | 0 | 0 | 0 | 0 | 108.7 | W164 P168 | W164-S166 VanDerWaalsContact CD1-OG 3.28Å; W164-S166 PolarHBondContact O-N 3.44Å; W164-S166 VanDerWaalsContact O-N 3.12Å; S166-P168 WeakPolarHBondContact O-CD 3.41Å |
| 167 | S | 43.6 | Very low | 46.8 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | -83.1 | 116.6 | 162.6 | -88.2 | 0 | 0 | 0 | 0 | 109.8 | D165 G169 | D165-S167 PolarHBondContact O-N 3.15Å; D165-S167 VanDerWaalsContact O-N 3.15Å; S167-G169 PolarHBondContact O-N 3.38Å |
| 168 | P | 50.4 | Low | 46.6 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | | | trans | -89.2 | 94.9 | 173.2 | 32.3 | -25.6 | 0 | 0 | 0 | 109.1 | S166 | S166-P168 WeakPolarHBondContact O-CD 3.41Š|
| 169 | G | 47.5 | Very low | 46.5 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | | | trans | 161.1 | 71.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S167 | S167-G169 PolarHBondContact O-N 3.38Š|
| 170 | A | 41 | Very low | 46.7 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | | | trans | -146.9 | 126.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 171 | G | 39.4 | Very low | 46.6 | Very low | 75 Ų | 75 | 136.6 Ų | 136.6 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | -67 | 145.5 | -162.6 | 0 | 0 | 0 | 0 | 0 | 115 | Q173 | G171-Q173 PolarHBondContact O-N 3.25Š|
| 172 | F | 43.3 | Very low | 46.9 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | | | trans | 12.3 | 105.6 | 131.6 | -141.9 | -91.4 | 0 | 0 | 0 | 116.3 | | |
| 173 | Q | 40.4 | Very low | 47.5 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | -149.2 | 105.5 | 138.8 | -71.5 | -57.2 | 12.8 | 0 | 0 | 109.8 | G171 P175 | G171-Q173 PolarHBondContact O-N 3.25Å; Q173-P175 WeakPolarHBondContact O-CD 3.5Å |
| 174 | V | 42.1 | Very low | 47.9 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 65% | 0.648 | 74% | 0.744 | S | S | * | * | | | trans | -87.6 | 117.6 | 161.2 | 174.8 | 0 | 0 | 0 | 0 | 106.3 | E176 | V174-E176 VanDerWaalsContact C-N 3.34Å; V174-E176 PolarHBondContact O-N 3.09Å |
| 175 | P | 44 | Very low | 48.7 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | | | trans | -70.6 | 99.3 | 164.5 | -10.3 | 26.7 | 0 | 0 | 0 | 106.8 | Q173 V177 | Q173-P175 WeakPolarHBondContact O-CD 3.5Å; P175-V177 HydrophobicContact CB-CG2 4.23Å; P175-V177 PolarHBondContact O-N 3.11Å |
| 176 | E | 48.7 | Very low | 49.7 | Very low | 179 Ų | 179 | 128 Ų | 128 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | | | trans | -68.8 | 69.4 | 169.3 | -158.9 | -176.7 | -168 | 0 | 0 | 108.7 | V174 R178 | V174-E176 VanDerWaalsContact C-N 3.34Å; V174-E176 PolarHBondContact O-N 3.09Å; E176-R178 PolarHBondContact O-N 3.11Å |
| 177 | V | 43.1 | Very low | 50.5 | Low | 105 Ų | 105 | 126.2 Ų | 126.2 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | | | trans | -79.6 | 87 | 166.8 | -170.1 | 0 | 0 | 0 | 0 | 105.9 | P175 K179 | P175-V177 HydrophobicContact CB-CG2 4.23Å; P175-V177 PolarHBondContact O-N 3.11Å; V177-K179 HydrophobicContact CG1-CG 3.98Å; V177-K179 PolarHBondContact O-N 3.46Å |
| 178 | R | 56.8 | Low | 51.3 | Low | 201 Ų | 201 | 128.4 Ų | 128.4 | 76% | 0.758 | 73% | 0.727 | S | S | * | * | | | trans | -57.9 | 76 | 163 | -176.3 | 176.2 | 163.9 | -174 | -3 | 108.7 | E176 K180 | E176-R178 PolarHBondContact O-N 3.11Å; R178-K180 PolarHBondContact O-N 2.97Å |
| 179 | K | 53.9 | Low | 51.7 | Low | 179 Ų | 179 | 131 Ų | 131 | 78% | 0.778 | 72% | 0.724 | S | S | * | * | | | trans | -67.4 | 101.5 | 166.9 | -87 | 179.4 | 177 | 172.7 | 0 | 106 | V177 F181 | V177-K179 HydrophobicContact CG1-CG 3.98Å; V177-K179 PolarHBondContact O-N 3.46Å; K179-F181 VanDerWaalsContact C-N 3.25Å; K179-F181 PolarHBondContact O-N 2.78Å |
| 180 | K | 56.7 | Low | 52.1 | Low | 166 Ų | 166 | 134.2 Ų | 134.2 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | | | trans | -55.4 | 98.6 | 160.7 | -83.2 | 141.9 | 173.7 | -178.3 | 0 | 106.5 | R178 T182 | R178-K180 PolarHBondContact O-N 2.97Å; K180-T182 PolarHBondContact O-N 3.22Å |
| 181 | F | 50.1 | Low | 52.6 | Low | 184 Ų | 184 | 133.8 Ų | 133.8 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | | | trans | -68.6 | 102.2 | 172.2 | -160.8 | -95.4 | 0 | 0 | 0 | 105.6 | K179 P183 | K179-F181 VanDerWaalsContact C-N 3.25Å; K179-F181 PolarHBondContact O-N 2.78Å; F181-P183 VanDerWaalsContact O-CD 3.27Å; F181-P183 WeakPolarHBondContact O-CD 3.41Å |
| 182 | T | 60.2 | Low | 53.3 | Low | 122 Ų | 122 | 135.4 Ų | 135.4 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | | | trans | -60.7 | 115.3 | 167.5 | 30.7 | 0 | 0 | 0 | 0 | 106.6 | K180 N184 | K180-T182 PolarHBondContact O-N 3.22Å; T182-N184 PolarHBondContact O-N 3.07Å; T182-N184 VanDerWaalsContact O-N 3.09Å |
| 183 | P | 63.1 | Low | 54.3 | Low | 87 Ų | 87 | 130.3 Ų | 130.3 | 57% | 0.565 | 71% | 0.707 | S | S | * | * | | | trans | -65.5 | 119.6 | -179 | 25.2 | -30.3 | 0 | 0 | 0 | 107.9 | F181 P185 | F181-P183 VanDerWaalsContact O-CD 3.27Å; F181-P183 WeakPolarHBondContact O-CD 3.41Å; P183-P185 WeakPolarHBondContact O-CD 3.27Å |
| 184 | N | 57.8 | Low | 54.9 | Low | 90 Ų | 90 | 127.8 Ų | 127.8 | 48% | 0.481 | 71% | 0.705 | S | S | . | * | | | trans | -61.9 | 120.1 | 170.6 | 176.6 | -5 | 0 | 0 | 0 | 108.5 | T182 S186 A187 | T182-N184 PolarHBondContact O-N 3.07Å; T182-N184 VanDerWaalsContact O-N 3.09Å; N184-S186 PolarHBondContact ND2-OG 3.09Å; N184-S186 VanDerWaalsContact ND2-OG 3.11Å; N184-S186 PolarHBondContact O-N 2.99Å; N184-S186 VanDerWaalsContact O-N 3.08Å; N184-S186 PolarHBondContact OD1-N 3.08Å; N184-S186 PolarHBondContact OD1-OG 3.35Å; N184-A187 PolarHBondContact O-N 2.62Å |
| 185 | P | 60.8 | Low | 55.8 | Low | 139 Ų | 139 | 134 Ų | 134 | 90% | 0.903 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -3.2 | -177.8 | 28.8 | -35.7 | 0 | 0 | 0 | 114.4 | P183 | P183-P185 WeakPolarHBondContact O-CD 3.27Š|
| 186 | S | 57.8 | Low | 56.4 | Low | 83 Ų | 83 | 135.8 Ų | 135.8 | 58% | 0.58 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 2.4 | 178.1 | 60.7 | 0 | 0 | 0 | 0 | 114.8 | N184 I188 | N184-S186 PolarHBondContact ND2-OG 3.09Å; N184-S186 VanDerWaalsContact ND2-OG 3.11Å; N184-S186 PolarHBondContact O-N 2.99Å; N184-S186 VanDerWaalsContact O-N 3.08Å; N184-S186 PolarHBondContact OD1-N 3.08Å; N184-S186 PolarHBondContact OD1-OG 3.35Å; S186-I188 PolarHBondContact O-N 3.29Å; S186-I188 VanDerWaalsContact O-N 3.11Å |
| 187 | A | 59.3 | Low | 56.7 | Low | 53 Ų | 53 | 135.3 Ų | 135.3 | 44% | 0.438 | 72% | 0.721 | S | S | . | * | | | trans | -80.8 | 89.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N184 F189 | N184-A187 PolarHBondContact O-N 2.62Å; A187-F189 PolarHBondContact O-N 3.14Å; A187-F189 VanDerWaalsContact O-N 3.09Å |
| 188 | I | 60.3 | Low | 57 | Low | 150 Ų | 150 | 137.2 Ų | 137.2 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -66.5 | -4.1 | 177 | -65.6 | 170.6 | 0 | 0 | 0 | 112.9 | S186 | S186-I188 PolarHBondContact O-N 3.29Å; S186-I188 VanDerWaalsContact O-N 3.11Å |
| 189 | F | 60.1 | Low | 56.5 | Low | 189 Ų | 189 | 138 Ų | 138 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | | | trans | -121.1 | 59.1 | 177.7 | -60.7 | -77.1 | 0 | 0 | 0 | 112 | A187 A191 | A187-F189 PolarHBondContact O-N 3.14Å; A187-F189 VanDerWaalsContact O-N 3.09Å; F189-A191 VanDerWaalsContact C-N 3.28Å; F189-A191 PolarHBondContact O-N 3.05Å |
| 190 | Q | 54.3 | Low | 56.7 | Low | 143 Ų | 143 | 135.9 Ų | 135.9 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | | | trans | -82.1 | 82 | 154.7 | -72 | -174.8 | -12.8 | 0 | 0 | 108.1 | S192 | Q190-S192 PolarHBondContact O-N 3.07Š|
| 191 | A | 52.2 | Low | 56.6 | Low | 94 Ų | 94 | 134.3 Ų | 134.3 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | | | trans | -65.3 | 109.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | F189 A193 | F189-A191 VanDerWaalsContact C-N 3.28Å; F189-A191 PolarHBondContact O-N 3.05Å; A191-A193 PolarHBondContact O-N 3Å |
| 192 | S | 54 | Low | 57 | Low | 110 Ų | 110 | 131.6 Ų | 131.6 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | | | trans | -47.6 | 124.6 | 168.9 | 174.5 | 0 | 0 | 0 | 0 | 108.7 | Q190 | Q190-S192 PolarHBondContact O-N 3.07Š|
| 193 | A | 63.8 | Low | 56.8 | Low | 75 Ų | 75 | 132.1 Ų | 132.1 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | | | trans | -50.8 | 134.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | A191 R195 | A191-A193 PolarHBondContact O-N 3Å; A193-R195 PolarHBondContact O-N 2.7Å; A193-R195 VanDerWaalsContact O-N 3.07Å |
| 194 | P | 54.3 | Low | 56.4 | Low | 119 Ų | 119 | 134.9 Ų | 134.9 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | | | trans | -66.7 | 114.4 | 175.5 | 26.9 | -30.9 | 0 | 0 | 0 | 107.6 | I196 | P194-I196 PolarHBondContact O-N 3.01Š|
| 195 | R | 60.1 | Low | 56.3 | Low | 238 Ų | 238 | 137.9 Ų | 137.9 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | | | trans | -64.5 | 108 | 165.8 | -70.7 | -179.5 | 179.2 | 156.1 | -0.1 | 106.4 | A193 L197 | A193-R195 PolarHBondContact O-N 2.7Å; A193-R195 VanDerWaalsContact O-N 3.07Å; R195-L197 PolarHBondContact O-N 2.85Å; R195-L197 VanDerWaalsContact O-N 3.14Å |
| 196 | I | 56.2 | Low | 56 | Low | 145 Ų | 145 | 137.9 Ų | 137.9 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | | | trans | -59.6 | 113.8 | 170.8 | -61.8 | 167.8 | 0 | 0 | 0 | 106.3 | P194 N198 | P194-I196 PolarHBondContact O-N 3.01Å; I196-N198 PolarHBondContact O-N 3.06Å |
| 197 | L | 55.2 | Low | 55.9 | Low | 169 Ų | 169 | 142.1 Ų | 142.1 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | | | trans | -68.9 | 112.4 | 166 | -76.9 | 166.8 | 0 | 0 | 0 | 106.9 | R195 | R195-L197 PolarHBondContact O-N 2.85Å; R195-L197 VanDerWaalsContact O-N 3.14Å |
| 198 | N | 50.7 | Low | 55.6 | Low | 145 Ų | 145 | 149.5 Ų | 149.5 | 78% | 0.775 | 82% | 0.819 | S | S | * | * | | | trans | -78 | 139.1 | 161.8 | -76.7 | -21.5 | 0 | 0 | 0 | 108.5 | I196 | I196-N198 PolarHBondContact O-N 3.06Š|
| 199 | V | 46.1 | Very low | 55.2 | Low | 217 Ų | 217 | 149.5 Ų | 149.5 | 100% | 1.315 | 82% | 0.823 | S | S | * | * | | | trans | -44 | 0 | 177.6 | 174.3 | 0 | 0 | 0 | 0 | 113.6 | | |