| 1 | M | 46.4 | Very low | 60.2 | Low | 228 Ų | 228 | 124.2 Ų | 124.2 | 100% | 1.123 | 67% | 0.669 | S | S | * | * | | | | 0 | 127.3 | 0 | -84.4 | 152.6 | 67.9 | 0 | 0 | 106.5 | D3 | M1-D3 PolarHBondContact O-N 3.27Š|
| 2 | R | 46.3 | Very low | 61.5 | Low | 222 Ų | 222 | 122.2 Ų | 122.2 | 84% | 0.838 | 66% | 0.657 | S | S | * | * | | | trans | -60.5 | 122.9 | -179.3 | -74.7 | -175.3 | 179.4 | -156.9 | -0.8 | 108.7 | N4 | R2-N4 WeakPolarHBondContact CB-OD1 3.24Å; R2-N4 VanDerWaalsContact O-CG 3.31Å; R2-N4 PolarHBondContact O-N 2.9Å; R2-N4 PolarHBondContact O-ND2 3.22Å; R2-N4 PolarHBondContact O-OD1 3.19Å |
| 3 | D | 53.9 | Low | 62.4 | Low | 153 Ų | 153 | 117 Ų | 117 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | | | trans | -68.1 | 79.9 | 169.9 | -57.4 | -51.3 | 0 | 0 | 0 | 108 | M1 T5 | M1-D3 PolarHBondContact O-N 3.27Å; D3-T5 PolarHBondContact O-N 3.37Å |
| 4 | N | 53.2 | Low | 62.8 | Low | 130 Ų | 130 | 114.9 Ų | 114.9 | 70% | 0.695 | 63% | 0.63 | S | S | * | * | | | trans | -72.5 | 23.4 | -177.1 | -62.2 | -37.2 | 0 | 0 | 0 | 112.5 | R2 S6 | R2-N4 WeakPolarHBondContact CB-OD1 3.24Å; R2-N4 VanDerWaalsContact O-CG 3.31Å; R2-N4 PolarHBondContact O-N 2.9Å; R2-N4 PolarHBondContact O-ND2 3.22Å; R2-N4 PolarHBondContact O-OD1 3.19Å; N4-S6 PolarHBondContact O-N 2.76Å |
| 5 | T | 53.3 | Low | 63.2 | Low | 100 Ų | 100 | 109.7 Ų | 109.7 | 61% | 0.613 | 61% | 0.606 | S | S | * | * | | | trans | -80.4 | 76.4 | 178.3 | 46.8 | 0 | 0 | 0 | 0 | 108.9 | D3 | D3-T5 PolarHBondContact O-N 3.37Š|
| 6 | S | 57.6 | Low | 63 | Low | 94 Ų | 94 | 108.3 Ų | 108.3 | 66% | 0.657 | 62% | 0.623 | S | S | * | * | | | trans | -51.4 | 132 | 166.5 | -73.1 | 0 | 0 | 0 | 0 | 108.9 | N4 I8 | N4-S6 PolarHBondContact O-N 2.76Å; S6-I8 PolarHBondContact O-N 2.75Å |
| 7 | P | 63.3 | Low | 62.7 | Low | 114 Ų | 114 | 107.2 Ų | 107.2 | 74% | 0.74 | 62% | 0.624 | S | S | * | * | | | trans | -57.7 | 125.2 | 176.9 | 23 | -31.4 | 0 | 0 | 0 | 108.9 | S9 | P7-S9 PolarHBondContact O-N 3.3Š|
| 8 | I | 69.2 | Low | 62.4 | Low | 77 Ų | 77 | 112.6 Ų | 112.6 | 40% | 0.395 | 63% | 0.632 | S | S | . | * | | | trans | -78.6 | 108.7 | -179.3 | -66.6 | 164.5 | 0 | 0 | 0 | 107.3 | S6 V10 Y46 | S6-I8 PolarHBondContact O-N 2.75Å; I8-V10 HydrophobicContact CG2-CG2 4.45Å; I8-Y46 HydrophobicContact CD1-CE2 4.22Å |
| 9 | S | 70.9 | Confident | 62.5 | Low | 67 Ų | 67 | 109.9 Ų | 109.9 | 47% | 0.469 | 63% | 0.633 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.3 | 135.6 | 172.8 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | P7 Y26 | P7-S9 PolarHBondContact O-N 3.3Å; S9-Y26 PolarHBondContact O-N 3.37Å |
| 10 | V | 71.3 | Confident | 62.6 | Low | 87 Ų | 87 | 109.3 Ų | 109.3 | 53% | 0.527 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.2 | 131.8 | 178.2 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | I8 L23 | I8-V10 HydrophobicContact CG2-CG2 4.45Å; V10-L23 HydrophobicContact CG1-CB 4.23Å; V10-L23 HydrophobicContact CG1-CG 4.49Å; V10-L23 HydrophobicContact CG1-CD2 3.82Å |
| 11 | I | 77.2 | Confident | 63.1 | Low | 94 Ų | 94 | 111 Ų | 111 | 48% | 0.482 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116 | 123.5 | 177.3 | -55.8 | 170.4 | 0 | 0 | 0 | 107.8 | V13 F24 | I11-V13 HydrophobicContact CG2-CG1 3.95Å; I11-F24 PolarHBondContact N-O 3.26Å; I11-F24 PolarHBondContact O-N 2.93Å |
| 12 | L | 75.8 | Confident | 64.5 | Low | 100 Ų | 100 | 104 Ų | 104 | 52% | 0.524 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.9 | 123.1 | 172.6 | -175.9 | 70.9 | 0 | 0 | 0 | 109 | K21 L23 | L12-K21 HydrophobicContact CD1-CB 3.82Å; L12-K21 HydrophobicContact CD1-CD 4.2Å; L12-K21 HydrophobicContact CD1-CG 4.38Å; L12-K21 HydrophobicContact CD2-CD 4.23Å; L12-L23 HydrophobicContact CB-CD2 4.26Å; L12-L23 HydrophobicContact CG-CD2 4.49Å; L12-L23 HydrophobicContact CD1-CG 4.36Å; L12-L23 HydrophobicContact CD1-CD2 3.46Å; L12-L23 VanDerWaalsContact CD1-CD2 3.46Å |
| 13 | V | 72.8 | Confident | 65.9 | Low | 55 Ų | 55 | 99.1 Ų | 99.1 | 33% | 0.333 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.4 | 140.4 | 171.4 | -53.4 | 0 | 0 | 0 | 0 | 110 | I11 L22 F24 | I11-V13 HydrophobicContact CG2-CG1 3.95Å; V13-L22 HydrophobicContact CG2-CB 4Å; V13-L22 PolarHBondContact N-O 2.76Å; V13-L22 PolarHBondContact O-N 2.87Å; V13-L22 VanDerWaalsContact O-O 3.13Å; V13-F24 HydrophobicContact CG2-CZ 4.5Å; V13-F24 HydrophobicContact CG2-CE2 3.26Å; V13-F24 VanDerWaalsContact CG2-CD2 3.41Å; V13-F24 HydrophobicContact CG2-CD2 3.41Å; V13-F24 HydrophobicContact CG1-CD2 4.36Å |
| 14 | S | 68.6 | Low | 67 | Low | 87 Ų | 87 | 96.4 Ų | 96.4 | 61% | 0.608 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.4 | 173.1 | -61.9 | 0 | 0 | 0 | 0 | 109.4 | G16 | S14-G16 PolarHBondContact O-N 2.85Å |
| 15 | S | 68.7 | Low | 68 | Low | 38 Ų | 38 | 96.1 Ų | 96.1 | 27% | 0.266 | 55% | 0.554 | S | S | . | * | | | trans | -68.1 | 111.7 | 170.3 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | S17 N20 | S15-S17 PolarHBondContact O-N 2.87Å; S15-N20 WeakPolarHBondContact CA-O 3.48Å; S15-N20 WeakPolarHBondContact CB-O 3.43Å; S15-N20 PolarHBondContact N-O 3.39Å |
| 16 | G | 60.5 | Low | 68.9 | Low | 86 Ų | 86 | 98.9 Ų | 98.9 | 89% | 0.887 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -3.4 | -166 | 0 | 0 | 0 | 0 | 0 | 116.7 | S14 | S14-G16 PolarHBondContact O-N 2.85Š|
| 17 | S | 57.4 | Low | 69.7 | Low | 90 Ų | 90 | 98.3 Ų | 98.3 | 63% | 0.629 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -30.8 | -176.4 | 60.4 | 0 | 0 | 0 | 0 | 115 | S15 | S15-S17 PolarHBondContact O-N 2.87Š|
| 18 | R | 56.6 | Low | 69.9 | Low | 205 Ų | 205 | 99.8 Ų | 99.8 | 77% | 0.774 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.8 | 15.6 | -170.2 | -68.9 | -173.2 | -75.1 | -161 | -1.6 | 115.5 | N20 | R18-N20 VanDerWaalsContact C-N 3.28Å; R18-N20 PolarHBondContact O-N 3.03Å |
| 19 | G | 65 | Low | 69.9 | Low | 62 Ų | 62 | 102.2 Ų | 102.2 | 64% | 0.639 | 55% | 0.553 | S | S | * | * | | | trans | 78.2 | 6.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K21 | G19-K21 PolarHBondContact O-N 3.16Š|
| 20 | N | 64.8 | Low | 69.4 | Low | 97 Ų | 97 | 109.7 Ų | 109.7 | 52% | 0.519 | 57% | 0.571 | S | S | . | * | | | trans | -70.9 | 119.4 | 177.4 | -70.1 | -11.9 | 0 | 0 | 0 | 110.3 | S15 R18 | S15-N20 WeakPolarHBondContact CA-O 3.48Å; S15-N20 WeakPolarHBondContact CB-O 3.43Å; S15-N20 PolarHBondContact N-O 3.39Å; R18-N20 VanDerWaalsContact C-N 3.28Å; R18-N20 PolarHBondContact O-N 3.03Å |
| 21 | K | 71.9 | Confident | 68.8 | Low | 145 Ų | 145 | 109.6 Ų | 109.6 | 63% | 0.63 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.6 | 123.8 | 173 | -66.7 | -177.1 | 178 | -166 | 0 | 109.9 | L12 G19 | L12-K21 HydrophobicContact CD1-CB 3.82Å; L12-K21 HydrophobicContact CD1-CD 4.2Å; L12-K21 HydrophobicContact CD1-CG 4.38Å; L12-K21 HydrophobicContact CD2-CD 4.23Å; G19-K21 PolarHBondContact O-N 3.16Å |
| 22 | L | 76 | Confident | 67.5 | Low | 80 Ų | 80 | 114 Ų | 114 | 42% | 0.419 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.5 | 138.9 | 174.8 | -62.8 | 176.6 | 0 | 0 | 0 | 109.5 | V13 F24 | V13-L22 HydrophobicContact CG2-CB 4Å; V13-L22 PolarHBondContact N-O 2.76Å; V13-L22 PolarHBondContact O-N 2.87Å; V13-L22 VanDerWaalsContact O-O 3.13Å; L22-F24 HydrophobicContact CB-CD2 4.41Å; L22-F24 HydrophobicContact CD1-CE2 4.34Å; L22-F24 HydrophobicContact CB-CE2 3.9Å |
| 23 | L | 76.6 | Confident | 66.4 | Low | 120 Ų | 120 | 118.3 Ų | 118.3 | 63% | 0.628 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.5 | 119.6 | 174.4 | -64.8 | 172.8 | 0 | 0 | 0 | 108.7 | V10 L12 | V10-L23 HydrophobicContact CG1-CB 4.23Å; V10-L23 HydrophobicContact CG1-CG 4.49Å; V10-L23 HydrophobicContact CG1-CD2 3.82Å; L12-L23 HydrophobicContact CB-CD2 4.26Å; L12-L23 HydrophobicContact CG-CD2 4.49Å; L12-L23 HydrophobicContact CD1-CG 4.36Å; L12-L23 HydrophobicContact CD1-CD2 3.46Å; L12-L23 VanDerWaalsContact CD1-CD2 3.46Å |
| 24 | F | 77.2 | Confident | 65.5 | Low | 96 Ų | 96 | 121.9 Ų | 121.9 | 42% | 0.421 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.4 | 136.3 | 170.9 | -75 | -96.2 | 0 | 0 | 0 | 109.7 | I11 V13 L22 | I11-F24 PolarHBondContact N-O 3.26Å; I11-F24 PolarHBondContact O-N 2.93Å; V13-F24 HydrophobicContact CG2-CZ 4.5Å; V13-F24 HydrophobicContact CG2-CE2 3.26Å; V13-F24 VanDerWaalsContact CG2-CD2 3.41Å; V13-F24 HydrophobicContact CG2-CD2 3.41Å; V13-F24 HydrophobicContact CG1-CD2 4.36Å; L22-F24 HydrophobicContact CB-CD2 4.41Å; L22-F24 HydrophobicContact CD1-CE2 4.34Å; L22-F24 HydrophobicContact CB-CE2 3.9Å |
| 25 | R | 74.5 | Confident | 64.7 | Low | 124 Ų | 124 | 123 Ų | 123 | 47% | 0.468 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.6 | 132.1 | 178.2 | -63.1 | 175.5 | 67.6 | -163.6 | -2.6 | 109 | P27 F28 | R25-P27 CarbonylContact O-C 3.41Å; R25-F28 PolarHBondContact O-N 3.26Å; R25-F28 WeakPolarHBondContact O-CA 3.46Å |
| 26 | Y | 71.4 | Confident | 63.9 | Low | 158 Ų | 158 | 125 Ų | 125 | 62% | 0.62 | 65% | 0.646 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.4 | 139.6 | 174 | -174.8 | -89.3 | 0 | 0 | 0 | 111.4 | S9 | S9-Y26 PolarHBondContact O-N 3.37Å |
| 27 | P | 74.4 | Confident | 63.5 | Low | 83 Ų | 83 | 126.6 Ų | 126.6 | 54% | 0.539 | 65% | 0.645 | S | S | . | * | S | Bend | cis | -64.9 | 149.6 | -7.2 | 28.2 | -34.1 | 0 | 0 | 0 | 111.6 | R25 Q29 | R25-P27 CarbonylContact O-C 3.41Å; P27-Q29 PolarHBondContact O-N 3.19Å |
| 28 | F | 67 | Low | 63.3 | Low | 145 Ų | 145 | 130.5 Ų | 130.5 | 64% | 0.636 | 65% | 0.653 | S | S | * | * | | | trans | -61.4 | 111.7 | -178 | 174.3 | -112 | 0 | 0 | 0 | 109.9 | R25 R30 | R25-F28 PolarHBondContact O-N 3.26Å; R25-F28 WeakPolarHBondContact O-CA 3.46Å; F28-R30 HydrophobicContact CD1-CG 4.45Å; F28-R30 HydrophobicContact CE1-CG 3.62Å; F28-R30 HydrophobicContact CZ-CG 4.16Å |
| 29 | Q | 69.1 | Low | 62.9 | Low | 127 Ų | 127 | 125 Ų | 125 | 59% | 0.593 | 64% | 0.642 | S | S | * | * | | | trans | -94.4 | 118.4 | 172 | -62.9 | -177.5 | -57.7 | 0 | 0 | 107.4 | P27 S31 | P27-Q29 PolarHBondContact O-N 3.19Å; Q29-S31 PolarHBondContact O-N 3.01Å |
| 30 | R | 60.3 | Low | 62.4 | Low | 225 Ų | 225 | 128 Ų | 128 | 85% | 0.849 | 65% | 0.653 | S | S | * | * | | | trans | -60.2 | 111.1 | 172.6 | -87.3 | -172.7 | -90.1 | 177.6 | -6.6 | 108.5 | F28 Q32 | F28-R30 HydrophobicContact CD1-CG 4.45Å; F28-R30 HydrophobicContact CE1-CG 3.62Å; F28-R30 HydrophobicContact CZ-CG 4.16Å; R30-Q32 PolarHBondContact O-N 3.48Å |
| 31 | S | 58.5 | Low | 62 | Low | 85 Ų | 85 | 130.8 Ų | 130.8 | 59% | 0.594 | 66% | 0.66 | S | S | * | * | | | trans | -68.4 | 117.2 | 172.7 | -58.9 | 0 | 0 | 0 | 0 | 109 | Q29 E33 | Q29-S31 PolarHBondContact O-N 3.01Å; S31-E33 PolarHBondContact O-N 3.35Å |
| 32 | Q | 50.5 | Low | 61.1 | Low | 185 Ų | 185 | 127.5 Ų | 127.5 | 86% | 0.864 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -60 | 126 | 148.5 | -155.3 | 176.9 | 14.6 | 0 | 0 | 105.1 | R30 H34 | R30-Q32 PolarHBondContact O-N 3.48Å; Q32-H34 PolarHBondContact O-N 3.04Å |
| 33 | E | 52 | Low | 60.5 | Low | 191 Ų | 191 | 135.4 Ų | 135.4 | 89% | 0.893 | 68% | 0.678 | S | S | * | * | | | trans | -14.4 | 100.6 | -177.2 | -114.2 | 179.6 | 142.2 | 0 | 0 | 113.4 | S31 P35 | S31-E33 PolarHBondContact O-N 3.35Å; E33-P35 WeakPolarHBondContact O-CD 3.11Å |
| 34 | H | 53.9 | Low | 59.7 | Low | 130 Ų | 130 | 132.7 Ų | 132.7 | 60% | 0.602 | 67% | 0.669 | S | S | * | * | | | trans | -86.7 | 115 | -171 | -126.7 | -87.3 | 0 | 0 | 0 | 109.1 | Q32 A36 | Q32-H34 PolarHBondContact O-N 3.04Å; H34-A36 HydrophobicContact CB-CB 4.42Å; H34-A36 PolarHBondContact O-N 3.11Å |
| 35 | P | 51.7 | Low | 58.7 | Low | 112 Ų | 112 | 138.3 Ų | 138.3 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | | | trans | -72.7 | 24.6 | 175.4 | 31 | -35.9 | 0 | 0 | 0 | 113 | E33 S37 Q38 | E33-P35 WeakPolarHBondContact O-CD 3.11Å; P35-S37 PolarHBondContact O-N 3.49Å; P35-Q38 PolarHBondContact O-N 2.85Å |
| 36 | A | 51.8 | Low | 58 | Low | 78 Ų | 78 | 140.5 Ų | 140.5 | 65% | 0.645 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -5.5 | -171 | 0 | 0 | 0 | 0 | 0 | 114.6 | H34 Q38 | H34-A36 HydrophobicContact CB-CB 4.42Å; H34-A36 PolarHBondContact O-N 3.11Å; A36-Q38 VanDerWaalsContact C-N 3.27Å; A36-Q38 PolarHBondContact O-N 3.14Å |
| 37 | S | 53.8 | Low | 57.6 | Low | 121 Ų | 121 | 135.1 Ų | 135.1 | 85% | 0.846 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -12.8 | 172 | -77.2 | 0 | 0 | 0 | 0 | 114.2 | P35 | P35-S37 PolarHBondContact O-N 3.49Š|
| 38 | Q | 52.3 | Low | 56.6 | Low | 172 Ų | 172 | 135.2 Ų | 135.2 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -140.5 | 86.2 | -175.1 | -65.7 | -171.1 | 47.2 | 0 | 0 | 112.8 | P35 A36 | P35-Q38 PolarHBondContact O-N 2.85Å; A36-Q38 VanDerWaalsContact C-N 3.27Å; A36-Q38 PolarHBondContact O-N 3.14Å |
| 39 | T | 48.1 | Very low | 55.9 | Low | 90 Ų | 90 | 132.3 Ų | 132.3 | 55% | 0.552 | 69% | 0.691 | S | S | * | * | | | trans | -171.5 | 125.2 | 142.9 | 170.5 | 0 | 0 | 0 | 0 | 108.4 | K41 | T39-K41 PolarHBondContact O-N 2.99Š|
| 40 | S | 54.3 | Low | 55.4 | Low | 123 Ų | 123 | 134.3 Ų | 134.3 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -60.7 | 12.2 | 175 | 50.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 41 | K | 56.2 | Low | 55.1 | Low | 156 Ų | 156 | 129.6 Ų | 129.6 | 68% | 0.678 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -108 | 115.9 | -179.1 | -66.5 | 169 | 179.8 | 176.8 | 0 | 108 | T39 R43 | T39-K41 PolarHBondContact O-N 2.99Å; K41-R43 PolarHBondContact O-N 3.46Å |
| 42 | P | 54.1 | Low | 54.9 | Low | 76 Ų | 76 | 129 Ų | 129 | 49% | 0.494 | 71% | 0.709 | S | S | . | * | | | trans | -63.9 | 101.6 | 175.6 | 24.4 | -30.5 | 0 | 0 | 0 | 108.8 | S44 A47 | P42-S44 PolarHBondContact O-N 2.86Å; P42-A47 HydrophobicContact CB-CB 3.72Å |
| 43 | R | 63 | Low | 55 | Low | 246 Ų | 246 | 127.7 Ų | 127.7 | 93% | 0.928 | 71% | 0.708 | S | S | * | * | | | trans | -77.8 | 2.7 | 177.5 | -165.9 | 167.9 | 176.4 | 89 | -0.8 | 112.4 | K41 | K41-R43 PolarHBondContact O-N 3.46Š|
| 44 | S | 58.7 | Low | 55.3 | Low | 63 Ų | 63 | 128 Ų | 128 | 44% | 0.441 | 71% | 0.709 | S | S | . | * | S | Bend | trans | -118.2 | 134.5 | -175.8 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | P42 Y46 A47 | P42-S44 PolarHBondContact O-N 2.86Å; S44-Y46 PolarHBondContact O-N 2.84Å; S44-Y46 VanDerWaalsContact O-N 3.14Å; S44-Y46 PolarHBondContact OG-N 3.21Å; S44-A47 PolarHBondContact O-N 2.91Å; S44-A47 VanDerWaalsContact O-N 3.11Å |
| 45 | R | 57.8 | Low | 55.2 | Low | 215 Ų | 215 | 125 Ų | 125 | 81% | 0.811 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -16.1 | 176.7 | -70.2 | -164.7 | -71.9 | -172.1 | -1.9 | 114.3 | | |
| 46 | Y | 59.2 | Low | 55.2 | Low | 169 Ų | 169 | 126.1 Ų | 126.1 | 66% | 0.663 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | -0.9 | 178.4 | -51.7 | -67.4 | 0 | 0 | 0 | 113.2 | I8 S44 A48 | I8-Y46 HydrophobicContact CD1-CE2 4.22Å; S44-Y46 PolarHBondContact O-N 2.84Å; S44-Y46 VanDerWaalsContact O-N 3.14Å; S44-Y46 PolarHBondContact OG-N 3.21Å; Y46-A48 PolarHBondContact O-N 3.29Å |
| 47 | A | 63.4 | Low | 55.3 | Low | 46 Ų | 46 | 132.4 Ų | 132.4 | 38% | 0.38 | 72% | 0.723 | S | S | . | * | S | Bend | trans | -76.9 | 120.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | P42 S44 S49 | P42-A47 HydrophobicContact CB-CB 3.72Å; S44-A47 PolarHBondContact O-N 2.91Å; S44-A47 VanDerWaalsContact O-N 3.11Å; A47-S49 PolarHBondContact O-N 3.27Å |
| 48 | A | 52.8 | Low | 55.6 | Low | 84 Ų | 84 | 134.9 Ų | 134.9 | 69% | 0.694 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -59 | 129.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | Y46 N50 | Y46-A48 PolarHBondContact O-N 3.29Å; A48-N50 PolarHBondContact O-N 3.02Å |
| 49 | S | 52.3 | Low | 55.7 | Low | 84 Ų | 84 | 134.7 Ų | 134.7 | 59% | 0.587 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 122.1 | 168 | -25.7 | 0 | 0 | 0 | 0 | 107.1 | A47 T51 | A47-S49 PolarHBondContact O-N 3.27Å; S49-T51 PolarHBondContact O-OG1 2.93Å; S49-T51 PolarHBondContact O-N 3.44Å |
| 50 | N | 58.6 | Low | 55.9 | Low | 169 Ų | 169 | 133.1 Ų | 133.1 | 90% | 0.904 | 73% | 0.727 | S | S | * | * | | | trans | -64.3 | 90.4 | 172.7 | -71.8 | -6.4 | 0 | 0 | 0 | 108.5 | A48 | A48-N50 PolarHBondContact O-N 3.02Š|
| 51 | T | 53.9 | Low | 56.1 | Low | 127 Ų | 127 | 133 Ų | 133 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | | | trans | -116.7 | 87 | 170.7 | -11.1 | 0 | 0 | 0 | 0 | 105.5 | S49 | S49-T51 PolarHBondContact O-OG1 2.93Å; S49-T51 PolarHBondContact O-N 3.44Å |
| 52 | G | 55.1 | Low | 56.3 | Low | 72 Ų | 72 | 130.9 Ų | 130.9 | 74% | 0.742 | 72% | 0.722 | S | S | * | * | | | trans | 75.4 | 98.9 | 169 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 53 | D | 52.5 | Low | 56.7 | Low | 158 Ų | 158 | 136.5 Ų | 136.5 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | | | | -157.5 | 87.1 | 122.8 | -130.3 | -16.1 | 0 | 0 | 0 | 109.6 | | |
| 54 | H | 57.3 | Low | 56.2 | Low | 198 Ų | 198 | 130.9 Ų | 130.9 | 92% | 0.917 | 73% | 0.729 | S | S | * | * | | | trans | -130.8 | 63.7 | 165.9 | -165.4 | -41.5 | 0 | 0 | 0 | 105.5 | | |
| 55 | A | 52.8 | Low | 56.1 | Low | 66 Ų | 66 | 134 Ų | 134 | 55% | 0.545 | 75% | 0.745 | S | S | . | * | | | trans | -151.1 | 118.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 56 | D | 52.1 | Low | 55.6 | Low | 136 Ų | 136 | 132.5 Ų | 132.5 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | trans | 65.2 | 84.4 | 150.4 | -59.4 | -57.4 | 0 | 0 | 0 | 120 | | |
| 57 | E | 53.7 | Low | 55.2 | Low | 210 Ų | 210 | 130.7 Ų | 130.7 | 98% | 0.981 | 75% | 0.754 | S | S | * | * | | | trans | -120.7 | 67.5 | 130.9 | -77.4 | -177.4 | 134.7 | 0 | 0 | 108.3 | | |
| 58 | Q | 58.4 | Low | 54.5 | Low | 173 Ų | 173 | 138.2 Ų | 138.2 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | | | trans | -78.1 | 131 | 151.3 | -90.5 | -167.6 | -3.9 | 0 | 0 | 108.8 | | |
| 59 | D | 55.3 | Low | 54.2 | Low | 167 Ų | 167 | 145.6 Ų | 145.6 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | | | trans | 73.7 | 131.6 | 151.5 | -153.6 | 20.9 | 0 | 0 | 0 | 119.4 | | |
| 60 | G | 53 | Low | 54.3 | Low | 57 Ų | 57 | 148.7 Ų | 148.7 | 59% | 0.588 | 80% | 0.803 | S | S | * | * | | | trans | 161.5 | 54.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S62 | G60-S62 PolarHBondContact O-N 3.47Å; G60-S62 PolarHBondContact O-OG 2.77Å |
| 61 | D | 57.1 | Low | 54.1 | Low | 120 Ų | 120 | 147.6 Ų | 147.6 | 64% | 0.642 | 80% | 0.798 | S | S | * | * | | | trans | -37.8 | 97.8 | 170.9 | -173.7 | 29.7 | 0 | 0 | 0 | 112.7 | R63 | D61-R63 PolarHBondContact O-N 3.22Å; D61-R63 WeakPolarHBondContact OD1-CG 3.42Å; D61-R63 IonicContact OD1-NE 3.82Å; D61-R63 WeakPolarHBondContact OD2-CD 3.17Å; D61-R63 IonicContact OD2-NE 3.69Å |
| 62 | S | 60.7 | Low | 54.1 | Low | 112 Ų | 112 | 148.8 Ų | 148.8 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | | | trans | -98 | 69.6 | 174.9 | -65.3 | 0 | 0 | 0 | 0 | 109.7 | G60 P64 | G60-S62 PolarHBondContact O-N 3.47Å; G60-S62 PolarHBondContact O-OG 2.77Å; S62-P64 VanDerWaalsContact O-CD 3.24Å; S62-P64 WeakPolarHBondContact O-CD 3.15Å |
| 63 | R | 64 | Low | 54 | Low | 194 Ų | 194 | 153.3 Ų | 153.3 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -73 | 116.2 | 162.7 | -78.6 | 170.8 | 176.1 | -159.9 | -2.3 | 109 | D61 T65 | D61-R63 PolarHBondContact O-N 3.22Å; D61-R63 WeakPolarHBondContact OD1-CG 3.42Å; D61-R63 IonicContact OD1-NE 3.82Å; D61-R63 WeakPolarHBondContact OD2-CD 3.17Å; D61-R63 IonicContact OD2-NE 3.69Å; R63-T65 PolarHBondContact O-N 3.48Å |
| 64 | P | 51.9 | Low | 54.1 | Low | 129 Ų | 129 | 153 Ų | 153 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 116.2 | 162 | 27 | -30.1 | 0 | 0 | 0 | 108.6 | S62 | S62-P64 VanDerWaalsContact O-CD 3.24Å; S62-P64 WeakPolarHBondContact O-CD 3.15Å |
| 65 | T | 56.2 | Low | 53.9 | Low | 129 Ų | 129 | 150 Ų | 150 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 135.3 | 174.7 | 41.1 | 0 | 0 | 0 | 0 | 111.2 | R63 | R63-T65 PolarHBondContact O-N 3.48Š|
| 66 | Q | 47.8 | Very low | 54 | Low | 182 Ų | 182 | 156 Ų | 156 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | | | trans | 80.1 | 96.8 | 142.7 | -152 | 161 | 47.2 | 0 | 0 | 119.8 | | |
| 67 | T | 51.1 | Low | 54.2 | Low | 131 Ų | 131 | 157.5 Ų | 157.5 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -63 | 148.2 | 146.4 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 68 | R | 48.8 | Very low | 54.2 | Low | 205 Ų | 205 | 153.2 Ų | 153.2 | 77% | 0.774 | 80% | 0.802 | S | S | * | * | | | trans | 104.9 | 127.1 | 169.5 | -72.8 | -177.5 | 137.5 | -118.7 | -4.2 | 113.3 | | |
| 69 | Q | 46.3 | Very low | 53.8 | Low | 239 Ų | 239 | 151.4 Ų | 151.4 | 100% | 1.117 | 80% | 0.801 | S | S | * | * | | | cis | -144.3 | 0 | 13.7 | -69 | -154.9 | 84.7 | 0 | 0 | 111 | | |