| 1 | M | 58.8 | Low | 73.9 | Confident | 209 Ų | 209 | 109.7 Ų | 109.7 | 100% | 1.03 | 63% | 0.627 | S | S | * | * | | | | 0 | 62.8 | 0 | -64.5 | 167 | 59 | 0 | 0 | 109.4 | | |
| 2 | N | 66.4 | Low | 73.6 | Confident | 134 Ų | 134 | 105.3 Ų | 105.3 | 72% | 0.717 | 61% | 0.614 | S | S | * | * | | | trans | -130.7 | -42.7 | -154.8 | -58 | 14 | 0 | 0 | 0 | 114.8 | V6 | N2-V6 WeakPolarHBondContact O-CG2 3.33Š|
| 3 | S | 69.3 | Low | 73.1 | Confident | 95 Ų | 95 | 102.1 Ų | 102.1 | 66% | 0.664 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -93.6 | -44 | -173.5 | 48.9 | 0 | 0 | 0 | 0 | 113.8 | T5 V6 L7 | S3-T5 PolarHBondContact O-N 2.86Å; S3-V6 PolarHBondContact O-N 2.8Å; S3-L7 WeakPolarHBondContact O-CB 3.49Å; S3-L7 PolarHBondContact O-N 2.75Å |
| 4 | V | 76.9 | Confident | 72.5 | Confident | 114 Ų | 114 | 102.9 Ų | 102.9 | 69% | 0.691 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.8 | -39 | -177.2 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | L7 A8 | V4-L7 PolarHBondContact O-N 3.2Å; V4-A8 WeakPolarHBondContact O-CB 3.42Å; V4-A8 PolarHBondContact O-N 3.07Å |
| 5 | T | 80.3 | Confident | 71.7 | Confident | 77 Ų | 77 | 100.6 Ų | 100.6 | 47% | 0.472 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.1 | -40.3 | 178.7 | -37.4 | 0 | 0 | 0 | 0 | 111.7 | S3 A8 I9 | S3-T5 PolarHBondContact O-N 2.86Å; T5-A8 PolarHBondContact O-N 3.4Å; T5-I9 HydrophobicContact CG2-CD1 4.36Å; T5-I9 WeakPolarHBondContact O-CD1 3.26Å; T5-I9 VanDerWaalsContact O-CG1 3.26Å; T5-I9 WeakPolarHBondContact O-CG1 3.47Å; T5-I9 PolarHBondContact O-N 2.86Å |
| 6 | V | 78.3 | Confident | 70.9 | Confident | 98 Ų | 98 | 105.6 Ų | 105.6 | 59% | 0.594 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.1 | -40.3 | 176.8 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | N2 S3 I9 F10 | N2-V6 WeakPolarHBondContact O-CG2 3.33Å; S3-V6 PolarHBondContact O-N 2.8Å; V6-I9 PolarHBondContact O-N 3.48Å; V6-F10 WeakPolarHBondContact O-CB 3.36Å; V6-F10 PolarHBondContact O-N 3.38Å |
| 7 | L | 76.8 | Confident | 70.3 | Confident | 118 Ų | 118 | 105 Ų | 105 | 62% | 0.618 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.7 | -41.3 | 175.4 | -173.9 | 65.7 | 0 | 0 | 0 | 111.9 | S3 V4 F10 A11 | S3-L7 WeakPolarHBondContact O-CB 3.49Å; S3-L7 PolarHBondContact O-N 2.75Å; V4-L7 PolarHBondContact O-N 3.2Å; L7-F10 PolarHBondContact O-N 3.1Å; L7-A11 WeakPolarHBondContact O-CB 3.1Å; L7-A11 PolarHBondContact O-N 3.32Å |
| 8 | A | 76.4 | Confident | 69.4 | Low | 60 Ų | 60 | 103.6 Ų | 103.6 | 50% | 0.496 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.1 | -41.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V4 T5 A12 | V4-A8 WeakPolarHBondContact O-CB 3.42Å; V4-A8 PolarHBondContact O-N 3.07Å; T5-A8 PolarHBondContact O-N 3.4Å; A8-A12 WeakPolarHBondContact O-CB 3.31Å; A8-A12 PolarHBondContact O-N 2.96Å |
| 9 | I | 79.7 | Confident | 68.7 | Low | 109 Ų | 109 | 100.3 Ų | 100.3 | 56% | 0.559 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.3 | -47.6 | 176.2 | -67.1 | 163.4 | 0 | 0 | 0 | 110.1 | T5 V6 A11 A12 S13 | T5-I9 HydrophobicContact CG2-CD1 4.36Å; T5-I9 WeakPolarHBondContact O-CD1 3.26Å; T5-I9 VanDerWaalsContact O-CG1 3.26Å; T5-I9 WeakPolarHBondContact O-CG1 3.47Å; T5-I9 PolarHBondContact O-N 2.86Å; V6-I9 PolarHBondContact O-N 3.48Å; I9-A11 PolarHBondContact O-N 3.14Å; I9-A12 PolarHBondContact O-N 3.28Å; I9-S13 PolarHBondContact O-N 2.92Å; I9-S13 PolarHBondContact O-OG 3.31Å |
| 10 | F | 76.9 | Confident | 68 | Low | 138 Ų | 138 | 100.8 Ų | 100.8 | 61% | 0.605 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.1 | -43.3 | 179.4 | -177.5 | -103 | 0 | 0 | 0 | 112.8 | V6 L7 S13 L14 | V6-F10 WeakPolarHBondContact O-CB 3.36Å; V6-F10 PolarHBondContact O-N 3.38Å; L7-F10 PolarHBondContact O-N 3.1Å; F10-S13 PolarHBondContact O-N 2.87Å; F10-L14 PolarHBondContact O-N 3.2Å; F10-L14 VanDerWaalsContact O-N 3.1Å |
| 11 | A | 73.2 | Confident | 67.4 | Low | 55 Ų | 55 | 101 Ų | 101 | 46% | 0.455 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.6 | -39.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L7 I9 L14 A15 | L7-A11 WeakPolarHBondContact O-CB 3.1Å; L7-A11 PolarHBondContact O-N 3.32Å; I9-A11 PolarHBondContact O-N 3.14Å; A11-L14 PolarHBondContact O-N 2.76Å; A11-A15 PolarHBondContact O-N 2.77Å |
| 12 | A | 70.1 | Confident | 67.2 | Low | 57 Ų | 57 | 96.2 Ų | 96.2 | 47% | 0.471 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.2 | -40.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A8 I9 A15 F16 | A8-A12 WeakPolarHBondContact O-CB 3.31Å; A8-A12 PolarHBondContact O-N 2.96Å; I9-A12 PolarHBondContact O-N 3.28Å; A12-A15 PolarHBondContact O-N 2.86Å; A12-F16 PolarHBondContact O-N 3.32Å |
| 13 | S | 67.7 | Low | 66.6 | Low | 63 Ų | 63 | 95.9 Ų | 95.9 | 44% | 0.441 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.3 | -43.8 | 175.5 | -49.4 | 0 | 0 | 0 | 0 | 112.2 | I9 F10 A15 F16 C17 | I9-S13 PolarHBondContact O-N 2.92Å; I9-S13 PolarHBondContact O-OG 3.31Å; F10-S13 PolarHBondContact O-N 2.87Å; S13-A15 PolarHBondContact O-N 2.99Å; S13-F16 PolarHBondContact O-N 2.86Å; S13-C17 PolarHBondContact O-N 3.46Å; S13-C17 PolarHBondContact O-SG 3.28Å |
| 14 | L | 64.1 | Low | 65.9 | Low | 113 Ų | 113 | 97.2 Ų | 97.2 | 59% | 0.592 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66 | -39.2 | -178.7 | -167.8 | 73.7 | 0 | 0 | 0 | 112 | F10 A11 C17 A18 | F10-L14 PolarHBondContact O-N 3.2Å; F10-L14 VanDerWaalsContact O-N 3.1Å; A11-L14 PolarHBondContact O-N 2.76Å; L14-C17 PolarHBondContact O-N 3.21Å; L14-A18 PolarHBondContact O-N 3.26Å |
| 15 | A | 61.2 | Low | 64.9 | Low | 69 Ų | 69 | 95.4 Ų | 95.4 | 57% | 0.57 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.1 | -35.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A11 A12 S13 A18 | A11-A15 PolarHBondContact O-N 2.77Å; A12-A15 PolarHBondContact O-N 2.86Å; S13-A15 PolarHBondContact O-N 2.99Å; A15-A18 PolarHBondContact O-N 3.36Å |
| 16 | F | 59.2 | Low | 63.8 | Low | 180 Ų | 180 | 101.3 Ų | 101.3 | 79% | 0.789 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.4 | -37.8 | 175.4 | -112.4 | -86.6 | 0 | 0 | 0 | 112.3 | A12 S13 A18 G19 | A12-F16 PolarHBondContact O-N 3.32Å; S13-F16 PolarHBondContact O-N 2.86Å; F16-A18 VanDerWaalsContact C-N 3.3Å; F16-A18 PolarHBondContact O-N 3.36Å; F16-G19 PolarHBondContact O-N 2.83Å |
| 17 | C | 59.4 | Low | 62.7 | Low | 96 Ų | 96 | 101.5 Ų | 101.5 | 65% | 0.649 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.4 | -24.9 | 177.5 | -63 | 0 | 0 | 0 | 0 | 113.5 | S13 L14 | S13-C17 PolarHBondContact O-N 3.46Å; S13-C17 PolarHBondContact O-SG 3.28Å; L14-C17 PolarHBondContact O-N 3.21Å |
| 18 | A | 54.3 | Low | 61.6 | Low | 79 Ų | 79 | 106 Ų | 106 | 65% | 0.653 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -81.8 | -21.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L14 A15 F16 | L14-A18 PolarHBondContact O-N 3.26Å; A15-A18 PolarHBondContact O-N 3.36Å; F16-A18 VanDerWaalsContact C-N 3.3Å; F16-A18 PolarHBondContact O-N 3.36Å |
| 19 | G | 55.9 | Low | 60.6 | Low | 42 Ų | 42 | 108.4 Ų | 108.4 | 43% | 0.433 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -79 | -22.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | F16 V21 S22 | F16-G19 PolarHBondContact O-N 2.83Å; G19-V21 VanDerWaalsContact C-N 3.31Å; G19-V21 PolarHBondContact O-N 3.05Å; G19-S22 PolarHBondContact O-N 3.29Å; G19-S22 PolarHBondContact O-OG 3.38Å |
| 20 | D | 55.2 | Low | 59.3 | Low | 110 Ų | 110 | 108.2 Ų | 108.2 | 59% | 0.588 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -74.9 | -15.9 | -169.8 | -152.9 | -93.1 | 0 | 0 | 0 | 113.6 | S22 H23 | D20-S22 VanDerWaalsContact C-N 3.34Å; D20-S22 PolarHBondContact O-N 3.08Å; D20-H23 PolarHBondContact O-CE1 2.84Å; D20-H23 PolarHBondContact O-ND1 3.18Å; D20-H23 IonicContact OD1-CE1 3.43Å; D20-H23 PolarHBondContact OD1-CE1 3.44Å |
| 21 | V | 54.5 | Low | 58.5 | Low | 105 Ų | 105 | 107.7 Ų | 107.7 | 64% | 0.636 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -87 | -6.4 | -178.9 | -162.9 | 0 | 0 | 0 | 0 | 112.8 | G19 H23 | G19-V21 VanDerWaalsContact C-N 3.31Å; G19-V21 PolarHBondContact O-N 3.05Å; V21-H23 VanDerWaalsContact C-N 3.34Å; V21-H23 PolarHBondContact O-N 2.81Å |
| 22 | S | 55.5 | Low | 57.7 | Low | 109 Ų | 109 | 112 Ų | 112 | 76% | 0.762 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -74.2 | -21.7 | -175.8 | 62.7 | 0 | 0 | 0 | 0 | 114.2 | G19 D20 | G19-S22 PolarHBondContact O-N 3.29Å; G19-S22 PolarHBondContact O-OG 3.38Å; D20-S22 VanDerWaalsContact C-N 3.34Å; D20-S22 PolarHBondContact O-N 3.08Å |
| 23 | H | 53.8 | Low | 57 | Low | 127 Ų | 127 | 115.4 Ų | 115.4 | 59% | 0.588 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -91.9 | -7.8 | 179.6 | 71.1 | -96.2 | 0 | 0 | 0 | 113.6 | D20 V21 S25 | D20-H23 PolarHBondContact O-CE1 2.84Å; D20-H23 PolarHBondContact O-ND1 3.18Å; D20-H23 IonicContact OD1-CE1 3.43Å; D20-H23 PolarHBondContact OD1-CE1 3.44Å; V21-H23 VanDerWaalsContact C-N 3.34Å; V21-H23 PolarHBondContact O-N 2.81Å; H23-S25 VanDerWaalsContact C-N 3.26Å; H23-S25 PolarHBondContact O-N 3.21Å; H23-S25 PolarHBondContact O-OG 2.78Å |
| 24 | L | 54 | Low | 56.6 | Low | 122 Ų | 122 | 115.7 Ų | 115.7 | 64% | 0.639 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -75.3 | 85.9 | 174.8 | -168 | 64.2 | 0 | 0 | 0 | 108.7 | R26 | L24-R26 PolarHBondContact O-N 3.41Š|
| 25 | S | 57.2 | Low | 55.6 | Low | 77 Ų | 77 | 113.6 Ų | 113.6 | 54% | 0.538 | 68% | 0.682 | S | S | . | * | | | trans | -53.9 | 123.9 | 178.1 | -34.9 | 0 | 0 | 0 | 0 | 108.2 | H23 S27 | H23-S25 VanDerWaalsContact C-N 3.26Å; H23-S25 PolarHBondContact O-N 3.21Å; H23-S25 PolarHBondContact O-OG 2.78Å; S25-S27 VanDerWaalsContact CB-OG 3.31Å; S25-S27 WeakPolarHBondContact CB-OG 3.47Å; S25-S27 PolarHBondContact O-N 3.14Å |
| 26 | R | 56.9 | Low | 54.9 | Low | 200 Ų | 200 | 121 Ų | 121 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -62.1 | 17 | 172.3 | -68.5 | -174.5 | 179.4 | -134.7 | 0.5 | 113.2 | L24 Y28 L29 | L24-R26 PolarHBondContact O-N 3.41Å; R26-Y28 PolarHBondContact O-N 3.35Å; R26-L29 HydrophobicContact CB-CD1 4.25Å; R26-L29 HydrophobicContact CG-CD1 4.07Å; R26-L29 PolarHBondContact O-N 2.74Å; R26-L29 VanDerWaalsContact O-N 3.14Å |
| 27 | S | 55.8 | Low | 53.9 | Low | 103 Ų | 103 | 117.9 Ų | 117.9 | 72% | 0.72 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -71 | -13.9 | 179.2 | -46 | 0 | 0 | 0 | 0 | 113.2 | S25 | S25-S27 VanDerWaalsContact CB-OG 3.31Å; S25-S27 WeakPolarHBondContact CB-OG 3.47Å; S25-S27 PolarHBondContact O-N 3.14Å |
| 28 | Y | 52.7 | Low | 53.4 | Low | 213 Ų | 213 | 115.7 Ų | 115.7 | 84% | 0.835 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -93.9 | -9.1 | 170.5 | -65.7 | -77 | 0 | 0 | 0 | 113.6 | R26 | R26-Y28 PolarHBondContact O-N 3.35Š|
| 29 | L | 55 | Low | 52.6 | Low | 110 Ų | 110 | 123.1 Ų | 123.1 | 58% | 0.576 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -89 | 127.8 | 173.7 | -73 | 157.8 | 0 | 0 | 0 | 107.5 | R26 | R26-L29 HydrophobicContact CB-CD1 4.25Å; R26-L29 HydrophobicContact CG-CD1 4.07Å; R26-L29 PolarHBondContact O-N 2.74Å; R26-L29 VanDerWaalsContact O-N 3.14Å |
| 30 | P | 53 | Low | 51.9 | Low | 104 Ų | 104 | 126.3 Ų | 126.3 | 68% | 0.675 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 145.7 | 168.7 | 25.1 | -32.6 | 0 | 0 | 0 | 108.6 | L32 | P30-L32 PolarHBondContact O-N 3.24Å; P30-L32 VanDerWaalsContact O-N 3.12Å |
| 31 | P | 60.2 | Low | 51.3 | Low | 128 Ų | 128 | 126.9 Ų | 126.9 | 83% | 0.831 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 125.9 | 179 | 18.9 | -30.7 | 0 | 0 | 0 | 109.2 | S33 | P31-S33 VanDerWaalsContact C-N 3.28Å; P31-S33 PolarHBondContact O-N 2.99Å |
| 32 | L | 56.3 | Low | 50.6 | Low | 145 Ų | 145 | 125.1 Ų | 125.1 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | | | trans | -67.4 | 89.3 | -176.1 | -154.4 | 94.5 | 0 | 0 | 0 | 108.6 | P30 G34 | P30-L32 PolarHBondContact O-N 3.24Å; P30-L32 VanDerWaalsContact O-N 3.12Å; L32-G34 PolarHBondContact O-N 2.79Å; L32-G34 VanDerWaalsContact O-N 3.11Å |
| 33 | S | 55.7 | Low | 50.3 | Low | 128 Ų | 128 | 131.2 Ų | 131.2 | 90% | 0.895 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 98.9 | 169.7 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | P31 | P31-S33 VanDerWaalsContact C-N 3.28Å; P31-S33 PolarHBondContact O-N 2.99Å |
| 34 | G | 59.7 | Low | 49.6 | Very low | 70 Ų | 70 | 130.6 Ų | 130.6 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.1 | 29.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 118 | L32 Y36 | L32-G34 PolarHBondContact O-N 2.79Å; L32-G34 VanDerWaalsContact O-N 3.11Å; G34-Y36 PolarHBondContact O-N 3.43Å; G34-Y36 VanDerWaalsContact O-N 3.13Å |
| 35 | G | 41.9 | Very low | 48.9 | Very low | 68 Ų | 68 | 130.2 Ų | 130.2 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | trans | -77.9 | 86.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S37 | G35-S37 PolarHBondContact O-N 2.91Š|
| 36 | Y | 46.7 | Very low | 47.8 | Very low | 225 Ų | 225 | 135.2 Ų | 135.2 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | | | trans | -66.9 | 110.9 | 162.7 | 159.6 | -94.1 | 0 | 0 | 0 | 108.7 | G34 | G34-Y36 PolarHBondContact O-N 3.43Å; G34-Y36 VanDerWaalsContact O-N 3.13Å |
| 37 | S | 38.2 | Very low | 46.9 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | -158.8 | 130.5 | 152 | -160 | 0 | 0 | 0 | 0 | 109.1 | G35 | G35-S37 PolarHBondContact O-N 2.91Š|
| 38 | G | 49.2 | Very low | 46 | Very low | 51 Ų | 51 | 130.6 Ų | 130.6 | 53% | 0.526 | 77% | 0.765 | S | S | . | * | | | trans | -71.1 | 179.1 | -159.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 39 | Y | 36.8 | Very low | 45.4 | Very low | 234 Ų | 234 | 131.2 Ų | 131.2 | 92% | 0.918 | 77% | 0.767 | S | S | * | * | | | trans | 94.6 | 78.7 | 174.2 | -52 | -74.2 | 0 | 0 | 0 | 117.1 | | |
| 40 | S | 40.8 | Very low | 44.5 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | | 79.4 | 124.1 | 119.9 | -153.4 | 0 | 0 | 0 | 0 | 121 | | |
| 41 | S | 44.1 | Very low | 44.4 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | trans | 76.7 | 92.8 | 152.4 | -69 | 0 | 0 | 0 | 0 | 118.8 | | |
| 42 | G | 39.5 | Very low | 43.3 | Very low | 69 Ų | 69 | 128.4 Ų | 128.4 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | 171.1 | 98.3 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | S44 | G42-S44 PolarHBondContact O-N 2.89Å; G42-S44 VanDerWaalsContact O-N 3.1Å |
| 43 | Y | 48 | Very low | 42.8 | Very low | 236 Ų | 236 | 127.1 Ų | 127.1 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | | | trans | -50.6 | 116.7 | 175.1 | -74 | -97.4 | 0 | 0 | 0 | 110.5 | | |
| 44 | S | 39.1 | Very low | 41.8 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -133.7 | 85.7 | 158.3 | -83 | 0 | 0 | 0 | 0 | 106.8 | G42 Y46 | G42-S44 PolarHBondContact O-N 2.89Å; G42-S44 VanDerWaalsContact O-N 3.1Å; S44-Y46 PolarHBondContact O-N 3.48Å; S44-Y46 VanDerWaalsContact O-N 3.1Å |
| 45 | S | 40.1 | Very low | 41.3 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | | | trans | -58.8 | 109.2 | 171.1 | -173.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 46 | Y | 33.8 | Very low | 41.1 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 71% | 0.71 | 78% | 0.776 | S | S | * | * | | | trans | -58.5 | 145.2 | 162 | 49.2 | -89.8 | 0 | 0 | 0 | 108.6 | S44 S48 | S44-Y46 PolarHBondContact O-N 3.48Å; S44-Y46 VanDerWaalsContact O-N 3.1Å; Y46-S48 PolarHBondContact O-N 3.41Å |
| 47 | P | 39.4 | Very low | 41.3 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | trans | -70.4 | 103.5 | 171.7 | 26.1 | -25.9 | 0 | 0 | 0 | 107.5 | Y49 | P47-Y49 PolarHBondContact O-N 2.86Š|
| 48 | S | 35.9 | Very low | 41.6 | Very low | 90 Ų | 90 | 131.9 Ų | 131.9 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | | | trans | -66.7 | 113.6 | 165.9 | -162.2 | 0 | 0 | 0 | 0 | 106.9 | Y46 S50 | Y46-S48 PolarHBondContact O-N 3.41Å; S48-S50 PolarHBondContact O-N 3.44Å |
| 49 | Y | 39.3 | Very low | 41.6 | Very low | 225 Ų | 225 | 133.7 Ų | 133.7 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | | | trans | -71.2 | 70.2 | 167.4 | 37.4 | -91.2 | 0 | 0 | 0 | 108.4 | P47 S51 | P47-Y49 PolarHBondContact O-N 2.86Å; Y49-S51 PolarHBondContact O-N 3.17Å |
| 50 | S | 37.8 | Very low | 42 | Very low | 95 Ų | 95 | 124.8 Ų | 124.8 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | | | trans | -71.5 | 109 | 162.1 | -170.8 | 0 | 0 | 0 | 0 | 106.5 | S48 G52 | S48-S50 PolarHBondContact O-N 3.44Å; S50-G52 VanDerWaalsContact C-N 3.26Å; S50-G52 PolarHBondContact O-N 3.12Å |
| 51 | S | 50 | Low | 42.4 | Very low | 128 Ų | 128 | 125.6 Ų | 125.6 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | | | trans | -52.7 | 93.7 | 162.7 | 45.8 | 0 | 0 | 0 | 0 | 108.6 | Y49 | Y49-S51 PolarHBondContact O-N 3.17Š|
| 52 | G | 36.7 | Very low | 42.4 | Very low | 60 Ų | 60 | 129.7 Ų | 129.7 | 62% | 0.619 | 78% | 0.779 | S | S | * | * | | | trans | -149 | 97 | -171.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | S50 G54 | S50-G52 VanDerWaalsContact C-N 3.26Å; S50-G52 PolarHBondContact O-N 3.12Å; G52-G54 PolarHBondContact O-N 2.78Å |
| 53 | S | 46.6 | Very low | 42.6 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -35.5 | 126.5 | 158.7 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 54 | G | 34.2 | Very low | 42.3 | Very low | 60 Ų | 60 | 124.9 Ų | 124.9 | 62% | 0.619 | 78% | 0.776 | S | S | * | * | | | trans | -176.5 | 92 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G52 Y56 | G52-G54 PolarHBondContact O-N 2.78Å; G54-Y56 PolarHBondContact O-N 3.11Å |
| 55 | Y | 48.8 | Very low | 42.5 | Very low | 207 Ų | 207 | 124.6 Ų | 124.6 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | | | trans | -64 | 95.7 | 170.6 | -62.5 | -96 | 0 | 0 | 0 | 111.6 | | |
| 56 | Y | 38.1 | Very low | 43 | Very low | 229 Ų | 229 | 127 Ų | 127 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | | | trans | -144.6 | 123.8 | 157.7 | -67.1 | -69.8 | 0 | 0 | 0 | 112.7 | G54 | G54-Y56 PolarHBondContact O-N 3.11Š|
| 57 | S | 50.6 | Low | 43.8 | Very low | 134 Ų | 134 | 126 Ų | 126 | 94% | 0.937 | 78% | 0.778 | S | S | * | * | | | trans | -64.8 | 140.8 | 175.7 | -166.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 58 | G | 44.5 | Very low | 44.1 | Very low | 74 Ų | 74 | 125.2 Ų | 125.2 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | | | trans | 166.3 | 83.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 59 | G | 50.3 | Low | 44.3 | Very low | 89 Ų | 89 | 125.3 Ų | 125.3 | 92% | 0.918 | 78% | 0.777 | S | S | * | * | | | trans | 46.7 | 97.6 | 144.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 60 | G | 43.5 | Very low | 44.7 | Very low | 48 Ų | 48 | 118.9 Ų | 118.9 | 50% | 0.495 | 77% | 0.765 | S | S | . | * | | | trans | 178.6 | 119.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y62 | G60-Y62 WeakPolarHBondContact O-CD2 3.43Å; G60-Y62 PolarHBondContact O-N 3.1Å |
| 61 | S | 50.5 | Low | 44.9 | Very low | 126 Ų | 126 | 124.8 Ų | 124.8 | 88% | 0.881 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -60.2 | 81.7 | -166.6 | -55.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 62 | Y | 42.9 | Very low | 44.6 | Very low | 207 Ų | 207 | 127.3 Ų | 127.3 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | | | trans | -140.4 | 84.6 | 158.7 | -14.9 | -84.8 | 0 | 0 | 0 | 106.8 | G60 S64 | G60-Y62 WeakPolarHBondContact O-CD2 3.43Å; G60-Y62 PolarHBondContact O-N 3.1Å; Y62-S64 PolarHBondContact O-N 3.13Å; Y62-S64 VanDerWaalsContact O-N 3.08Å |
| 63 | A | 45 | Very low | 44.9 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | | | trans | -69.5 | 104.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 64 | S | 40.7 | Very low | 44.8 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | | | trans | -65.1 | 144.1 | 163.3 | 45.9 | 0 | 0 | 0 | 0 | 108.7 | Y62 I66 | Y62-S64 PolarHBondContact O-N 3.13Å; Y62-S64 VanDerWaalsContact O-N 3.08Å; S64-I66 PolarHBondContact O-N 3.44Å |
| 65 | P | 43.3 | Very low | 45.6 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | | | trans | -58.3 | 134.8 | 178.3 | -17.9 | 29 | 0 | 0 | 0 | 109.4 | I67 | P65-I67 VanDerWaalsContact C-N 3.31Å; P65-I67 PolarHBondContact O-N 3.32Å |
| 66 | I | 52 | Low | 45.5 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | trans | -65.1 | 97.9 | 168.8 | -58.8 | 175.1 | 0 | 0 | 0 | 106.3 | S64 S68 | S64-I66 PolarHBondContact O-N 3.44Å; I66-S68 PolarHBondContact O-N 2.83Å |
| 67 | I | 50.7 | Low | 46 | Very low | 158 Ų | 158 | 126.8 Ų | 126.8 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | | | trans | -76.6 | 82.9 | 171 | -54.7 | -175.7 | 0 | 0 | 0 | 106.5 | P65 S69 | P65-I67 VanDerWaalsContact C-N 3.31Å; P65-I67 PolarHBondContact O-N 3.32Å; I67-S69 PolarHBondContact O-N 3.44Å |
| 68 | S | 45.1 | Very low | 45.9 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | trans | -78.3 | 105.8 | 169.1 | -172.4 | 0 | 0 | 0 | 0 | 108.7 | I66 | I66-S68 PolarHBondContact O-N 2.83Š|
| 69 | S | 39.8 | Very low | 45.6 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 57.9 | 116.3 | 153.7 | -147.2 | 0 | 0 | 0 | 0 | 119.3 | I67 | I67-S69 PolarHBondContact O-N 3.44Š|
| 70 | S | 48.8 | Very low | 45.9 | Very low | 89 Ų | 89 | 137.5 Ų | 137.5 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 63.8 | 82.8 | 136.5 | -48.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 71 | Y | 41.1 | Very low | 46.5 | Very low | 219 Ų | 219 | 141.9 Ų | 141.9 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | trans | 160.5 | 112.7 | 133.4 | -81.2 | -66.2 | 0 | 0 | 0 | 105.2 | N73 | Y71-N73 VanDerWaalsContact C-N 3.31Å; Y71-N73 PolarHBondContact O-N 3.1Å |
| 72 | K | 43.9 | Very low | 46.1 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 79% | 0.787 | 77% | 0.774 | S | S | * | * | | | trans | -61.9 | 89.9 | 179.8 | -72.1 | -98.6 | -172 | 174.8 | 0 | 109.3 | Y74 | K72-Y74 HydrophobicContact CB-CE2 4.28Å; K72-Y74 PolarHBondContact O-N 3.24Å |
| 73 | N | 43.6 | Very low | 46.8 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | | | trans | -73.7 | 102.4 | 161.2 | -91.7 | -59.7 | 0 | 0 | 0 | 106.9 | Y71 A75 | Y71-N73 VanDerWaalsContact C-N 3.31Å; Y71-N73 PolarHBondContact O-N 3.1Å; N73-A75 VanDerWaalsContact C-N 3.34Å; N73-A75 PolarHBondContact O-N 3.43Å |
| 74 | Y | 42.9 | Very low | 46.8 | Very low | 198 Ų | 198 | 141.8 Ų | 141.8 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | -65.1 | 98 | 168.4 | -65.5 | -84 | 0 | 0 | 0 | 107.6 | K72 V76 | K72-Y74 HydrophobicContact CB-CE2 4.28Å; K72-Y74 PolarHBondContact O-N 3.24Å; Y74-V76 PolarHBondContact O-N 3.25Å; Y74-V76 VanDerWaalsContact O-N 3.1Å |
| 75 | A | 51.6 | Low | 47.1 | Very low | 95 Ų | 95 | 143 Ų | 143 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | -67.5 | 108.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | N73 | N73-A75 VanDerWaalsContact C-N 3.34Å; N73-A75 PolarHBondContact O-N 3.43Å |
| 76 | V | 46.7 | Very low | 47.6 | Very low | 121 Ų | 121 | 143 Ų | 143 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 127.2 | 171.2 | 178.8 | 0 | 0 | 0 | 0 | 107.7 | Y74 Q78 | Y74-V76 PolarHBondContact O-N 3.25Å; Y74-V76 VanDerWaalsContact O-N 3.1Å; V76-Q78 PolarHBondContact O-N 3.31Å; V76-Q78 VanDerWaalsContact O-N 3.14Å |
| 77 | P | 48.5 | Very low | 47.6 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 62% | 0.623 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 117.9 | 173.6 | -20.4 | 32 | 0 | 0 | 0 | 109.8 | Y79 | P77-Y79 PolarHBondContact O-N 3.5Š|
| 78 | Q | 49 | Very low | 47.9 | Very low | 190 Ų | 190 | 142.4 Ų | 142.4 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 117.8 | 168.9 | -76.5 | -173.8 | -49.7 | 0 | 0 | 108.5 | V76 T80 | V76-Q78 PolarHBondContact O-N 3.31Å; V76-Q78 VanDerWaalsContact O-N 3.14Å; Q78-T80 PolarHBondContact O-N 3.42Å |
| 79 | Y | 37 | Very low | 47.7 | Very low | 206 Ų | 206 | 145.6 Ų | 145.6 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 119.8 | 170.8 | -63.6 | -81.8 | 0 | 0 | 0 | 108.9 | P77 T81 | P77-Y79 PolarHBondContact O-N 3.5Å; Y79-T81 PolarHBondContact O-N 3.41Å |
| 80 | T | 58.3 | Low | 48.2 | Very low | 126 Ų | 126 | 148.7 Ų | 148.7 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 129.8 | 172.3 | 21.3 | 0 | 0 | 0 | 0 | 110.2 | Q78 Y82 | Q78-T80 PolarHBondContact O-N 3.42Å; T80-Y82 PolarHBondContact O-N 3.2Å |
| 81 | T | 54.7 | Low | 48.5 | Very low | 140 Ų | 140 | 150.2 Ų | 150.2 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 121.1 | 175.4 | -57.2 | 0 | 0 | 0 | 0 | 110.6 | Y79 A83 | Y79-T81 PolarHBondContact O-N 3.41Å; T81-A83 PolarHBondContact O-N 3.41Å |
| 82 | Y | 42.3 | Very low | 49.2 | Very low | 208 Ų | 208 | 144.4 Ų | 144.4 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 122.3 | 173.8 | -65.9 | -81.9 | 0 | 0 | 0 | 109.9 | T80 T84 | T80-Y82 PolarHBondContact O-N 3.2Å; Y82-T84 PolarHBondContact O-N 3.26Å |
| 83 | A | 58 | Low | 49.4 | Very low | 98 Ų | 98 | 143.3 Ų | 143.3 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69 | 120.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | T81 | T81-A83 PolarHBondContact O-N 3.41Š|
| 84 | T | 44.3 | Very low | 49.9 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 128.5 | 175.4 | 44.1 | 0 | 0 | 0 | 0 | 109.6 | Y82 S86 | Y82-T84 PolarHBondContact O-N 3.26Å; T84-S86 PolarHBondContact O-N 2.87Å |
| 85 | P | 48.6 | Very low | 49.8 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 129.5 | 178.4 | 23.2 | -29.2 | 0 | 0 | 0 | 110.3 | | |
| 86 | S | 53 | Low | 49.1 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 126.6 | 172.3 | 58.9 | 0 | 0 | 0 | 0 | 109.8 | T84 | T84-S86 PolarHBondContact O-N 2.87Š|
| 87 | R | 52.7 | Low | 48.9 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 68% | 0.683 | 78% | 0.783 | S | S | * | * | | | trans | -92.9 | 109.2 | 169.2 | -67.5 | -173.7 | 74.7 | -148.1 | 7.1 | 108.6 | Y89 | R87-Y89 HydrophobicContact CB-CD2 4.46Å; R87-Y89 HydrophobicContact CB-CE2 3.96Å; R87-Y89 VanDerWaalsContact NH1-CE1 3.26Å; R87-Y89 PolarHBondContact NH1-OH 3Å; R87-Y89 WeakPolarHBondContact O-CD2 3.34Å; R87-Y89 PolarHBondContact O-N 3.37Å |
| 88 | T | 56 | Low | 48.7 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | trans | -74.9 | 107.6 | 164.9 | -56.3 | 0 | 0 | 0 | 0 | 108 | | |
| 89 | Y | 41.2 | Very low | 48.1 | Very low | 168 Ų | 168 | 141 Ų | 141 | 66% | 0.659 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 123.1 | 171.5 | -65.7 | -89 | 0 | 0 | 0 | 108.7 | R87 | R87-Y89 HydrophobicContact CB-CD2 4.46Å; R87-Y89 HydrophobicContact CB-CE2 3.96Å; R87-Y89 VanDerWaalsContact NH1-CE1 3.26Å; R87-Y89 PolarHBondContact NH1-OH 3Å; R87-Y89 WeakPolarHBondContact O-CD2 3.34Å; R87-Y89 PolarHBondContact O-N 3.37Å |
| 90 | L | 49.7 | Very low | 48.4 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 138.3 | 167.8 | -69.3 | 122.8 | 0 | 0 | 0 | 108.6 | A92 | L90-A92 PolarHBondContact O-N 3.04Š|
| 91 | P | 54.9 | Low | 47.5 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 138.6 | 175.7 | 24.1 | -31.8 | 0 | 0 | 0 | 109.8 | N93 | P91-N93 PolarHBondContact O-N 3.28Š|
| 92 | A | 56.3 | Low | 46.6 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -57 | 125.7 | 174 | 0 | 0 | 0 | 0 | 0 | 108.7 | L90 A94 | L90-A92 PolarHBondContact O-N 3.04Å; A92-A94 VanDerWaalsContact C-N 3.35Å; A92-A94 PolarHBondContact O-N 3.44Å |
| 93 | N | 48 | Very low | 46.7 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | | | trans | -61.5 | 97.5 | 175.6 | -173.5 | 68.3 | 0 | 0 | 0 | 108.4 | P91 G95 | P91-N93 PolarHBondContact O-N 3.28Å; N93-G95 PolarHBondContact O-N 2.95Å |
| 94 | A | 54.8 | Low | 45.7 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | | | trans | -73.4 | 65.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | A92 Y96 | A92-A94 VanDerWaalsContact C-N 3.35Å; A92-A94 PolarHBondContact O-N 3.44Å; A94-Y96 PolarHBondContact O-N 3.1Å |
| 95 | G | 39.5 | Very low | 45.9 | Very low | 58 Ų | 58 | 138.2 Ų | 138.2 | 60% | 0.598 | 78% | 0.783 | S | S | * | * | | | trans | -79.5 | 66.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | N93 T97 | N93-G95 PolarHBondContact O-N 2.95Å; G95-T97 PolarHBondContact O-N 3.42Å |
| 96 | Y | 38.5 | Very low | 45.8 | Very low | 221 Ų | 221 | 138.1 Ų | 138.1 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | | | trans | -92.5 | 81 | 165.8 | -123.6 | -91.2 | 0 | 0 | 0 | 107.9 | A94 | A94-Y96 PolarHBondContact O-N 3.1Š|
| 97 | T | 42 | Very low | 45.2 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | -86.7 | 118.6 | 159.9 | -176.2 | 0 | 0 | 0 | 0 | 107.1 | G95 | G95-T97 PolarHBondContact O-N 3.42Š|
| 98 | G | 43 | Very low | 44.8 | Very low | 60 Ų | 60 | 136.9 Ų | 136.9 | 62% | 0.619 | 79% | 0.787 | S | S | * | * | | | trans | -57.5 | 135.6 | -163.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 99 | Y | 37 | Very low | 44.6 | Very low | 237 Ų | 237 | 138.9 Ų | 138.9 | 93% | 0.929 | 79% | 0.793 | S | S | * | * | | | trans | -117.9 | 126.3 | 148.7 | -122.9 | -93.8 | 0 | 0 | 0 | 109.3 | | |
| 100 | S | 43 | Very low | 44.8 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -58.3 | 139.5 | -175.7 | -178.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 101 | G | 39.8 | Very low | 44.9 | Very low | 59 Ų | 59 | 133.5 Ų | 133.5 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | | | trans | 82.8 | 102.6 | 151 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 102 | Y | 36.4 | Very low | 44.8 | Very low | 237 Ų | 237 | 132.7 Ų | 132.7 | 93% | 0.929 | 78% | 0.777 | S | S | * | * | | | | -178.2 | 131 | 101 | -110.2 | -96.1 | 0 | 0 | 0 | 109.2 | | |
| 103 | S | 43.8 | Very low | 44.7 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 88% | 0.881 | 76% | 0.761 | S | S | * | * | | | trans | -40.3 | 129.3 | 166 | 170.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 104 | G | 37.9 | Very low | 45.1 | Very low | 59 Ų | 59 | 131.3 Ų | 131.3 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | | | trans | 161.3 | 73.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S106 | G104-S106 VanDerWaalsContact C-N 3.26Å; G104-S106 PolarHBondContact O-N 2.97Å |
| 105 | Y | 48.8 | Very low | 44.7 | Very low | 251 Ų | 251 | 134.5 Ų | 134.5 | 98% | 0.984 | 74% | 0.744 | S | S | * | * | | | trans | -59.4 | 98.4 | 144.6 | -106.2 | -93.6 | 0 | 0 | 0 | 107 | | |
| 106 | S | 46.3 | Very low | 45.4 | Very low | 122 Ų | 122 | 133 Ų | 133 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | | | trans | -169.6 | 123.3 | 165.6 | -168 | 0 | 0 | 0 | 0 | 110.1 | G104 | G104-S106 VanDerWaalsContact C-N 3.26Å; G104-S106 PolarHBondContact O-N 2.97Å |
| 107 | G | 39.6 | Very low | 46.3 | Very low | 71 Ų | 71 | 128.9 Ų | 128.9 | 73% | 0.732 | 73% | 0.733 | S | S | * | * | | | trans | 130.1 | 72.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 108 | Y | 45 | Very low | 47 | Very low | 195 Ų | 195 | 130.7 Ų | 130.7 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | | | trans | -42.7 | 140.5 | 148.3 | -84.3 | -93.5 | 0 | 0 | 0 | 110.8 | | |
| 109 | N | 50.9 | Low | 47.6 | Very low | 170 Ų | 170 | 131.1 Ų | 131.1 | 91% | 0.909 | 74% | 0.742 | S | S | * | * | | | trans | 172.2 | 44.7 | 131.7 | -79.9 | -36.8 | 0 | 0 | 0 | 110.9 | | |
| 110 | G | 45.9 | Very low | 48.3 | Very low | 55 Ų | 55 | 121.6 Ų | 121.6 | 57% | 0.567 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -105.9 | 122.6 | 155.8 | 0 | 0 | 0 | 0 | 0 | 105.6 | D112 | G110-D112 PolarHBondContact O-N 3.43Š|
| 111 | L | 52.1 | Low | 48.7 | Very low | 158 Ų | 158 | 122 Ų | 122 | 83% | 0.827 | 70% | 0.701 | S | S | * | * | | | trans | -51.1 | 106.5 | 174.2 | -66.4 | 162.9 | 0 | 0 | 0 | 107.7 | T113 | L111-T113 PolarHBondContact O-N 3.17Å; L111-T113 PolarHBondContact O-OG1 3.46Å |
| 112 | D | 52.5 | Low | 49.3 | Very low | 103 Ų | 103 | 124.1 Ų | 124.1 | 55% | 0.551 | 70% | 0.701 | S | S | * | * | | | trans | -66.5 | 81 | 172.4 | -81 | -17.2 | 0 | 0 | 0 | 106.6 | G110 K114 | G110-D112 PolarHBondContact O-N 3.43Å; D112-K114 HydrophobicContact CB-CG 4.33Å; D112-K114 PolarHBondContact O-N 3.03Å |
| 113 | T | 54.6 | Low | 49.9 | Very low | 75 Ų | 75 | 126.3 Ų | 126.3 | 46% | 0.46 | 71% | 0.71 | S | S | . | * | | | trans | -71.4 | 81.2 | 172.3 | -4.7 | 0 | 0 | 0 | 0 | 107.6 | L111 Y115 Y121 | L111-T113 PolarHBondContact O-N 3.17Å; L111-T113 PolarHBondContact O-OG1 3.46Å; T113-Y115 PolarHBondContact O-N 3.39Å; T113-Y121 HydrophobicContact CG2-CD1 3.23Å; T113-Y121 HydrophobicContact CG2-CE1 4.01Å; T113-Y121 HydrophobicContact CG2-CG 3.72Å |
| 114 | K | 55.1 | Low | 50.2 | Low | 152 Ų | 152 | 126.3 Ų | 126.3 | 66% | 0.661 | 70% | 0.701 | S | S | * | * | | | trans | -68.3 | 118.7 | 172 | -61.2 | 179.9 | -172.4 | 178.6 | 0 | 106.2 | D112 G116 | D112-K114 HydrophobicContact CB-CG 4.33Å; D112-K114 PolarHBondContact O-N 3.03Å; K114-G116 PolarHBondContact O-N 2.99Å |
| 115 | Y | 46.7 | Very low | 50.9 | Low | 164 Ų | 164 | 129.8 Ų | 129.8 | 64% | 0.643 | 71% | 0.706 | S | S | * | * | B | Isolated β-bridge | trans | -62.1 | 112 | 171.6 | -76.7 | -84.8 | 0 | 0 | 0 | 108.4 | T113 Y121 | T113-Y115 PolarHBondContact O-N 3.39Å; Y115-Y121 HydrophobicContact CD1-CD1 4.37Å; Y115-Y121 AromaticContact CD1-CE1 3.92Å; Y115-Y121 HydrophobicContact CD1-CE1 3.92Å; Y115-Y121 HydrophobicContact CE1-CD1 4.18Å; Y115-Y121 AromaticContact CE1-CE1 3.32Å; Y115-Y121 HydrophobicContact CE1-CE1 3.32Å; Y115-Y121 AromaticContact CE1-CZ 3.58Å; Y115-Y121 WeakPolarHBondContact CE1-OH 3.47Å; Y115-Y121 HydrophobicContact CE2-CE1 4.12Å; Y115-Y121 AromaticContact CZ-CE1 3.45Å; Y115-Y121 VanDerWaalsContact CZ-CE1 3.45Å; Y115-Y121 AromaticContact CZ-CZ 3.79Å; Y115-Y121 PolarHBondContact OH-OH 3.39Å |
| 116 | G | 55.3 | Low | 51 | Low | 27 Ų | 27 | 123.1 Ų | 123.1 | 28% | 0.278 | 69% | 0.691 | S | S | . | * | | | trans | -64.7 | 142.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109 | K114 N118 G119 G120 | K114-G116 PolarHBondContact O-N 2.99Å; G116-N118 PolarHBondContact O-N 3.01Å; G116-G119 PolarHBondContact O-N 3.45Å; G116-G120 PolarHBondContact N-O 3.48Å |
| 117 | S | 57.3 | Low | 51.3 | Low | 135 Ų | 135 | 123.2 Ų | 123.2 | 94% | 0.944 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -6.1 | -176.1 | -41 | 0 | 0 | 0 | 0 | 114.7 | | |
| 118 | N | 57.3 | Low | 52 | Low | 171 Ų | 171 | 126.4 Ų | 126.4 | 91% | 0.914 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 10.9 | 171.7 | -81.5 | -68.4 | 0 | 0 | 0 | 113.9 | G116 G120 | G116-N118 PolarHBondContact O-N 3.01Å; N118-G120 VanDerWaalsContact C-N 3.32Å; N118-G120 PolarHBondContact O-N 3.4Å |
| 119 | G | 55.3 | Low | 52.5 | Low | 69 Ų | 69 | 121.9 Ų | 121.9 | 71% | 0.711 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 77 | 11.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | G116 | G116-G119 PolarHBondContact O-N 3.45Š|
| 120 | G | 50.7 | Low | 52.6 | Low | 38 Ų | 38 | 118.4 Ų | 118.4 | 39% | 0.392 | 66% | 0.655 | S | S | . | * | | | trans | -105.1 | 143.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | G116 N118 | G116-G120 PolarHBondContact N-O 3.48Å; N118-G120 VanDerWaalsContact C-N 3.32Å; N118-G120 PolarHBondContact O-N 3.4Å |
| 121 | Y | 51.7 | Low | 53.1 | Low | 126 Ų | 126 | 123.3 Ų | 123.3 | 49% | 0.494 | 66% | 0.662 | S | S | . | * | B | Isolated β-bridge | trans | -71.4 | 131.6 | 166.6 | -62.7 | -67.5 | 0 | 0 | 0 | 109.3 | T113 Y115 | T113-Y121 HydrophobicContact CG2-CD1 3.23Å; T113-Y121 HydrophobicContact CG2-CE1 4.01Å; T113-Y121 HydrophobicContact CG2-CG 3.72Å; Y115-Y121 HydrophobicContact CD1-CD1 4.37Å; Y115-Y121 AromaticContact CD1-CE1 3.92Å; Y115-Y121 HydrophobicContact CD1-CE1 3.92Å; Y115-Y121 HydrophobicContact CE1-CD1 4.18Å; Y115-Y121 AromaticContact CE1-CE1 3.32Å; Y115-Y121 HydrophobicContact CE1-CE1 3.32Å; Y115-Y121 AromaticContact CE1-CZ 3.58Å; Y115-Y121 WeakPolarHBondContact CE1-OH 3.47Å; Y115-Y121 HydrophobicContact CE2-CE1 4.12Å; Y115-Y121 AromaticContact CZ-CE1 3.45Å; Y115-Y121 VanDerWaalsContact CZ-CE1 3.45Å; Y115-Y121 AromaticContact CZ-CZ 3.79Å; Y115-Y121 PolarHBondContact OH-OH 3.39Å |
| 122 | V | 51.9 | Low | 53.2 | Low | 102 Ų | 102 | 120.4 Ų | 120.4 | 62% | 0.618 | 65% | 0.648 | S | S | * | * | | | trans | -99.3 | 126.1 | 170.1 | -175.1 | 0 | 0 | 0 | 0 | 107.2 | | |
| 123 | Y | 49.9 | Very low | 53.3 | Low | 283 Ų | 283 | 122 Ų | 122 | 100% | 1.11 | 66% | 0.657 | S | S | * | * | | | trans | -73.1 | 0 | 176.2 | -34.3 | -85.4 | 0 | 0 | 0 | 111 | | |