| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.8 | Low | 53.1 | Low | 222 Ų | 222 | 137 Ų | 137 | 100% | 1.094 | 67% | 0.666 | S | S | * | * | 0 | -27.7 | 0 | -73.1 | 169.3 | 73.4 | 0 | 0 | 114.6 | I3 | M1-I3 PolarHBondContact O-N 3.14Š| |||
| 2 | W | 50 | Low | 53.3 | Low | 234 Ų | 234 | 134.8 Ų | 134.8 | 89% | 0.886 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66 | -33.2 | -174.7 | -89.9 | 10.7 | 0 | 0 | 0 | 117.2 | F4 S5 | W2-F4 VanDerWaalsContact C-N 3.3Å; W2-F4 PolarHBondContact O-N 3.08Å; W2-S5 WeakPolarHBondContact O-CB 3.03Å; W2-S5 PolarHBondContact O-N 3.29Å |
| 3 | I | 54.1 | Low | 53.1 | Low | 138 Ų | 138 | 131.2 Ų | 131.2 | 71% | 0.708 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -60.5 | -37.4 | -174.9 | -65.5 | 170.2 | 0 | 0 | 0 | 112.6 | M1 S5 W6 L7 | M1-I3 PolarHBondContact O-N 3.14Å; I3-S5 VanDerWaalsContact C-N 3.31Å; I3-S5 PolarHBondContact O-N 2.91Å; I3-W6 PolarHBondContact O-N 2.83Å; I3-L7 HydrophobicContact CG2-CD1 4.48Å; I3-L7 PolarHBondContact O-N 2.64Å |
| 4 | F | 49.3 | Very low | 52.4 | Low | 159 Ų | 159 | 128.7 Ų | 128.7 | 70% | 0.697 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65 | -31.7 | 176.3 | -77.4 | -82.8 | 0 | 0 | 0 | 113.1 | W2 L7 C8 | W2-F4 VanDerWaalsContact C-N 3.3Å; W2-F4 PolarHBondContact O-N 3.08Å; F4-L7 PolarHBondContact O-N 3.49Å; F4-C8 PolarHBondContact O-N 3.18Å; F4-C8 PolarHBondContact O-SG 3.09Å; F4-C8 VanDerWaalsContact O-SG 3.33Å |
| 5 | S | 58.8 | Low | 51.9 | Low | 73 Ų | 73 | 124.5 Ų | 124.5 | 51% | 0.51 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -63.6 | -45 | 178.8 | -173.4 | 0 | 0 | 0 | 0 | 111.6 | W2 I3 C8 V9 | W2-S5 WeakPolarHBondContact O-CB 3.03Å; W2-S5 PolarHBondContact O-N 3.29Å; I3-S5 VanDerWaalsContact C-N 3.31Å; I3-S5 PolarHBondContact O-N 2.91Å; S5-C8 PolarHBondContact O-N 2.8Å; S5-V9 WeakPolarHBondContact O-CG2 3.49Å; S5-V9 PolarHBondContact O-N 2.9Å |
| 6 | W | 52.3 | Low | 51.5 | Low | 216 Ų | 216 | 123.4 Ų | 123.4 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.4 | -38.4 | 177.5 | -114.1 | 13.8 | 0 | 0 | 0 | 112.5 | I3 V9 L10 | I3-W6 PolarHBondContact O-N 2.83Å; W6-V9 PolarHBondContact O-N 3.15Å; W6-L10 WeakPolarHBondContact O-CB 3.38Å; W6-L10 PolarHBondContact O-N 2.84Å |
| 7 | L | 54.5 | Low | 50.8 | Low | 96 Ų | 96 | 122.5 Ų | 122.5 | 50% | 0.503 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -61.5 | -41.9 | 173.2 | -102.5 | 154.7 | 0 | 0 | 0 | 112.4 | I3 F4 L10 L11 | I3-L7 HydrophobicContact CG2-CD1 4.48Å; I3-L7 PolarHBondContact O-N 2.64Å; F4-L7 PolarHBondContact O-N 3.49Å; L7-L10 PolarHBondContact O-N 3.38Å; L7-L11 WeakPolarHBondContact O-CB 3.3Å; L7-L11 WeakPolarHBondContact O-CG 3.49Å; L7-L11 PolarHBondContact O-N 2.86Å |
| 8 | C | 52.3 | Low | 50.1 | Low | 71 Ų | 71 | 123.6 Ų | 123.6 | 48% | 0.48 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -62.8 | -43.5 | 173.6 | -70.1 | 0 | 0 | 0 | 0 | 112.3 | F4 S5 L10 L11 I12 | F4-C8 PolarHBondContact O-N 3.18Å; F4-C8 PolarHBondContact O-SG 3.09Å; F4-C8 VanDerWaalsContact O-SG 3.33Å; S5-C8 PolarHBondContact O-N 2.8Å; C8-L10 PolarHBondContact O-N 3.5Å; C8-L11 PolarHBondContact O-N 3.44Å; C8-I12 WeakPolarHBondContact O-CB 3.18Å; C8-I12 WeakPolarHBondContact O-CD1 3.41Å; C8-I12 VanDerWaalsContact O-CG1 3.23Å; C8-I12 WeakPolarHBondContact O-CG1 3.18Å; C8-I12 PolarHBondContact O-N 2.75Å |
| 9 | V | 56.7 | Low | 49.5 | Very low | 78 Ų | 78 | 123.2 Ų | 123.2 | 47% | 0.473 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -62.8 | -42.4 | 176.6 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | S5 W6 I12 V13 | S5-V9 WeakPolarHBondContact O-CG2 3.49Å; S5-V9 PolarHBondContact O-N 2.9Å; W6-V9 PolarHBondContact O-N 3.15Å; V9-I12 PolarHBondContact O-N 3.39Å; V9-V13 WeakPolarHBondContact O-CG2 3.44Å; V9-V13 PolarHBondContact O-N 2.69Å |
| 10 | L | 53.8 | Low | 48.8 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 58% | 0.581 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.3 | -39.1 | 179.7 | -130.6 | 158.7 | 0 | 0 | 0 | 112 | W6 L7 C8 V13 L14 | W6-L10 WeakPolarHBondContact O-CB 3.38Å; W6-L10 PolarHBondContact O-N 2.84Å; L7-L10 PolarHBondContact O-N 3.38Å; C8-L10 PolarHBondContact O-N 3.5Å; L10-V13 PolarHBondContact O-N 3.04Å; L10-L14 HydrophobicContact CD2-CD1 4.11Å; L10-L14 HydrophobicContact CD2-CG 4.45Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 3.38Å |
| 11 | L | 52 | Low | 48.3 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 57% | 0.571 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.5 | -37.8 | 173.1 | -74.1 | 167.7 | 0 | 0 | 0 | 112.6 | L7 C8 L14 A15 | L7-L11 WeakPolarHBondContact O-CB 3.3Å; L7-L11 WeakPolarHBondContact O-CG 3.49Å; L7-L11 PolarHBondContact O-N 2.86Å; C8-L11 PolarHBondContact O-N 3.44Å; L11-L14 PolarHBondContact O-N 3.12Å; L11-A15 WeakPolarHBondContact O-CB 3.35Å; L11-A15 PolarHBondContact O-N 3.5Å |
| 12 | I | 55.2 | Low | 47.6 | Very low | 111 Ų | 111 | 117.9 Ų | 117.9 | 57% | 0.569 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.2 | -41.5 | 174.7 | -70.8 | 163.8 | 0 | 0 | 0 | 110.9 | C8 V9 L14 A15 V16 | C8-I12 WeakPolarHBondContact O-CB 3.18Å; C8-I12 WeakPolarHBondContact O-CD1 3.41Å; C8-I12 VanDerWaalsContact O-CG1 3.23Å; C8-I12 WeakPolarHBondContact O-CG1 3.18Å; C8-I12 PolarHBondContact O-N 2.75Å; V9-I12 PolarHBondContact O-N 3.39Å; I12-L14 PolarHBondContact O-N 2.94Å; I12-A15 PolarHBondContact O-N 2.82Å; I12-V16 WeakPolarHBondContact O-CG2 3.47Å; I12-V16 PolarHBondContact O-N 2.77Å |
| 13 | V | 51.1 | Low | 46.7 | Very low | 87 Ų | 87 | 110.1 Ų | 110.1 | 53% | 0.527 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.2 | -42.7 | 175.5 | 169.2 | 0 | 0 | 0 | 0 | 111.2 | V9 L10 V16 T17 | V9-V13 WeakPolarHBondContact O-CG2 3.44Å; V9-V13 PolarHBondContact O-N 2.69Å; L10-V13 PolarHBondContact O-N 3.04Å; V13-V16 PolarHBondContact O-N 3.1Å; V13-T17 PolarHBondContact O-N 3.3Å; V13-T17 PolarHBondContact O-OG1 3.32Å |
| 14 | L | 43.2 | Very low | 45.6 | Very low | 97 Ų | 97 | 113.1 Ų | 113.1 | 51% | 0.508 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.5 | -42.7 | 176.2 | -72.5 | 167.7 | 0 | 0 | 0 | 112.4 | L10 L11 I12 V16 T17 D18 | L10-L14 HydrophobicContact CD2-CD1 4.11Å; L10-L14 HydrophobicContact CD2-CG 4.45Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 3.38Å; L11-L14 PolarHBondContact O-N 3.12Å; I12-L14 PolarHBondContact O-N 2.94Å; L14-V16 VanDerWaalsContact C-N 3.26Å; L14-V16 PolarHBondContact O-N 2.92Å; L14-T17 WeakPolarHBondContact CA-OG1 3.3Å; L14-T17 PolarHBondContact O-N 3.15Å; L14-T17 PolarHBondContact O-OG1 2.84Å; L14-D18 PolarHBondContact O-N 2.85Å |
| 15 | A | 44.4 | Very low | 44.8 | Very low | 65 Ų | 65 | 111.5 Ų | 111.5 | 54% | 0.537 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -63.9 | -27.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L11 I12 | L11-A15 WeakPolarHBondContact O-CB 3.35Å; L11-A15 PolarHBondContact O-N 3.5Å; I12-A15 PolarHBondContact O-N 2.82Å |
| 16 | V | 45.1 | Very low | 43.5 | Very low | 108 Ų | 108 | 114.1 Ų | 114.1 | 66% | 0.655 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -77.9 | -25.4 | 173.6 | 171.3 | 0 | 0 | 0 | 0 | 112.1 | I12 V13 L14 | I12-V16 WeakPolarHBondContact O-CG2 3.47Å; I12-V16 PolarHBondContact O-N 2.77Å; V13-V16 PolarHBondContact O-N 3.1Å; L14-V16 VanDerWaalsContact C-N 3.26Å; L14-V16 PolarHBondContact O-N 2.92Å |
| 17 | T | 40 | Very low | 42.4 | Very low | 108 Ų | 108 | 109.8 Ų | 109.8 | 66% | 0.663 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -82 | -14.3 | 174.4 | 49.7 | 0 | 0 | 0 | 0 | 114.7 | V13 L14 | V13-T17 PolarHBondContact O-N 3.3Å; V13-T17 PolarHBondContact O-OG1 3.32Å; L14-T17 WeakPolarHBondContact CA-OG1 3.3Å; L14-T17 PolarHBondContact O-N 3.15Å; L14-T17 PolarHBondContact O-OG1 2.84Å |
| 18 | D | 37.4 | Very low | 41.2 | Very low | 141 Ų | 141 | 112.9 Ų | 112.9 | 75% | 0.754 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 21.5 | -175.7 | -147.1 | 21 | 0 | 0 | 0 | 113.1 | L14 D20 | L14-D18 PolarHBondContact O-N 2.85Å; D18-D20 PolarHBondContact O-N 3.31Å |
| 19 | V | 39.1 | Very low | 40.1 | Very low | 117 Ų | 117 | 113.9 Ų | 113.9 | 71% | 0.709 | 66% | 0.662 | S | S | * | * | trans | -80.3 | 76 | 168 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | A21 | V19-A21 PolarHBondContact O-N 2.94Š| ||
| 20 | D | 36.7 | Very low | 38.9 | Very low | 140 Ų | 140 | 117.6 Ų | 117.6 | 75% | 0.749 | 67% | 0.672 | S | S | * | * | trans | -61.4 | 134.3 | 172.6 | -157.2 | -4.7 | 0 | 0 | 0 | 109.6 | D18 V22 | D18-D20 PolarHBondContact O-N 3.31Å; D20-V22 PolarHBondContact O-N 2.83Å | ||
| 21 | A | 37.6 | Very low | 37.7 | Very low | 88 Ų | 88 | 121.7 Ų | 121.7 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -80.6 | 82.4 | -167 | 0 | 0 | 0 | 0 | 0 | 110.5 | V19 A23 | V19-A21 PolarHBondContact O-N 2.94Å; A21-A23 VanDerWaalsContact C-N 3.29Å; A21-A23 PolarHBondContact O-N 2.96Å | ||
| 22 | V | 35.3 | Very low | 36.9 | Very low | 129 Ų | 129 | 121.5 Ų | 121.5 | 78% | 0.782 | 69% | 0.689 | S | S | * | * | trans | -62.2 | 87.5 | 178.6 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | D20 K24 | D20-V22 PolarHBondContact O-N 2.83Å; V22-K24 PolarHBondContact O-N 2.85Å; V22-K24 VanDerWaalsContact O-N 3.16Å | ||
| 23 | A | 32.7 | Very low | 35.8 | Very low | 71 Ų | 71 | 126.2 Ų | 126.2 | 59% | 0.587 | 71% | 0.705 | S | S | * | * | trans | -62.7 | 113.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | A21 T25 | A21-A23 VanDerWaalsContact C-N 3.29Å; A21-A23 PolarHBondContact O-N 2.96Å; A23-T25 VanDerWaalsContact C-N 3.31Å; A23-T25 PolarHBondContact O-N 2.88Å | ||
| 24 | K | 30.8 | Very low | 34.8 | Very low | 201 Ų | 201 | 130.9 Ų | 130.9 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | trans | -70.2 | 87 | 176.7 | -69.6 | -175.6 | 179.3 | -179.2 | 0 | 110 | V22 T26 | V22-K24 PolarHBondContact O-N 2.85Å; V22-K24 VanDerWaalsContact O-N 3.16Å; K24-T26 PolarHBondContact O-N 2.93Å | ||
| 25 | T | 32 | Very low | 34.4 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 77% | 0.767 | 73% | 0.732 | S | S | * | * | trans | -65.3 | 111.4 | 171.2 | 51.4 | 0 | 0 | 0 | 0 | 109.7 | A23 | A23-T25 VanDerWaalsContact C-N 3.31Å; A23-T25 PolarHBondContact O-N 2.88Å | ||
| 26 | T | 31 | Very low | 33.8 | Very low | 127 Ų | 127 | 137 Ų | 137 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 141.4 | 165.8 | 42.6 | 0 | 0 | 0 | 0 | 110.1 | K24 | K24-T26 PolarHBondContact O-N 2.93Š|
| 27 | P | 30.7 | Very low | 33 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 156.1 | -178.8 | 27 | -34.3 | 0 | 0 | 0 | 113 | ||
| 28 | Y | 28.5 | Very low | 32.5 | Very low | 161 Ų | 161 | 140.1 Ų | 140.1 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 127.3 | -163.4 | -178.6 | -116.9 | 0 | 0 | 0 | 114.1 | K30 | Y28-K30 HydrophobicContact CD1-CG 3.86Å; Y28-K30 HydrophobicContact CE1-CD 4.13Å; Y28-K30 HydrophobicContact CE1-CG 3.36Å |
| 29 | S | 29.2 | Very low | 32 | Very low | 92 Ų | 92 | 141.7 Ų | 141.7 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | trans | -108.3 | 103.6 | 174.2 | 49 | 0 | 0 | 0 | 0 | 111.8 | F31 | S29-F31 PolarHBondContact O-N 2.95Å; S29-F31 VanDerWaalsContact O-N 3.08Å | ||
| 30 | K | 32.2 | Very low | 31.5 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | -69.5 | 101.2 | 177.5 | -73.6 | -175.2 | 176.6 | 180 | 0 | 112 | Y28 T32 | Y28-K30 HydrophobicContact CD1-CG 3.86Å; Y28-K30 HydrophobicContact CE1-CD 4.13Å; Y28-K30 HydrophobicContact CE1-CG 3.36Å; K30-T32 PolarHBondContact O-N 3.02Å | ||
| 31 | F | 28.5 | Very low | 31.1 | Very low | 197 Ų | 197 | 145.1 Ų | 145.1 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -96.7 | 73.6 | 164.7 | -90.6 | -81 | 0 | 0 | 0 | 111.8 | S29 K33 | S29-F31 PolarHBondContact O-N 2.95Å; S29-F31 VanDerWaalsContact O-N 3.08Å; F31-K33 PolarHBondContact O-N 2.81Å; F31-K33 VanDerWaalsContact O-N 3.16Å | ||
| 32 | T | 34.8 | Very low | 30.5 | Very low | 105 Ų | 105 | 150.5 Ų | 150.5 | 64% | 0.644 | 79% | 0.786 | S | S | * | * | trans | -75 | 100 | 169.9 | 51.9 | 0 | 0 | 0 | 0 | 110.2 | K30 K34 | K30-T32 PolarHBondContact O-N 3.02Å; T32-K34 PolarHBondContact O-N 2.82Å | ||
| 33 | K | 31 | Very low | 30.1 | Very low | 209 Ų | 209 | 148 Ų | 148 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -65.7 | 110.9 | 174.5 | -159.4 | 178.3 | -172.3 | -178.6 | 0 | 109.5 | F31 | F31-K33 PolarHBondContact O-N 2.81Å; F31-K33 VanDerWaalsContact O-N 3.16Å | ||
| 34 | K | 31.7 | Very low | 29.8 | Very low | 186 Ų | 186 | 152.8 Ų | 152.8 | 81% | 0.809 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 145.4 | 171.1 | -74.6 | -175.6 | 176 | -178.9 | 0 | 109.8 | T32 | T32-K34 PolarHBondContact O-N 2.82Š|
| 35 | P | 33.5 | Very low | 29.5 | Very low | 123 Ų | 123 | 152 Ų | 152 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 136.5 | 166.2 | 31.5 | -32.6 | 0 | 0 | 0 | 110.1 | G37 | P35-G37 PolarHBondContact O-N 2.88Š|
| 36 | D | 31.4 | Very low | 29.5 | Very low | 167 Ų | 167 | 152 Ų | 152 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72 | 124.2 | 175.5 | -82 | -51.5 | 0 | 0 | 0 | 111.6 | ||
| 37 | G | 28.3 | Very low | 29.7 | Very low | 75 Ų | 75 | 150.2 Ų | 150.2 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -80.2 | 115.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | P35 E39 | P35-G37 PolarHBondContact O-N 2.88Å; G37-E39 PolarHBondContact O-N 2.86Å | ||
| 38 | K | 30.7 | Very low | 29.6 | Very low | 206 Ų | 206 | 152.1 Ų | 152.1 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | trans | -86 | 98.8 | -178.9 | -160.1 | 172.7 | -169.2 | 174.6 | 0 | 110.6 | ||||
| 39 | E | 27.3 | Very low | 29.4 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -59.3 | 137.9 | 172.3 | -72.9 | -167.1 | 110.1 | 0 | 0 | 111.8 | G37 | G37-E39 PolarHBondContact O-N 2.86Š| ||
| 40 | M | 28.6 | Very low | 29.3 | Very low | 191 Ų | 191 | 152.8 Ų | 152.8 | 94% | 0.941 | 81% | 0.808 | S | S | * | * | trans | -132.7 | 123.6 | 156.3 | -87.2 | -166.6 | 148 | 0 | 0 | 108.2 | ||||
| 41 | L | 27.3 | Very low | 29 | Very low | 138 Ų | 138 | 149.6 Ų | 149.6 | 72% | 0.723 | 81% | 0.805 | S | S | * | * | trans | -124.1 | 139.4 | -171.4 | -165.8 | 80.5 | 0 | 0 | 0 | 111.9 | ||||
| 42 | K | 26.2 | Very low | 29 | Very low | 201 Ų | 201 | 148.1 Ų | 148.1 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | 94.7 | 125.6 | 167.5 | -54.9 | 175.7 | -179.7 | 174.5 | 0 | 116.4 | ||||
| 43 | G | 25.5 | Very low | 28.7 | Very low | 76 Ų | 76 | 149.3 Ų | 149.3 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | 168.3 | 40.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 44 | L | 26.6 | Very low | 28.8 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | trans | 35.1 | 106 | 155.7 | -69.1 | 162.5 | 0 | 0 | 0 | 121.6 | ||||
| 45 | K | 25.1 | Very low | 28.7 | Very low | 186 Ų | 186 | 147.2 Ų | 147.2 | 81% | 0.809 | 81% | 0.809 | S | S | * | * | trans | 10.5 | 136.5 | 141.4 | -158.7 | 175.3 | -171.3 | 178.6 | 0 | 121 | ||||
| 46 | P | 31.4 | Very low | 28.5 | Very low | 125 Ų | 125 | 149.4 Ų | 149.4 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | -123.8 | 175.9 | 118.9 | 24.1 | -8 | 0 | 0 | 0 | 113.3 | |||||
| 47 | P | 35.9 | Very low | 28.3 | Very low | 89 Ų | 89 | 146.1 Ų | 146.1 | 58% | 0.578 | 80% | 0.795 | S | S | * | * | trans | -115.8 | -177.1 | -161.6 | 43.2 | -35.3 | 0 | 0 | 0 | 117.1 | ||||
| 48 | N | 27.8 | Very low | 28.2 | Very low | 166 Ų | 166 | 150.1 Ų | 150.1 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | 88 | 136.8 | 164 | -57.7 | -10.4 | 0 | 0 | 0 | 118.6 | ||||
| 49 | G | 25.4 | Very low | 28.1 | Very low | 68 Ų | 68 | 148.6 Ų | 148.6 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | 139.1 | 91 | 151.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 50 | F | 25.2 | Very low | 28 | Very low | 199 Ų | 199 | 145 Ų | 145 | 87% | 0.873 | 79% | 0.788 | S | S | * | * | trans | 46.3 | 112.9 | 147.7 | -65.8 | -81.8 | 0 | 0 | 0 | 122.4 | ||||
| 51 | S | 26 | Very low | 28 | Very low | 89 Ų | 89 | 144.7 Ų | 144.7 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | trans | -7.3 | 141.5 | 133.2 | 56.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 52 | L | 30.3 | Very low | 27.9 | Very low | 166 Ų | 166 | 146 Ų | 146 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | -149.6 | 149.6 | 102.4 | -110.4 | 169.2 | 0 | 0 | 0 | 110.6 | |||||
| 53 | D | 28.2 | Very low | 28 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | trans | -85.9 | 158.9 | -177.5 | -47.3 | -91.7 | 0 | 0 | 0 | 111.1 | ||||
| 54 | D | 31.6 | Very low | 28.1 | Very low | 171 Ų | 171 | 142.2 Ų | 142.2 | 91% | 0.914 | 79% | 0.788 | S | S | * | * | -165 | 134.2 | 124.8 | -97.6 | -26.7 | 0 | 0 | 0 | 109.2 | |||||
| 55 | E | 30.4 | Very low | 28.1 | Very low | 180 Ų | 180 | 143.1 Ų | 143.1 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -114.7 | 139.9 | -177.6 | -174.8 | -170.2 | 159 | 0 | 0 | 108.2 | ||||
| 56 | E | 30.2 | Very low | 28.2 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -163.6 | 135 | 134.1 | -110.6 | -146.1 | 85.9 | 0 | 0 | 115.8 | ||||
| 57 | T | 27.4 | Very low | 27.9 | Very low | 99 Ų | 99 | 141.2 Ų | 141.2 | 61% | 0.607 | 79% | 0.788 | S | S | * | * | trans | 43.1 | 98.9 | 142 | 52.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 58 | L | 26.1 | Very low | 28.5 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | 2.1 | 143.3 | 119.3 | -73.4 | 163.1 | 0 | 0 | 0 | 119.2 | |||||
| 59 | L | 27.1 | Very low | 28.4 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | -154.8 | 172.9 | 124.5 | -112.7 | 174.7 | 0 | 0 | 0 | 112.7 | |||||
| 60 | T | 25.9 | Very low | 28.4 | Very low | 98 Ų | 98 | 143.2 Ų | 143.2 | 60% | 0.601 | 79% | 0.793 | S | S | * | * | trans | -136.1 | 137.7 | -155.8 | -58.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 61 | E | 28.4 | Very low | 28.3 | Very low | 185 Ų | 185 | 137.4 Ų | 137.4 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -164.7 | 139.8 | 149.4 | -104.2 | 177.6 | 125.3 | 0 | 0 | 107 | ||||
| 62 | M | 26.2 | Very low | 29 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | cis | 69.7 | 137.9 | 40.5 | -62.9 | -164.6 | -178.4 | 0 | 0 | 113.4 | ||||
| 63 | A | 27.2 | Very low | 28.8 | Very low | 102 Ų | 102 | 137 Ų | 137 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | cis | -146.9 | -179.5 | -0.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 64 | A | 27.8 | Very low | 29.6 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | trans | -88 | 175.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 65 | M | 26.9 | Very low | 29.4 | Very low | 191 Ų | 191 | 133.7 Ų | 133.7 | 94% | 0.941 | 80% | 0.795 | S | S | * | * | trans | -165.2 | 154.6 | 153.5 | -99.3 | -65.8 | 172.3 | 0 | 0 | 110.4 | ||||
| 66 | A | 26.3 | Very low | 29.4 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -158.6 | 154 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 67 | E | 26.6 | Very low | 29.2 | Very low | 183 Ų | 183 | 127.7 Ų | 127.7 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | 61.9 | -179.2 | 158.5 | -81.9 | -162.2 | -167.9 | 0 | 0 | 119 | ||||
| 68 | P | 47.9 | Very low | 29.2 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 62% | 0.623 | 80% | 0.803 | S | S | * | * | -133.3 | -177.8 | -54.3 | 38.5 | -23.8 | 0 | 0 | 0 | 112.9 | |||||
| 69 | T | 25 | Very low | 29.2 | Very low | 139 Ų | 139 | 129 Ų | 129 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -178.3 | 179.3 | 144.8 | 20.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 70 | T | 26.3 | Very low | 29.8 | Very low | 130 Ų | 130 | 125.3 Ų | 125.3 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | -151.9 | 135.8 | -125.3 | 41.9 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 71 | G | 23.3 | Very low | 29.8 | Very low | 78 Ų | 78 | 126.4 Ų | 126.4 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 67 | -177.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 72 | P | 39.3 | Very low | 29.8 | Very low | 130 Ų | 130 | 124.2 Ų | 124.2 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | cis | -130 | 177.5 | -9.5 | 41.9 | -26.8 | 0 | 0 | 0 | 115.3 | ||||
| 73 | S | 27.7 | Very low | 29.6 | Very low | 115 Ų | 115 | 123.3 Ų | 123.3 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -115.3 | 167.1 | 166.5 | -53.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 74 | P | 44.7 | Very low | 30.2 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | -143.4 | -164.6 | 94.7 | 43.6 | -28.2 | 0 | 0 | 0 | 110.7 | |||||
| 75 | S | 27.5 | Very low | 30 | Very low | 110 Ų | 110 | 124 Ų | 124 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | cis | -172.2 | 174.4 | -7.3 | 26.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 76 | A | 29.7 | Very low | 29.9 | Very low | 84 Ų | 84 | 119.3 Ų | 119.3 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | cis | 172.4 | 170.9 | -29.6 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 77 | T | 26.7 | Very low | 29.8 | Very low | 138 Ų | 138 | 121 Ų | 121 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | cis | -160.4 | 136.6 | 3.1 | -19.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 78 | A | 27.5 | Very low | 29.8 | Very low | 103 Ų | 103 | 116.4 Ų | 116.4 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -163.9 | 127.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 79 | E | 25.6 | Very low | 28.9 | Very low | 182 Ų | 182 | 118.7 Ų | 118.7 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | -152.6 | -177.6 | 176.1 | -118.4 | -157.5 | -126.4 | 0 | 0 | 107.1 | ||||
| 80 | P | 39.7 | Very low | 29 | Very low | 96 Ų | 96 | 116.6 Ų | 116.6 | 62% | 0.623 | 79% | 0.786 | S | S | * | * | cis | -132.8 | 178 | 10 | 43.5 | -27.9 | 0 | 0 | 0 | 115.5 | ||||
| 81 | T | 26.1 | Very low | 29.2 | Very low | 122 Ų | 122 | 116.2 Ų | 116.2 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | -173.3 | 115.6 | 114.6 | 32 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 82 | T | 27 | Very low | 29.5 | Very low | 138 Ų | 138 | 119.9 Ų | 119.9 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | trans | 55 | 98.4 | 149.4 | 55.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 83 | D | 23.4 | Very low | 28.9 | Very low | 147 Ų | 147 | 123.4 Ų | 123.4 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -83 | -169.4 | 157.2 | -140.7 | 16.7 | 0 | 0 | 0 | 109.8 | ||||
| 84 | P | 38.4 | Very low | 29.2 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | cis | -137.3 | 153.3 | -0.5 | 37.5 | -16.6 | 0 | 0 | 0 | 119.2 | ||||
| 85 | S | 24.9 | Very low | 28.6 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | 34.4 | 127.4 | 126.2 | -151.1 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 86 | A | 25.3 | Very low | 28.7 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | 88.8 | 153.2 | 131.7 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 87 | S | 23.2 | Very low | 29.1 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | 92.4 | 154.7 | 153.5 | -146.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 88 | A | 27.5 | Very low | 29.3 | Very low | 85 Ų | 85 | 133.1 Ų | 133.1 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | trans | -91.9 | 152.4 | -167 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 89 | T | 27.4 | Very low | 29.5 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -144.6 | 82.1 | 157.3 | 1.6 | 0 | 0 | 0 | 0 | 110.2 | S91 | T89-S91 PolarHBondContact O-N 2.98Š| ||
| 90 | A | 28 | Very low | 30.1 | Very low | 95 Ų | 95 | 132.7 Ų | 132.7 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -72.2 | 115 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | L92 | A90-L92 PolarHBondContact O-N 2.87Š| ||
| 91 | S | 30.4 | Very low | 29.7 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -74 | 95.8 | -179.5 | 55 | 0 | 0 | 0 | 0 | 111 | T89 | T89-S91 PolarHBondContact O-N 2.98Š| ||
| 92 | L | 30.8 | Very low | 30.9 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -66.7 | 127.3 | 167.2 | -75.3 | 166.2 | 0 | 0 | 0 | 110.4 | A90 | A90-L92 PolarHBondContact O-N 2.87Š| ||
| 93 | F | 26.1 | Very low | 31.7 | Very low | 204 Ų | 204 | 132.7 Ų | 132.7 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | -136.4 | 143 | 135.4 | -90.9 | -76.5 | 0 | 0 | 0 | 108.6 | ||||
| 94 | P | 34.2 | Very low | 32.6 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 66% | 0.662 | 78% | 0.782 | S | S | * | * | trans | -94 | 159.7 | -163 | 37 | -35 | 0 | 0 | 0 | 112.7 | ||||
| 95 | F | 30.6 | Very low | 32.8 | Very low | 203 Ų | 203 | 132.5 Ų | 132.5 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | -138.4 | 155.7 | 140.3 | -106.9 | -73.5 | 0 | 0 | 0 | 111 | ||||
| 96 | E | 30.5 | Very low | 33.9 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | trans | -78.7 | 164.5 | -156 | -65.3 | 159.8 | 127.5 | 0 | 0 | 114.3 | F98 | E96-F98 PolarHBondContact O-N 3.26Š| ||
| 97 | S | 38 | Very low | 35 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -41.7 | 119.5 | 169.3 | 48.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 98 | F | 30.1 | Very low | 35.8 | Very low | 195 Ų | 195 | 140.2 Ų | 140.2 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -113.7 | 136.6 | 154.9 | -89 | -93.2 | 0 | 0 | 0 | 109.9 | E96 | E96-F98 PolarHBondContact O-N 3.26Š| ||
| 99 | S | 32.8 | Very low | 36.8 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -65.1 | 139.3 | 172.5 | 49.6 | 0 | 0 | 0 | 0 | 111 | D101 | S99-D101 PolarHBondContact O-N 2.85Š| ||
| 100 | L | 38.2 | Very low | 37.8 | Very low | 166 Ų | 166 | 139.7 Ų | 139.7 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | -64.2 | 106.6 | 170.1 | -83.2 | 84.7 | 0 | 0 | 0 | 110.2 | ||||
| 101 | D | 30.4 | Very low | 38.4 | Very low | 151 Ų | 151 | 144 Ų | 144 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -89.1 | 129.2 | 158.5 | -170.1 | 15.5 | 0 | 0 | 0 | 109.8 | S99 A103 | S99-D101 PolarHBondContact O-N 2.85Å; D101-A103 PolarHBondContact O-N 2.75Å | ||
| 102 | T | 51.7 | Low | 39.2 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 68.2 | -155.7 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 103 | A | 44.5 | Very low | 40 | Very low | 78 Ų | 78 | 140.7 Ų | 140.7 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.8 | -30.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | D101 | D101-A103 PolarHBondContact O-N 2.75Š|
| 104 | G | 42.6 | Very low | 41.1 | Very low | 59 Ų | 59 | 135.5 Ų | 135.5 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -83 | -21.9 | -158.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 105 | F | 42.9 | Very low | 41.6 | Very low | 193 Ų | 193 | 138 Ų | 138 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -92.9 | -10.1 | -154.3 | -140.4 | -95.3 | 0 | 0 | 0 | 117.2 | ||
| 106 | F | 47.3 | Very low | 42.2 | Very low | 196 Ų | 196 | 134.2 Ų | 134.2 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -118.1 | -1.7 | -173.9 | -80.7 | -81.6 | 0 | 0 | 0 | 115.8 | ||
| 107 | L | 47.4 | Very low | 42.8 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -109.1 | 16.6 | -169.1 | -78.5 | 167.1 | 0 | 0 | 0 | 115.6 | ||||
| 108 | N | 40.5 | Very low | 43.3 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -104.7 | 19.6 | -171.2 | -120.5 | -28.9 | 0 | 0 | 0 | 116 | ||
| 109 | C | 48.6 | Very low | 43.9 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -122.6 | -26.7 | 176 | -76.1 | 0 | 0 | 0 | 0 | 114.8 | H111 | C109-H111 PolarHBondContact O-N 3.22Š|
| 110 | C | 48 | Very low | 44.4 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 15.5 | -167.9 | -63.2 | 0 | 0 | 0 | 0 | 116 | ||
| 111 | H | 41.8 | Very low | 44.9 | Very low | 185 Ų | 185 | 128.6 Ų | 128.6 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.3 | 5.2 | 172.7 | -129.8 | 61.1 | 0 | 0 | 0 | 116.1 | C109 | C109-H111 PolarHBondContact O-N 3.22Š|
| 112 | C | 45.7 | Very low | 45.4 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 70% | 0.703 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -107.5 | -11.1 | -177.3 | -65.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 113 | C | 48.8 | Very low | 45.2 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -108.7 | -9.2 | -170 | -64.9 | 0 | 0 | 0 | 0 | 115.8 | L115 | C113-L115 VanDerWaalsContact C-N 3.3Å; C113-L115 PolarHBondContact O-N 2.92Å |
| 114 | S | 49.2 | Very low | 45.2 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -89.9 | 29.6 | -173.5 | -60.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 115 | L | 44.1 | Very low | 45.2 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -150 | 72.5 | 172.7 | -107.9 | 170.2 | 0 | 0 | 0 | 110.3 | C113 P117 | C113-L115 VanDerWaalsContact C-N 3.3Å; C113-L115 PolarHBondContact O-N 2.92Å; L115-P117 WeakPolarHBondContact O-CD 3.45Å; L115-P117 VanDerWaalsContact O-N 3.17Å | ||
| 116 | V | 42.5 | Very low | 45.3 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | -56.1 | 119.8 | 159.6 | 176.6 | 0 | 0 | 0 | 0 | 106.9 | G118 | V116-G118 PolarHBondContact O-N 3.01Š| ||
| 117 | P | 44.2 | Very low | 45 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | trans | -67.5 | 98.1 | 178.7 | -19.2 | 33.4 | 0 | 0 | 0 | 108.3 | L115 Q119 | L115-P117 WeakPolarHBondContact O-CD 3.45Å; L115-P117 VanDerWaalsContact O-N 3.17Å; P117-Q119 PolarHBondContact O-N 3.26Å | ||
| 118 | G | 47.5 | Very low | 44.7 | Very low | 63 Ų | 63 | 129.7 Ų | 129.7 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | trans | -48.9 | 124.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V116 K120 | V116-G118 PolarHBondContact O-N 3.01Å; G118-K120 PolarHBondContact O-N 2.85Å | ||
| 119 | Q | 43.2 | Very low | 44.8 | Very low | 190 Ų | 190 | 132.5 Ų | 132.5 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | trans | -46.8 | 125.9 | -163.3 | -71.2 | -169.6 | 8.4 | 0 | 0 | 110.7 | P117 G121 | P117-Q119 PolarHBondContact O-N 3.26Å; Q119-G121 PolarHBondContact O-N 3.28Å | ||
| 120 | K | 44.3 | Very low | 44.4 | Very low | 198 Ų | 198 | 130 Ų | 130 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | trans | -56 | 100.6 | -178.3 | 178 | -173.8 | 175 | -173.9 | 0 | 108.6 | G118 N122 | G118-K120 PolarHBondContact O-N 2.85Å; K120-N122 PolarHBondContact O-N 3.43Å | ||
| 121 | G | 46.7 | Very low | 44.1 | Very low | 61 Ų | 61 | 130.5 Ų | 130.5 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | trans | -48 | 134 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q119 | Q119-G121 PolarHBondContact O-N 3.28Š| ||
| 122 | N | 42.8 | Very low | 44.2 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | -44.8 | 136.1 | -171 | -75 | -31.4 | 0 | 0 | 0 | 111.4 | K120 G124 | K120-N122 PolarHBondContact O-N 3.43Å; N122-G124 PolarHBondContact O-N 2.85Å; N122-G124 VanDerWaalsContact O-N 3.09Å | ||
| 123 | P | 46.3 | Very low | 44 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -48.2 | 122.5 | 177.1 | -27.9 | 35 | 0 | 0 | 0 | 110.4 | K125 | P123-K125 PolarHBondContact O-N 2.75Š| ||
| 124 | G | 45.5 | Very low | 43.7 | Very low | 63 Ų | 63 | 133.2 Ų | 133.2 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | trans | -52.9 | 135.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110 | N122 M126 | N122-G124 PolarHBondContact O-N 2.85Å; N122-G124 VanDerWaalsContact O-N 3.09Å; G124-M126 PolarHBondContact O-N 2.67Å | ||
| 125 | K | 42.3 | Very low | 43.4 | Very low | 209 Ų | 209 | 134.9 Ų | 134.9 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -43.6 | 131.6 | -173.7 | -70.5 | -175 | 177.6 | -176.1 | 0 | 110.4 | P123 G127 | P123-K125 PolarHBondContact O-N 2.75Å; K125-G127 PolarHBondContact O-N 3.12Å | ||
| 126 | M | 43.7 | Very low | 43.3 | Very low | 185 Ų | 185 | 129.8 Ų | 129.8 | 91% | 0.911 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -53 | 126.4 | 175.4 | -178.1 | 166 | 65.7 | 0 | 0 | 108.7 | G124 | G124-M126 PolarHBondContact O-N 2.67Š|
| 127 | G | 42 | Very low | 43.2 | Very low | 54 Ų | 54 | 131.5 Ų | 131.5 | 56% | 0.557 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 142.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | K125 | K125-G127 PolarHBondContact O-N 3.12Š|
| 128 | E | 40.4 | Very low | 43.1 | Very low | 192 Ų | 192 | 134.1 Ų | 134.1 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 143.2 | -173.2 | -62.5 | -174.6 | 151.1 | 0 | 0 | 111.8 | G130 | E128-G130 PolarHBondContact O-N 3.39Å; E128-G130 VanDerWaalsContact O-N 3.17Å |
| 129 | Q | 43.4 | Very low | 42.8 | Very low | 196 Ų | 196 | 133.4 Ų | 133.4 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 120.3 | 179.4 | -173 | 172.3 | 59.5 | 0 | 0 | 108.7 | ||
| 130 | G | 40 | Very low | 42.6 | Very low | 48 Ų | 48 | 129.6 Ų | 129.6 | 50% | 0.495 | 76% | 0.757 | S | S | . | * | P | Polyproline II helix | trans | -54 | 145.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E128 K132 | E128-G130 PolarHBondContact O-N 3.39Å; E128-G130 VanDerWaalsContact O-N 3.17Å; G130-K132 PolarHBondContact O-N 2.83Å |
| 131 | P | 41.9 | Very low | 42.7 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 139.8 | -168.1 | 20.5 | -33.2 | 0 | 0 | 0 | 112 | G133 | P131-G133 PolarHBondContact O-N 2.87Å; P131-G133 VanDerWaalsContact O-N 3.11Å |
| 132 | K | 44 | Very low | 42.3 | Very low | 197 Ų | 197 | 125.8 Ų | 125.8 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 117.3 | 176 | -179 | -180 | 176.7 | -177.3 | 0 | 108.6 | G130 | G130-K132 PolarHBondContact O-N 2.83Š|
| 133 | G | 42.3 | Very low | 42.2 | Very low | 57 Ų | 57 | 124.2 Ų | 124.2 | 59% | 0.588 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 143 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P131 | P131-G133 PolarHBondContact O-N 2.87Å; P131-G133 VanDerWaalsContact O-N 3.11Å |
| 134 | E | 40.8 | Very low | 42.2 | Very low | 195 Ų | 195 | 124.5 Ų | 124.5 | 91% | 0.911 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 146.8 | -171.3 | -66.2 | 168.4 | 151.1 | 0 | 0 | 112.1 | G136 | E134-G136 PolarHBondContact O-N 2.96Š|
| 135 | T | 44 | Very low | 42.1 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | trans | -72.1 | 112.5 | 176.5 | -56 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 136 | G | 41.7 | Very low | 42 | Very low | 47 Ų | 47 | 122.8 Ų | 122.8 | 49% | 0.485 | 75% | 0.751 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 146.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E134 | E134-G136 PolarHBondContact O-N 2.96Š|
| 137 | D | 39.5 | Very low | 42.1 | Very low | 160 Ų | 160 | 120.6 Ų | 120.6 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 149.4 | -166.2 | -56.6 | -76.5 | 0 | 0 | 0 | 114.5 | G139 | D137-G139 PolarHBondContact O-N 2.6Š|
| 138 | I | 43.6 | Very low | 42.1 | Very low | 169 Ų | 169 | 120.6 Ų | 120.6 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 120.2 | 175.3 | -59.9 | 175.4 | 0 | 0 | 0 | 108.1 | S140 | I138-S140 PolarHBondContact O-N 3.45Š|
| 139 | G | 40.8 | Very low | 42.3 | Very low | 49 Ų | 49 | 117.8 Ų | 117.8 | 51% | 0.505 | 75% | 0.746 | S | S | . | * | P | Polyproline II helix | trans | -55.1 | 133.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D137 | D137-G139 PolarHBondContact O-N 2.6Š|
| 140 | S | 37.7 | Very low | 42.3 | Very low | 110 Ų | 110 | 117.8 Ų | 117.8 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 142.2 | -175.5 | 38.6 | 0 | 0 | 0 | 0 | 112 | I138 G142 | I138-S140 PolarHBondContact O-N 3.45Å; S140-G142 PolarHBondContact O-N 3.45Å |
| 141 | P | 46.7 | Very low | 42.5 | Very low | 126 Ų | 126 | 118.1 Ų | 118.1 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -56 | 137.6 | 175 | -26 | 35 | 0 | 0 | 0 | 111.9 | ||
| 142 | G | 38.7 | Very low | 42.6 | Very low | 53 Ų | 53 | 118.4 Ų | 118.4 | 55% | 0.546 | 75% | 0.752 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 149.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S140 | S140-G142 PolarHBondContact O-N 3.45Š|
| 143 | P | 40.9 | Very low | 42.7 | Very low | 121 Ų | 121 | 119 Ų | 119 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 148.8 | -179.2 | 26.5 | -34.7 | 0 | 0 | 0 | 111.5 | G145 | P143-G145 PolarHBondContact O-N 3.03Š|
| 144 | P | 47.5 | Very low | 42.7 | Very low | 125 Ų | 125 | 119.5 Ų | 119.5 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 138.3 | 175.9 | -25.9 | 35 | 0 | 0 | 0 | 112.3 | I146 | P144-I146 PolarHBondContact O-N 3.4Š|
| 145 | G | 42.4 | Very low | 42.6 | Very low | 68 Ų | 68 | 119.9 Ų | 119.9 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 133.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P143 T147 | P143-G145 PolarHBondContact O-N 3.03Å; G145-T147 PolarHBondContact O-N 3.27Å |
| 146 | I | 39.8 | Very low | 42.6 | Very low | 168 Ų | 168 | 122.6 Ų | 122.6 | 86% | 0.862 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 134.9 | 177.3 | 55.3 | 173 | 0 | 0 | 0 | 110.9 | P144 G148 | P144-I146 PolarHBondContact O-N 3.4Å; I146-G148 PolarHBondContact O-N 3.29Å |
| 147 | T | 46.2 | Very low | 42.8 | Very low | 139 Ų | 139 | 123.3 Ų | 123.3 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 128.3 | 174.8 | -52.3 | 0 | 0 | 0 | 0 | 109.5 | G145 | G145-T147 PolarHBondContact O-N 3.27Š|
| 148 | G | 42.4 | Very low | 42.7 | Very low | 54 Ų | 54 | 125.3 Ų | 125.3 | 56% | 0.557 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 149.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I146 Q150 | I146-G148 PolarHBondContact O-N 3.29Å; G148-Q150 PolarHBondContact O-N 3.45Å |
| 149 | P | 43.3 | Very low | 42.5 | Very low | 133 Ų | 133 | 125.3 Ų | 125.3 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 137.7 | -179.8 | 26.1 | -34.4 | 0 | 0 | 0 | 111 | G151 | P149-G151 PolarHBondContact O-N 3.4Š|
| 150 | Q | 45.3 | Very low | 42.4 | Very low | 196 Ų | 196 | 126.2 Ų | 126.2 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 130.5 | 178.8 | -170.3 | 173.7 | 31.2 | 0 | 0 | 110.2 | G148 | G148-Q150 PolarHBondContact O-N 3.45Š|
| 151 | G | 43.8 | Very low | 42.3 | Very low | 56 Ų | 56 | 128.8 Ų | 128.8 | 58% | 0.577 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 149.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P149 K153 | P149-G151 PolarHBondContact O-N 3.4Å; G151-K153 PolarHBondContact O-N 3.29Å |
| 152 | P | 42.5 | Very low | 41.9 | Very low | 134 Ų | 134 | 130 Ų | 130 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60 | 132.4 | -175 | 24.6 | -34.1 | 0 | 0 | 0 | 111.5 | G154 | P152-G154 PolarHBondContact O-N 2.96Š|
| 153 | K | 46.3 | Very low | 41.9 | Very low | 208 Ų | 208 | 131.1 Ų | 131.1 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 119.8 | -178.4 | -170 | 173.4 | -174.8 | 172.5 | 0 | 110.1 | G151 | G151-K153 PolarHBondContact O-N 3.29Š|
| 154 | G | 43.3 | Very low | 41.6 | Very low | 68 Ų | 68 | 132.4 Ų | 132.4 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -54 | 144.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P152 | P152-G154 PolarHBondContact O-N 2.96Š|
| 155 | Q | 39.2 | Very low | 41.1 | Very low | 203 Ų | 203 | 135.6 Ų | 135.6 | 95% | 0.949 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 145 | -177.5 | -65.9 | -170.5 | 8.6 | 0 | 0 | 111.6 | ||
| 156 | K | 43.1 | Very low | 41 | Very low | 187 Ų | 187 | 135.9 Ų | 135.9 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 118.1 | -171.8 | 177.1 | -175.2 | 172.6 | -170.7 | 0 | 110.3 | ||
| 157 | G | 45 | Very low | 40.9 | Very low | 63 Ų | 63 | 133.6 Ų | 133.6 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61 | 152.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 158 | E | 39 | Very low | 40.7 | Very low | 202 Ų | 202 | 136 Ų | 136 | 94% | 0.944 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 168.2 | -172.8 | -65.1 | -157.4 | 116.1 | 0 | 0 | 114.4 | ||
| 159 | K | 38.4 | Very low | 40.9 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 74% | 0.735 | 78% | 0.776 | S | S | * | * | trans | -101.2 | 107.4 | -152.1 | -176.4 | -173.1 | 178.1 | -168.8 | 0 | 113.1 | ||||
| 160 | G | 39.8 | Very low | 40.8 | Very low | 68 Ų | 68 | 135.1 Ų | 135.1 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -62 | 148 | 158.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 161 | L | 34.4 | Very low | 40.7 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -87.9 | 175.8 | -174.9 | -75.9 | 174.6 | 0 | 0 | 0 | 114.1 | ||||
| 162 | K | 38 | Very low | 40.8 | Very low | 152 Ų | 152 | 130 Ų | 130 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | trans | -87.1 | 134.7 | -151.9 | -178.6 | -173.5 | 176.5 | -172.5 | 0 | 114.4 | E164 | K162-E164 WeakPolarHBondContact CE-OE1 3.39Å; K162-E164 WeakPolarHBondContact CE-OE2 3.31Å; K162-E164 IonicContact NZ-OE1 3.78Å; K162-E164 PolarHBondContact NZ-OE1 2.93Å; K162-E164 IonicContact NZ-OE2 3.83Å; K162-E164 PolarHBondContact NZ-OE2 2.95Å | ||
| 163 | G | 39.8 | Very low | 40.7 | Very low | 77 Ų | 77 | 129.8 Ų | 129.8 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -123.8 | 154.1 | 148.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 164 | E | 34.2 | Very low | 40.7 | Very low | 148 Ų | 148 | 125.3 Ų | 125.3 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | -130.9 | 129.5 | -165.3 | -164.8 | 155 | -121.1 | 0 | 0 | 114.5 | K162 | K162-E164 WeakPolarHBondContact CE-OE1 3.39Å; K162-E164 WeakPolarHBondContact CE-OE2 3.31Å; K162-E164 IonicContact NZ-OE1 3.78Å; K162-E164 PolarHBondContact NZ-OE1 2.93Å; K162-E164 IonicContact NZ-OE2 3.83Å; K162-E164 PolarHBondContact NZ-OE2 2.95Å | ||
| 165 | R | 36.7 | Very low | 40.9 | Very low | 191 Ų | 191 | 125.4 Ų | 125.4 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | 51.6 | 113.8 | 159.4 | -179.7 | 173.6 | -83.9 | 169.7 | -14.4 | 119.3 | D167 | R165-D167 VanDerWaalsContact CD-OD2 3.26Å; R165-D167 WeakPolarHBondContact CD-OD2 3.36Å; R165-D167 IonicContact CZ-OD1 2.77Å; R165-D167 IonicContact CZ-OD2 2.91Å; R165-D167 VanDerWaalsContact CZ-OD2 3.31Å; R165-D167 IonicContact NE-OD1 2.79Å; R165-D167 PolarHBondContact NE-OD1 3.42Å; R165-D167 IonicContact NE-OD2 3.08Å; R165-D167 PolarHBondContact NE-OD2 3.32Å; R165-D167 IonicContact NH2-OD1 2.69Å; R165-D167 PolarHBondContact NH2-OD1 3.49Å; R165-D167 VanDerWaalsContact NH2-OD1 3.08Å; R165-D167 IonicContact NH2-OD2 3.33Å | ||
| 166 | G | 39.5 | Very low | 40.9 | Very low | 75 Ų | 75 | 126 Ų | 126 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | -112.3 | 136.6 | 115.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q168 | G166-Q168 PolarHBondContact O-N 3.43Š| |||
| 167 | D | 38.3 | Very low | 41.1 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 64% | 0.642 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 119.6 | -178.2 | -73.8 | -46.4 | 0 | 0 | 0 | 110.7 | R165 | R165-D167 VanDerWaalsContact CD-OD2 3.26Å; R165-D167 WeakPolarHBondContact CD-OD2 3.36Å; R165-D167 IonicContact CZ-OD1 2.77Å; R165-D167 IonicContact CZ-OD2 2.91Å; R165-D167 VanDerWaalsContact CZ-OD2 3.31Å; R165-D167 IonicContact NE-OD1 2.79Å; R165-D167 PolarHBondContact NE-OD1 3.42Å; R165-D167 IonicContact NE-OD2 3.08Å; R165-D167 PolarHBondContact NE-OD2 3.32Å; R165-D167 IonicContact NH2-OD1 2.69Å; R165-D167 PolarHBondContact NH2-OD1 3.49Å; R165-D167 VanDerWaalsContact NH2-OD1 3.08Å; R165-D167 IonicContact NH2-OD2 3.33Å |
| 168 | Q | 42.7 | Very low | 41.1 | Very low | 188 Ų | 188 | 122.7 Ų | 122.7 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 126.7 | 179.7 | -178 | 176.9 | -14.7 | 0 | 0 | 110.4 | G166 | G166-Q168 PolarHBondContact O-N 3.43Š|
| 169 | G | 46.7 | Very low | 41.3 | Very low | 64 Ų | 64 | 122.4 Ų | 122.4 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -55 | 142.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | G171 | G169-G171 PolarHBondContact O-N 2.77Š|
| 170 | A | 40.8 | Very low | 41.6 | Very low | 106 Ų | 106 | 120.4 Ų | 120.4 | 88% | 0.876 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 123.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G172 | A170-G172 PolarHBondContact O-N 3.02Š|
| 171 | G | 43.5 | Very low | 41.8 | Very low | 72 Ų | 72 | 119.6 Ų | 119.6 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 129.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | G169 V173 | G169-G171 PolarHBondContact O-N 2.77Å; G171-V173 PolarHBondContact O-N 3.43Å |
| 172 | G | 44.5 | Very low | 42.2 | Very low | 73 Ų | 73 | 120.8 Ų | 120.8 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 138.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A170 | A170-G172 PolarHBondContact O-N 3.02Š|
| 173 | V | 40.6 | Very low | 42.5 | Very low | 128 Ų | 128 | 122 Ų | 122 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 127.9 | -175.4 | -172.4 | 0 | 0 | 0 | 0 | 109.8 | G171 G175 | G171-V173 PolarHBondContact O-N 3.43Å; V173-G175 PolarHBondContact O-N 3.32Å |
| 174 | P | 47.4 | Very low | 42.6 | Very low | 114 Ų | 114 | 120.2 Ų | 120.2 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 127.6 | 174.5 | -26.1 | 35 | 0 | 0 | 0 | 110.7 | Y176 | P174-Y176 PolarHBondContact O-N 3.23Š|
| 175 | G | 46.8 | Very low | 42.9 | Very low | 70 Ų | 70 | 116.2 Ų | 116.2 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 135.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | V173 | V173-G175 PolarHBondContact O-N 3.32Š|
| 176 | Y | 39.9 | Very low | 43.2 | Very low | 216 Ų | 216 | 115.1 Ų | 115.1 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -52 | 137.2 | -176.5 | -68.5 | -80.8 | 0 | 0 | 0 | 111.6 | P174 G178 | P174-Y176 PolarHBondContact O-N 3.23Å; Y176-G178 PolarHBondContact O-N 3.07Å |
| 177 | P | 47.3 | Very low | 43.2 | Very low | 119 Ų | 119 | 113.1 Ų | 113.1 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 135.2 | 170.4 | -26.1 | 34.8 | 0 | 0 | 0 | 110.7 | K179 | P177-K179 PolarHBondContact O-N 3.5Š|
| 178 | G | 44 | Very low | 43.4 | Very low | 61 Ų | 61 | 112.7 Ų | 112.7 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 138.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y176 | Y176-G178 PolarHBondContact O-N 3.07Š|
| 179 | K | 42.9 | Very low | 43.5 | Very low | 197 Ų | 197 | 113.4 Ų | 113.4 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 134.8 | 179.6 | -65.5 | -177.4 | -179.1 | 179.5 | 0 | 109.3 | P177 G181 | P177-K179 PolarHBondContact O-N 3.5Å; K179-G181 PolarHBondContact O-N 3.37Å |
| 180 | P | 46 | Very low | 43.2 | Very low | 126 Ų | 126 | 112.3 Ų | 112.3 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 131 | 171.1 | -26 | 34.8 | 0 | 0 | 0 | 109.9 | ||
| 181 | G | 43.1 | Very low | 43.1 | Very low | 51 Ų | 51 | 114.6 Ų | 114.6 | 53% | 0.526 | 72% | 0.716 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 141.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | K179 Q183 | K179-G181 PolarHBondContact O-N 3.37Å; G181-Q183 PolarHBondContact O-N 3.24Å |
| 182 | E | 43 | Very low | 43.1 | Very low | 188 Ų | 188 | 120.2 Ų | 120.2 | 88% | 0.879 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -58 | 134.4 | -175.3 | -65.4 | -165.3 | 144.3 | 0 | 0 | 111.2 | G184 | E182-G184 PolarHBondContact O-N 2.94Å; E182-G184 VanDerWaalsContact O-N 3.14Å |
| 183 | Q | 43.9 | Very low | 42.9 | Very low | 177 Ų | 177 | 118.5 Ų | 118.5 | 83% | 0.827 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 117.7 | 178.7 | -176.8 | -178 | -55.6 | 0 | 0 | 108.8 | G181 G185 | G181-Q183 PolarHBondContact O-N 3.24Å; Q183-G185 PolarHBondContact O-N 2.84Å |
| 184 | G | 42.9 | Very low | 42.8 | Very low | 40 Ų | 40 | 119.6 Ų | 119.6 | 41% | 0.412 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -48.1 | 129.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | E182 | E182-G184 PolarHBondContact O-N 2.94Å; E182-G184 VanDerWaalsContact O-N 3.14Å |
| 185 | G | 39.7 | Very low | 42.5 | Very low | 65 Ų | 65 | 121.8 Ų | 121.8 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 146.6 | -172 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q183 G187 | Q183-G185 PolarHBondContact O-N 2.84Å; G185-G187 PolarHBondContact O-N 2.81Å |
| 186 | L | 42.9 | Very low | 42.1 | Very low | 167 Ų | 167 | 119.9 Ų | 119.9 | 87% | 0.874 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 125.1 | 172.6 | -92.7 | 111.4 | 0 | 0 | 0 | 109.7 | ||
| 187 | G | 39.9 | Very low | 42.1 | Very low | 33 Ų | 33 | 115.4 Ų | 115.4 | 34% | 0.34 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 149.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G185 K189 | G185-G187 PolarHBondContact O-N 2.81Å; G187-K189 PolarHBondContact O-N 3.01Å |
| 188 | P | 42.8 | Very low | 41.9 | Very low | 111 Ų | 111 | 114.6 Ų | 114.6 | 72% | 0.721 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 134 | -175.1 | 23.3 | -33.6 | 0 | 0 | 0 | 111.1 | G190 | P188-G190 PolarHBondContact O-N 2.81Å; P188-G190 VanDerWaalsContact O-N 3.15Å |
| 189 | K | 45 | Very low | 41.7 | Very low | 204 Ų | 204 | 113.8 Ų | 113.8 | 89% | 0.887 | 68% | 0.68 | S | S | * | * | trans | -62.4 | 115.5 | 178.7 | -177.6 | 176 | -175.3 | 169.7 | 0 | 109.2 | G187 | G187-K189 PolarHBondContact O-N 3.01Š| ||
| 190 | G | 40.6 | Very low | 41.5 | Very low | 41 Ų | 41 | 110.3 Ų | 110.3 | 42% | 0.423 | 68% | 0.676 | S | S | . | * | trans | -51.2 | 145.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P188 | P188-G190 PolarHBondContact O-N 2.81Å; P188-G190 VanDerWaalsContact O-N 3.15Å | ||
| 191 | D | 39.3 | Very low | 41.4 | Very low | 154 Ų | 154 | 114 Ų | 114 | 82% | 0.824 | 68% | 0.679 | S | S | * | * | trans | -62.1 | 144.4 | -169.1 | -83.6 | -55.2 | 0 | 0 | 0 | 113.7 | G193 | D191-G193 PolarHBondContact O-N 3.14Å; D191-G193 VanDerWaalsContact O-N 3.16Å | ||
| 192 | K | 43.7 | Very low | 41.4 | Very low | 189 Ų | 189 | 113.4 Ų | 113.4 | 82% | 0.822 | 67% | 0.673 | S | S | * | * | trans | -75.2 | 108.7 | -179.6 | -176 | -176.9 | 177.4 | -175.2 | 0 | 109.4 | ||||
| 193 | G | 39.8 | Very low | 41.1 | Very low | 37 Ų | 37 | 113.3 Ų | 113.3 | 38% | 0.381 | 67% | 0.672 | S | S | . | * | trans | -42.4 | 137.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D191 | D191-G193 PolarHBondContact O-N 3.14Å; D191-G193 VanDerWaalsContact O-N 3.16Å | ||
| 194 | N | 38 | Very low | 41.1 | Very low | 152 Ų | 152 | 114.6 Ų | 114.6 | 81% | 0.813 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -58 | 140.2 | -172 | -74.3 | -46 | 0 | 0 | 0 | 112.6 | G196 | N194-G196 PolarHBondContact O-N 3.09Š|
| 195 | I | 41.3 | Very low | 41.2 | Very low | 159 Ų | 159 | 114.8 Ų | 114.8 | 82% | 0.815 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 125.1 | 174 | -56.7 | 178.1 | 0 | 0 | 0 | 107.9 | ||
| 196 | G | 37.8 | Very low | 41.3 | Very low | 31 Ų | 31 | 117.2 Ų | 117.2 | 32% | 0.32 | 68% | 0.684 | S | S | . | * | P | Polyproline II helix | trans | -57.5 | 152.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N194 | N194-G196 PolarHBondContact O-N 3.09Š|
| 197 | P | 40.3 | Very low | 41.4 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 79% | 0.792 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 142.3 | -177.6 | 24.8 | -34.3 | 0 | 0 | 0 | 111.4 | G199 | P197-G199 PolarHBondContact O-N 3.33Š|
| 198 | A | 43.5 | Very low | 41.8 | Very low | 101 Ų | 101 | 118.7 Ų | 118.7 | 84% | 0.835 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 132.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 199 | G | 39.3 | Very low | 41.7 | Very low | 44 Ų | 44 | 120.8 Ų | 120.8 | 45% | 0.454 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -54.8 | 144.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P197 K201 | P197-G199 PolarHBondContact O-N 3.33Å; G199-K201 PolarHBondContact O-N 3.07Å |
| 200 | T | 39.5 | Very low | 41.9 | Very low | 125 Ų | 125 | 118.9 Ų | 118.9 | 77% | 0.767 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 134.7 | -178.1 | 44.8 | 0 | 0 | 0 | 0 | 110.8 | G202 | T200-G202 PolarHBondContact O-N 2.77Š|
| 201 | K | 43.8 | Very low | 41.8 | Very low | 204 Ų | 204 | 122.2 Ų | 122.2 | 89% | 0.887 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 120.9 | 178.2 | -174.9 | -174.4 | 177 | -170.3 | 0 | 109 | G199 | G199-K201 PolarHBondContact O-N 3.07Š|
| 202 | G | 41.4 | Very low | 42 | Very low | 37 Ų | 37 | 118.7 Ų | 118.7 | 38% | 0.381 | 71% | 0.708 | S | S | . | * | P | Polyproline II helix | trans | -50.7 | 145.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T200 | T200-G202 PolarHBondContact O-N 2.77Š|
| 203 | Q | 38.8 | Very low | 42.1 | Very low | 187 Ų | 187 | 117 Ų | 117 | 87% | 0.874 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 144.9 | -178.8 | -67.9 | -169.5 | 3.3 | 0 | 0 | 110.9 | G205 | Q203-G205 PolarHBondContact O-N 3.03Š|
| 204 | K | 43.3 | Very low | 42.3 | Very low | 203 Ų | 203 | 119.3 Ų | 119.3 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 119.3 | 172.4 | -176 | -170.8 | 175 | -167.6 | 0 | 107.7 | ||
| 205 | G | 44.4 | Very low | 42.4 | Very low | 44 Ų | 44 | 118.6 Ų | 118.6 | 45% | 0.454 | 73% | 0.733 | S | S | . | * | P | Polyproline II helix | trans | -50.7 | 145.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q203 | Q203-G205 PolarHBondContact O-N 3.03Š|
| 206 | S | 42.2 | Very low | 42.5 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 149.4 | 177.9 | 41 | 0 | 0 | 0 | 0 | 111.4 | G208 | S206-G208 PolarHBondContact O-N 2.74Š|
| 207 | K | 44.5 | Very low | 43 | Very low | 179 Ų | 179 | 122 Ų | 122 | 78% | 0.778 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -80 | 118.2 | 171 | -175.9 | -170.6 | 174.7 | -164.8 | 0 | 107 | ||
| 208 | G | 48.5 | Very low | 43.2 | Very low | 52 Ų | 52 | 125.1 Ų | 125.1 | 54% | 0.536 | 75% | 0.754 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 146.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S206 | S206-G208 PolarHBondContact O-N 2.74Š|
| 209 | D | 40.6 | Very low | 43.2 | Very low | 154 Ų | 154 | 129.6 Ų | 129.6 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 155.3 | -177.8 | -68 | -60.3 | 0 | 0 | 0 | 113 | C211 | D209-C211 PolarHBondContact O-N 3.2Š|
| 210 | L | 48.6 | Very low | 43.3 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | trans | -89.9 | 84.2 | -170.9 | -72.6 | 168.5 | 0 | 0 | 0 | 111.8 | ||||
| 211 | C | 39.6 | Very low | 43.3 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | -124 | 156.8 | 163.9 | 51.3 | 0 | 0 | 0 | 0 | 111.6 | D209 N213 | D209-C211 PolarHBondContact O-N 3.2Å; C211-N213 VanDerWaalsContact C-N 3.35Å; C211-N213 PolarHBondContact O-N 3.36Å | ||
| 212 | G | 43.7 | Very low | 43.2 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -77.3 | 57.7 | -155.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 213 | N | 46.1 | Very low | 43.1 | Very low | 153 Ų | 153 | 126.5 Ų | 126.5 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -164.2 | 111.5 | 149.5 | -105.3 | -20.9 | 0 | 0 | 0 | 109.9 | C211 T215 | C211-N213 VanDerWaalsContact C-N 3.35Å; C211-N213 PolarHBondContact O-N 3.36Å; N213-T215 PolarHBondContact O-N 3.43Å |
| 214 | G | 43.3 | Very low | 43.2 | Very low | 85 Ų | 85 | 121.6 Ų | 121.6 | 88% | 0.876 | 74% | 0.741 | S | S | * | * | trans | -76.9 | 87.7 | -164.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 215 | T | 39.4 | Very low | 43.2 | Very low | 137 Ų | 137 | 117.9 Ų | 117.9 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | trans | -73.4 | 130.1 | 160.8 | 48.4 | 0 | 0 | 0 | 0 | 110.2 | N213 G217 | N213-T215 PolarHBondContact O-N 3.43Å; T215-G217 PolarHBondContact O-N 3.47Å; T215-G217 VanDerWaalsContact O-N 3.17Å | ||
| 216 | K | 44.8 | Very low | 42.9 | Very low | 204 Ų | 204 | 118 Ų | 118 | 89% | 0.887 | 74% | 0.743 | S | S | * | * | trans | -73.3 | 107 | 178.9 | 177.8 | -178.1 | 175.9 | -177.8 | 0 | 109.1 | ||||
| 217 | G | 48.2 | Very low | 42.8 | Very low | 58 Ų | 58 | 116.8 Ų | 116.8 | 60% | 0.598 | 74% | 0.739 | S | S | * | * | trans | -48.5 | 139.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | T215 | T215-G217 PolarHBondContact O-N 3.47Å; T215-G217 VanDerWaalsContact O-N 3.17Å | ||
| 218 | E | 44.5 | Very low | 42.7 | Very low | 187 Ų | 187 | 117.2 Ų | 117.2 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | trans | -66.7 | 150.2 | -165 | -62 | -168 | 127.9 | 0 | 0 | 113.7 | G220 | E218-G220 PolarHBondContact O-N 3.08Å; E218-G220 VanDerWaalsContact O-N 3.16Å | ||
| 219 | K | 42.3 | Very low | 42.2 | Very low | 196 Ų | 196 | 116.4 Ų | 116.4 | 85% | 0.852 | 74% | 0.735 | S | S | * | * | trans | -81 | 97.8 | -179.9 | 179.8 | -164.6 | 169.5 | -165.1 | 0 | 108.9 | ||||
| 220 | G | 42.6 | Very low | 42.1 | Very low | 41 Ų | 41 | 118.2 Ų | 118.2 | 42% | 0.423 | 74% | 0.736 | S | S | . | * | P | Polyproline II helix | trans | -49.2 | 149.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E218 | E218-G220 PolarHBondContact O-N 3.08Å; E218-G220 VanDerWaalsContact O-N 3.16Å |
| 221 | D | 39.3 | Very low | 41.8 | Very low | 141 Ų | 141 | 118.4 Ų | 118.4 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 154 | -159.5 | -63.4 | -69.2 | 0 | 0 | 0 | 116 | G223 | D221-G223 PolarHBondContact O-N 3.06Š|
| 222 | P | 42.3 | Very low | 41.7 | Very low | 119 Ų | 119 | 115 Ų | 115 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -57 | 129.1 | 164.7 | -19.9 | 32.7 | 0 | 0 | 0 | 111 | ||
| 223 | G | 39.2 | Very low | 41.6 | Very low | 44 Ų | 44 | 119.4 Ų | 119.4 | 45% | 0.454 | 72% | 0.718 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 143.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D221 | D221-G223 PolarHBondContact O-N 3.06Š|
| 224 | A | 40.3 | Very low | 41.5 | Very low | 83 Ų | 83 | 118.1 Ų | 118.1 | 69% | 0.686 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 140.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G226 | A224-G226 PolarHBondContact O-N 2.69Š|
| 225 | S | 42.3 | Very low | 41.3 | Very low | 125 Ų | 125 | 116.4 Ų | 116.4 | 87% | 0.874 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 131.8 | 174.2 | -67.5 | 0 | 0 | 0 | 0 | 111 | ||
| 226 | G | 38.3 | Very low | 41.3 | Very low | 48 Ų | 48 | 115.8 Ų | 115.8 | 50% | 0.495 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -62 | 146.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A224 | A224-G226 PolarHBondContact O-N 2.69Š|
| 227 | A | 40.4 | Very low | 41.2 | Very low | 90 Ų | 90 | 116 Ų | 116 | 74% | 0.744 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -59 | 148.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 228 | H | 42.7 | Very low | 40.8 | Very low | 189 Ų | 189 | 115.2 Ų | 115.2 | 88% | 0.875 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 137.1 | 177.9 | -137 | 81.1 | 0 | 0 | 0 | 110.4 | ||
| 229 | G | 37.6 | Very low | 40.7 | Very low | 34 Ų | 34 | 115.2 Ų | 115.2 | 35% | 0.351 | 69% | 0.69 | S | S | . | * | P | Polyproline II helix | trans | -68.2 | 144.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 230 | F | 38.8 | Very low | 40.7 | Very low | 192 Ų | 192 | 115.8 Ų | 115.8 | 84% | 0.842 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 147 | 177.1 | -63.5 | -79.3 | 0 | 0 | 0 | 111.9 | ||
| 231 | I | 41.9 | Very low | 40.5 | Very low | 169 Ų | 169 | 115.8 Ų | 115.8 | 87% | 0.867 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 129.6 | 175 | -61.8 | 171.7 | 0 | 0 | 0 | 108.1 | ||
| 232 | G | 38.7 | Very low | 40.6 | Very low | 38 Ų | 38 | 115.9 Ų | 115.9 | 39% | 0.392 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -69 | 149.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 233 | E | 40.4 | Very low | 40.6 | Very low | 174 Ų | 174 | 117 Ų | 117 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 152.2 | -174.5 | -61 | -170.9 | 140.6 | 0 | 0 | 113 | G235 | E233-G235 PolarHBondContact O-N 3.39Š|
| 234 | P | 44.3 | Very low | 40.7 | Very low | 127 Ų | 127 | 117.4 Ų | 117.4 | 83% | 0.825 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 130.9 | 174.2 | -21.6 | 33.8 | 0 | 0 | 0 | 112 | ||
| 235 | G | 38.6 | Very low | 40.9 | Very low | 49 Ų | 49 | 122.8 Ų | 122.8 | 51% | 0.505 | 72% | 0.717 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 145 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | E233 | E233-G235 PolarHBondContact O-N 3.39Š|
| 236 | V | 39.8 | Very low | 40.9 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 75% | 0.745 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 142.6 | -179.6 | -71.6 | 0 | 0 | 0 | 0 | 112.5 | G238 | V236-G238 PolarHBondContact O-N 2.86Š|
| 237 | K | 43.2 | Very low | 41.1 | Very low | 208 Ų | 208 | 127.2 Ų | 127.2 | 90% | 0.904 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 124.3 | -179.9 | -174.8 | -179.5 | 179.7 | -178 | 0 | 110 | ||
| 238 | G | 39.8 | Very low | 41.2 | Very low | 42 Ų | 42 | 130.8 Ų | 130.8 | 43% | 0.433 | 73% | 0.732 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 152.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V236 | V236-G238 PolarHBondContact O-N 2.86Š|
| 239 | E | 41.6 | Very low | 41.1 | Very low | 187 Ų | 187 | 133.2 Ų | 133.2 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 157.7 | -176.9 | -60.9 | -170.4 | 139.8 | 0 | 0 | 112.8 | ||
| 240 | K | 42.6 | Very low | 41.4 | Very low | 209 Ų | 209 | 134.7 Ų | 134.7 | 91% | 0.909 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 120.9 | -177.3 | -171.7 | -178.8 | 178.7 | -173.7 | 0 | 109.9 | ||
| 241 | G | 38.9 | Very low | 41.5 | Very low | 41 Ų | 41 | 133 Ų | 133 | 42% | 0.423 | 75% | 0.748 | S | S | . | * | P | Polyproline II helix | trans | -54.8 | 146.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 242 | V | 40.3 | Very low | 41.6 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 148.2 | -178.3 | -122.5 | 0 | 0 | 0 | 0 | 111.6 | G244 | V242-G244 PolarHBondContact O-N 2.9Š|
| 243 | V | 42.9 | Very low | 41.8 | Very low | 143 Ų | 143 | 132.6 Ų | 132.6 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -75 | 124.5 | 175.6 | -178.9 | 0 | 0 | 0 | 0 | 109 | ||
| 244 | G | 40.8 | Very low | 41.8 | Very low | 52 Ų | 52 | 134 Ų | 134 | 54% | 0.536 | 77% | 0.769 | S | S | . | * | P | Polyproline II helix | trans | -65.1 | 150 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V242 | V242-G244 PolarHBondContact O-N 2.9Š|
| 245 | E | 45.2 | Very low | 41.6 | Very low | 196 Ų | 196 | 139.4 Ų | 139.4 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 150.1 | -177.4 | -66.5 | -167.7 | 120.1 | 0 | 0 | 113.4 | G247 | E245-G247 PolarHBondContact O-N 2.88Š|
| 246 | K | 42.7 | Very low | 41.8 | Very low | 202 Ų | 202 | 140.3 Ų | 140.3 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 116.9 | -178.5 | -171.6 | 177.7 | -175.4 | 177.9 | 0 | 109.8 | ||
| 247 | G | 41.7 | Very low | 41.8 | Very low | 65 Ų | 65 | 143.9 Ų | 143.9 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 140.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E245 | E245-G247 PolarHBondContact O-N 2.88Š|
| 248 | N | 42.7 | Very low | 41.5 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62 | 146.1 | -178.5 | -71.6 | -25.2 | 0 | 0 | 0 | 112.1 | ||
| 249 | R | 41.2 | Very low | 41.6 | Very low | 240 Ų | 240 | 144.8 Ų | 144.8 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 125.5 | 175.2 | -176.5 | 178.8 | -175.6 | 165.6 | 1.3 | 109 | ||
| 250 | G | 43.3 | Very low | 41.3 | Very low | 64 Ų | 64 | 145.5 Ų | 145.5 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 150.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 251 | D | 41.4 | Very low | 41.2 | Very low | 156 Ų | 156 | 145 Ų | 145 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 152.6 | -173.4 | -60 | -71.1 | 0 | 0 | 0 | 113.5 | G253 | D251-G253 PolarHBondContact O-N 3.08Š|
| 252 | P | 44.3 | Very low | 41.2 | Very low | 126 Ų | 126 | 146 Ų | 146 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 132.3 | 173.8 | -18 | 31.9 | 0 | 0 | 0 | 111.5 | ||
| 253 | G | 42.6 | Very low | 40.9 | Very low | 74 Ų | 74 | 148.9 Ų | 148.9 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 153 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | D251 | D251-G253 PolarHBondContact O-N 3.08Š|
| 254 | E | 40.8 | Very low | 40.7 | Very low | 202 Ų | 202 | 147.2 Ų | 147.2 | 94% | 0.944 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 151.2 | -176.3 | -64.5 | -170.4 | 126.4 | 0 | 0 | 113.3 | G256 | E254-G256 PolarHBondContact O-N 2.8Š|
| 255 | R | 39.8 | Very low | 40.6 | Very low | 242 Ų | 242 | 148.1 Ų | 148.1 | 91% | 0.913 | 83% | 0.828 | S | S | * | * | trans | -79.6 | 113.9 | -178.8 | -177.6 | -176.1 | -63.3 | 175.6 | 1.4 | 109.9 | ||||
| 256 | G | 43.3 | Very low | 40 | Very low | 68 Ų | 68 | 147.8 Ų | 147.8 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | trans | -56.6 | 154 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E254 | E254-G256 PolarHBondContact O-N 2.8Š| ||
| 257 | E | 38.3 | Very low | 39.8 | Very low | 198 Ų | 198 | 146.5 Ų | 146.5 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | trans | -66 | 159.7 | -173.4 | -65.9 | -164 | 119.7 | 0 | 0 | 114.1 | G259 | E257-G259 PolarHBondContact O-N 3.07Š| ||
| 258 | K | 37.1 | Very low | 39.7 | Very low | 201 Ų | 201 | 146.7 Ų | 146.7 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -84.4 | 111.2 | -170.5 | -178.8 | -173.8 | 175.9 | -170.6 | 0 | 110.9 | ||||
| 259 | G | 42.6 | Very low | 39.3 | Very low | 67 Ų | 67 | 147 Ų | 147 | 69% | 0.691 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 148.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E257 | E257-G259 PolarHBondContact O-N 3.07Š|
| 260 | E | 35.9 | Very low | 39.2 | Very low | 203 Ų | 203 | 145 Ų | 145 | 95% | 0.949 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 168.5 | 178.6 | -65.6 | -158.5 | 116.1 | 0 | 0 | 113.3 | ||
| 261 | K | 39.6 | Very low | 39 | Very low | 199 Ų | 199 | 145 Ų | 145 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 122.1 | -156.8 | 179.6 | -174.2 | 175 | -162.5 | 0 | 113.3 | ||
| 262 | G | 38.3 | Very low | 38.8 | Very low | 62 Ų | 62 | 143.4 Ų | 143.4 | 64% | 0.639 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 164.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 263 | E | 34.7 | Very low | 38.7 | Very low | 202 Ų | 202 | 147.5 Ų | 147.5 | 94% | 0.944 | 82% | 0.822 | S | S | * | * | trans | -86.5 | -177.8 | -168.6 | -60.6 | -173.2 | 120.9 | 0 | 0 | 114.6 | ||||
| 264 | A | 39.3 | Very low | 38.7 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 88% | 0.884 | 82% | 0.821 | S | S | * | * | trans | -132.8 | 152.5 | -160.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 265 | G | 37.2 | Very low | 38.2 | Very low | 71 Ų | 71 | 143.9 Ų | 143.9 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | 142 | 143.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 266 | M | 32.5 | Very low | 38.2 | Very low | 190 Ų | 190 | 137.5 Ų | 137.5 | 94% | 0.936 | 81% | 0.808 | S | S | * | * | cis | -146.8 | -162.9 | -2.9 | -104.6 | -171.6 | 75.2 | 0 | 0 | 111 | ||||
| 267 | E | 39 | Very low | 37.9 | Very low | 175 Ų | 175 | 138 Ų | 138 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -100.9 | 167.4 | -152.6 | 179.6 | 170.5 | -146.2 | 0 | 0 | 116.8 | ||||
| 268 | G | 39.6 | Very low | 37.6 | Very low | 69 Ų | 69 | 133.4 Ų | 133.4 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | 143.7 | 87.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 269 | E | 35.2 | Very low | 37.8 | Very low | 170 Ų | 170 | 131.4 Ų | 131.4 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | 100.2 | 90.9 | 72.2 | -87 | -92.4 | 81.9 | 0 | 0 | 114.6 | |||||
| 270 | K | 37.7 | Very low | 37.5 | Very low | 200 Ų | 200 | 131.9 Ų | 131.9 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | trans | 17.2 | 136.7 | 138 | -159 | -179.3 | -168.2 | 177 | 0 | 122.5 | ||||
| 271 | G | 40.3 | Very low | 37.4 | Very low | 63 Ų | 63 | 130.7 Ų | 130.7 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | trans | 174.7 | 91.6 | 154.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 272 | S | 36.4 | Very low | 37.3 | Very low | 123 Ų | 123 | 125.2 Ų | 125.2 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | 98.4 | 127.3 | 75.2 | 61.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 273 | R | 43.3 | Very low | 37.2 | Very low | 211 Ų | 211 | 125.7 Ų | 125.7 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | trans | -84.9 | 148.2 | -177.3 | 168.7 | -178.8 | 172.8 | 159.5 | 2.4 | 111.9 | D275 | R273-D275 IonicContact CZ-OD1 2.69Å; R273-D275 VanDerWaalsContact CZ-OD1 3.25Å; R273-D275 IonicContact CZ-OD2 3.09Å; R273-D275 IonicContact NE-OD1 2.82Å; R273-D275 PolarHBondContact NE-OD1 3.01Å; R273-D275 IonicContact NE-OD2 3.25Å; R273-D275 PolarHBondContact NE-OD2 3.19Å; R273-D275 VanDerWaalsContact NE-OD2 3.09Å; R273-D275 IonicContact NH2-OD1 2.89Å; R273-D275 PolarHBondContact NH2-OD1 2.81Å; R273-D275 IonicContact NH2-OD2 2.96Å | ||
| 274 | G | 41.9 | Very low | 37 | Very low | 72 Ų | 72 | 124.7 Ų | 124.7 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | -132.6 | 148 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 275 | D | 31.1 | Very low | 36.9 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 68% | 0.684 | 81% | 0.806 | S | S | * | * | trans | -107.4 | -173.3 | -172.4 | -72.6 | -74.8 | 0 | 0 | 0 | 112.9 | R273 | R273-D275 IonicContact CZ-OD1 2.69Å; R273-D275 VanDerWaalsContact CZ-OD1 3.25Å; R273-D275 IonicContact CZ-OD2 3.09Å; R273-D275 IonicContact NE-OD1 2.82Å; R273-D275 PolarHBondContact NE-OD1 3.01Å; R273-D275 IonicContact NE-OD2 3.25Å; R273-D275 PolarHBondContact NE-OD2 3.19Å; R273-D275 VanDerWaalsContact NE-OD2 3.09Å; R273-D275 IonicContact NH2-OD1 2.89Å; R273-D275 PolarHBondContact NH2-OD1 2.81Å; R273-D275 IonicContact NH2-OD2 2.96Å | ||
| 276 | A | 38.4 | Very low | 37 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -81.5 | 163.9 | -159.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 277 | G | 37.6 | Very low | 36.9 | Very low | 78 Ų | 78 | 126.8 Ų | 126.8 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -148.4 | 156.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 278 | A | 32.9 | Very low | 36.8 | Very low | 103 Ų | 103 | 124.3 Ų | 124.3 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -136 | 160.1 | -160 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 279 | E | 39.5 | Very low | 36.9 | Very low | 159 Ų | 159 | 124.6 Ų | 124.6 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | trans | 48.1 | 127.4 | 156.9 | -160.1 | 177.4 | 162.8 | 0 | 0 | 121 | K281 | E279-K281 WeakPolarHBondContact OE1-CE 3.4Å; E279-K281 IonicContact OE1-NZ 3.14Å; E279-K281 PolarHBondContact OE1-NZ 3.33Å | ||
| 280 | G | 36.9 | Very low | 37 | Very low | 77 Ų | 77 | 122.7 Ų | 122.7 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -159.8 | 143.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 281 | K | 33.5 | Very low | 37 | Very low | 177 Ų | 177 | 124.6 Ų | 124.6 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | -115.2 | 126.5 | -164.4 | -69.4 | 176 | 179.8 | 151.8 | 0 | 115 | E279 | E279-K281 WeakPolarHBondContact OE1-CE 3.4Å; E279-K281 IonicContact OE1-NZ 3.14Å; E279-K281 PolarHBondContact OE1-NZ 3.33Å | ||
| 282 | G | 38 | Very low | 37 | Very low | 85 Ų | 85 | 125.1 Ų | 125.1 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | 73.6 | 138.5 | 133.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 283 | G | 36.5 | Very low | 36.9 | Very low | 71 Ų | 71 | 126.5 Ų | 126.5 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | 157.8 | 107.4 | 159.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 284 | L | 30.3 | Very low | 37 | Very low | 181 Ų | 181 | 122.2 Ų | 122.2 | 95% | 0.948 | 81% | 0.811 | S | S | * | * | trans | 71.1 | 150.9 | 151.4 | -53.1 | 177.6 | 0 | 0 | 0 | 120.6 | ||||
| 285 | D | 37.9 | Very low | 37 | Very low | 172 Ų | 172 | 122 Ų | 122 | 92% | 0.92 | 81% | 0.809 | S | S | * | * | trans | -89.4 | 156.3 | 179.2 | -65.4 | -70.9 | 0 | 0 | 0 | 113.6 | ||||
| 286 | G | 38.5 | Very low | 37.3 | Very low | 67 Ų | 67 | 122.2 Ų | 122.2 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | trans | 135.7 | 106.2 | 140.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 287 | L | 29.9 | Very low | 37.5 | Very low | 174 Ų | 174 | 126.7 Ų | 126.7 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | trans | 67.6 | 163.7 | 155.8 | -48.1 | 173.1 | 0 | 0 | 0 | 117.7 | ||||
| 288 | P | 37.3 | Very low | 37.8 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | cis | -110.2 | 172.1 | -27.7 | 14.7 | 8.2 | 0 | 0 | 0 | 111.9 | ||||
| 289 | G | 41.1 | Very low | 37.9 | Very low | 75 Ų | 75 | 130.5 Ų | 130.5 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 139.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 290 | P | 38.8 | Very low | 38.1 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 158.3 | -176 | 31 | -35.9 | 0 | 0 | 0 | 114.3 | ||
| 291 | R | 36.9 | Very low | 38.5 | Very low | 240 Ų | 240 | 131.9 Ų | 131.9 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 130.9 | 170.9 | 178 | -179 | -177.4 | 167.8 | 0.2 | 110.2 | ||
| 292 | G | 40.3 | Very low | 38.7 | Very low | 75 Ų | 75 | 131 Ų | 131 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 141 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 293 | D | 35.3 | Very low | 38.9 | Very low | 152 Ų | 152 | 133.3 Ų | 133.3 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 161 | -176.3 | -73.3 | -62.3 | 0 | 0 | 0 | 114.4 | ||
| 294 | P | 44.7 | Very low | 39.3 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 143.7 | 173.3 | -23.9 | 35 | 0 | 0 | 0 | 113.5 | ||
| 295 | G | 41.9 | Very low | 39.7 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 146.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 296 | P | 37.5 | Very low | 40.1 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 142.6 | -172.2 | 26.1 | -34.8 | 0 | 0 | 0 | 112.8 | G298 | P296-G298 PolarHBondContact O-N 3.39Š|
| 297 | K | 42 | Very low | 40.4 | Very low | 202 Ų | 202 | 127.4 Ų | 127.4 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 122.1 | 170 | 178 | 178.4 | 179.3 | 178.4 | 0 | 109.4 | E299 | K297-E299 PolarHBondContact O-N 2.97Š|
| 298 | G | 44 | Very low | 40.8 | Very low | 72 Ų | 72 | 129 Ų | 129 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 132.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P296 | P296-G298 PolarHBondContact O-N 3.39Š|
| 299 | E | 36 | Very low | 41 | Very low | 189 Ų | 189 | 129.8 Ų | 129.8 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 148 | -171.5 | -64.1 | -176.6 | 127.5 | 0 | 0 | 112.3 | K297 G301 | K297-E299 PolarHBondContact O-N 2.97Å; E299-G301 PolarHBondContact O-N 3.34Å; E299-G301 VanDerWaalsContact O-N 3.09Å |
| 300 | K | 43.4 | Very low | 41.1 | Very low | 197 Ų | 197 | 128.8 Ų | 128.8 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | -71.6 | 104 | 172.8 | 178 | -169.4 | 174.6 | -170.8 | 0 | 107.8 | D302 | K300-D302 PolarHBondContact O-N 3.04Š| ||
| 301 | G | 44 | Very low | 41.3 | Very low | 69 Ų | 69 | 128.9 Ų | 128.9 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -45.9 | 133.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | E299 | E299-G301 PolarHBondContact O-N 3.34Å; E299-G301 VanDerWaalsContact O-N 3.09Å | ||
| 302 | D | 37.9 | Very low | 41.6 | Very low | 158 Ų | 158 | 121 Ų | 121 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | -57.9 | 148.8 | -168.5 | -75.3 | -58.2 | 0 | 0 | 0 | 114 | K300 G304 | K300-D302 PolarHBondContact O-N 3.04Å; D302-G304 PolarHBondContact O-N 2.94Å; D302-G304 VanDerWaalsContact O-N 3.14Å | ||
| 303 | T | 42.6 | Very low | 41.6 | Very low | 134 Ų | 134 | 120.1 Ų | 120.1 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -68.5 | 111.7 | 164.6 | -56.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 304 | G | 43.9 | Very low | 42 | Very low | 56 Ų | 56 | 119 Ų | 119 | 58% | 0.577 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 143.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | D302 | D302-G304 PolarHBondContact O-N 2.94Å; D302-G304 VanDerWaalsContact O-N 3.14Å |
| 305 | P | 40.7 | Very low | 42 | Very low | 115 Ų | 115 | 123 Ų | 123 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 145.8 | -169.8 | 23.3 | -34.3 | 0 | 0 | 0 | 111.7 | G307 | P305-G307 PolarHBondContact O-N 3.42Š|
| 306 | P | 46.3 | Very low | 42.1 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 127.5 | 173.8 | -26.4 | 34.8 | 0 | 0 | 0 | 110.7 | F308 | P306-F308 PolarHBondContact O-N 2.9Š|
| 307 | G | 43.1 | Very low | 42.3 | Very low | 70 Ų | 70 | 125.3 Ų | 125.3 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 131.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111 | P305 T309 | P305-G307 PolarHBondContact O-N 3.42Å; G307-T309 PolarHBondContact O-N 3.05Å |
| 308 | F | 38.8 | Very low | 42.2 | Very low | 208 Ų | 208 | 123.9 Ų | 123.9 | 91% | 0.912 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 125.6 | -178.7 | -69 | -84.8 | 0 | 0 | 0 | 111.1 | P306 G310 | P306-F308 PolarHBondContact O-N 2.9Å; F308-G310 PolarHBondContact O-N 3.38Å; F308-G310 VanDerWaalsContact O-N 3.16Å |
| 309 | T | 42.7 | Very low | 42.2 | Very low | 139 Ų | 139 | 122.7 Ų | 122.7 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 121.4 | 167.5 | -50.9 | 0 | 0 | 0 | 0 | 108.3 | G307 | G307-T309 PolarHBondContact O-N 3.05Š|
| 310 | G | 42.4 | Very low | 42.4 | Very low | 54 Ų | 54 | 119.1 Ų | 119.1 | 56% | 0.557 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 148.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | F308 G312 | F308-G310 PolarHBondContact O-N 3.38Å; F308-G310 VanDerWaalsContact O-N 3.16Å; G310-G312 PolarHBondContact O-N 3.03Å |
| 311 | P | 43.4 | Very low | 42.4 | Very low | 131 Ų | 131 | 119.6 Ų | 119.6 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 135.3 | 178.8 | 24.8 | -34.1 | 0 | 0 | 0 | 109.8 | G313 | P311-G313 PolarHBondContact O-N 3.45Š|
| 312 | G | 41.8 | Very low | 42.3 | Very low | 76 Ų | 76 | 118.7 Ų | 118.7 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 131.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G310 | G310-G312 PolarHBondContact O-N 3.03Š|
| 313 | G | 41.9 | Very low | 42.4 | Very low | 56 Ų | 56 | 115.9 Ų | 115.9 | 58% | 0.577 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 148.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P311 K315 | P311-G313 PolarHBondContact O-N 3.45Å; G313-K315 PolarHBondContact O-N 2.88Å |
| 314 | P | 43.8 | Very low | 42.4 | Very low | 129 Ų | 129 | 120.3 Ų | 120.3 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 130.8 | -175.5 | 23.3 | -33.8 | 0 | 0 | 0 | 110.2 | G316 | P314-G316 PolarHBondContact O-N 2.65Š|
| 315 | K | 44.1 | Very low | 42.2 | Very low | 204 Ų | 204 | 119.8 Ų | 119.8 | 89% | 0.887 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 117.9 | 177.6 | 178.4 | -178.6 | 176.2 | -177.1 | 0 | 108.5 | G313 | G313-K315 PolarHBondContact O-N 2.88Š|
| 316 | G | 43.6 | Very low | 42.3 | Very low | 54 Ų | 54 | 120.3 Ų | 120.3 | 56% | 0.557 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 141.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | P314 | P314-G316 PolarHBondContact O-N 2.65Š|
| 317 | E | 41.4 | Very low | 42.2 | Very low | 194 Ų | 194 | 120 Ų | 120 | 91% | 0.907 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 141.8 | -172.9 | -62.1 | -167.6 | 148.5 | 0 | 0 | 111.5 | G319 | E317-G319 PolarHBondContact O-N 2.94Š|
| 318 | L | 41.4 | Very low | 42.1 | Very low | 172 Ų | 172 | 119.4 Ų | 119.4 | 90% | 0.901 | 74% | 0.741 | S | S | * | * | trans | -68.4 | 105.2 | 178.9 | -178.5 | 65.8 | 0 | 0 | 0 | 108.8 | S320 | L318-S320 PolarHBondContact O-N 2.75Š| ||
| 319 | G | 42.5 | Very low | 42.2 | Very low | 46 Ų | 46 | 119.6 Ų | 119.6 | 47% | 0.474 | 74% | 0.742 | S | S | . | * | trans | -42.8 | 131.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E317 K321 | E317-G319 PolarHBondContact O-N 2.94Å; G319-K321 PolarHBondContact O-N 2.94Å | ||
| 320 | S | 41 | Very low | 42.3 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | -56.7 | 136 | -167.2 | 60.1 | 0 | 0 | 0 | 0 | 111.3 | L318 G322 | L318-S320 PolarHBondContact O-N 2.75Å; S320-G322 PolarHBondContact O-N 2.84Å | ||
| 321 | K | 43.2 | Very low | 42.3 | Very low | 208 Ų | 208 | 122.6 Ų | 122.6 | 90% | 0.904 | 74% | 0.743 | S | S | * | * | trans | -64.4 | 100.9 | -176.4 | -177.1 | 176.4 | -179.3 | 176.4 | 0 | 109.2 | G319 | G319-K321 PolarHBondContact O-N 2.94Š| ||
| 322 | G | 41.4 | Very low | 42.3 | Very low | 49 Ų | 49 | 122 Ų | 122 | 51% | 0.505 | 74% | 0.741 | S | S | . | * | trans | -42.6 | 136.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S320 | S320-G322 PolarHBondContact O-N 2.84Š| ||
| 323 | A | 39.7 | Very low | 42.7 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -52.1 | 140.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G325 | A323-G325 PolarHBondContact O-N 2.7Š| ||
| 324 | R | 42.5 | Very low | 42.9 | Very low | 228 Ų | 228 | 129.8 Ų | 129.8 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | trans | -62.6 | 106.3 | 175.8 | 178.4 | 179.3 | 176.4 | 165.9 | -0.3 | 108.4 | ||||
| 325 | G | 40.9 | Very low | 43.1 | Very low | 44 Ų | 44 | 130.5 Ų | 130.5 | 45% | 0.454 | 75% | 0.746 | S | S | . | * | trans | -49 | 146.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | A323 T327 | A323-G325 PolarHBondContact O-N 2.7Å; G325-T327 PolarHBondContact O-N 2.88Å | ||
| 326 | P | 42.9 | Very low | 43.5 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | trans | -56.1 | 136 | -168.3 | 22.4 | -33.9 | 0 | 0 | 0 | 111.3 | G328 | P326-G328 PolarHBondContact O-N 2.92Š| ||
| 327 | T | 43.6 | Very low | 43.8 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | trans | -53.1 | 115.2 | 178.3 | -59.7 | 0 | 0 | 0 | 0 | 109.5 | G325 K329 | G325-T327 PolarHBondContact O-N 2.88Å; T327-K329 PolarHBondContact O-N 2.83Å | ||
| 328 | G | 41.3 | Very low | 44.2 | Very low | 56 Ų | 56 | 126.5 Ų | 126.5 | 58% | 0.577 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 132.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P326 K330 | P326-G328 PolarHBondContact O-N 2.92Å; G328-K330 PolarHBondContact O-N 2.86Å; G328-K330 VanDerWaalsContact O-N 3.12Å |
| 329 | K | 40.9 | Very low | 44.7 | Very low | 213 Ų | 213 | 128.1 Ų | 128.1 | 93% | 0.926 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -52 | 122.1 | -179.3 | -69.7 | 179.3 | -179.9 | 175.3 | 0 | 108.6 | T327 G331 | T327-K329 PolarHBondContact O-N 2.83Å; K329-G331 PolarHBondContact O-N 2.84Å |
| 330 | K | 44 | Very low | 45 | Very low | 204 Ų | 204 | 128.6 Ų | 128.6 | 89% | 0.887 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 118.7 | 179.8 | -178.4 | 175.9 | -177.5 | 173.9 | 0 | 108.7 | G328 S332 | G328-K330 PolarHBondContact O-N 2.86Å; G328-K330 VanDerWaalsContact O-N 3.12Å; K330-S332 PolarHBondContact O-N 2.87Å |
| 331 | G | 43.1 | Very low | 45.5 | Very low | 52 Ų | 52 | 131.9 Ų | 131.9 | 54% | 0.536 | 75% | 0.749 | S | S | . | * | P | Polyproline II helix | trans | -48.5 | 138.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K329 R333 | K329-G331 PolarHBondContact O-N 2.84Å; G331-R333 PolarHBondContact O-N 2.89Å |
| 332 | S | 43.8 | Very low | 45.8 | Very low | 118 Ų | 118 | 126 Ų | 126 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 140.4 | 178.3 | 47.4 | 0 | 0 | 0 | 0 | 109.6 | K330 G334 | K330-S332 PolarHBondContact O-N 2.87Å; S332-G334 PolarHBondContact O-N 2.88Å |
| 333 | R | 49.9 | Very low | 46.6 | Very low | 247 Ų | 247 | 129.6 Ų | 129.6 | 93% | 0.932 | 75% | 0.751 | S | S | * | * | trans | -58.9 | 111.4 | 177.4 | -179.9 | 179 | -176.5 | 166.8 | 1.4 | 107.3 | G331 V335 | G331-R333 PolarHBondContact O-N 2.89Å; R333-V335 PolarHBondContact O-N 2.86Å | ||
| 334 | G | 45.5 | Very low | 47.7 | Very low | 49 Ų | 49 | 133.7 Ų | 133.7 | 51% | 0.505 | 75% | 0.753 | S | S | . | * | trans | -47.9 | 137.7 | -178 | 0 | 0 | 0 | 0 | 0 | 110.8 | S332 K336 | S332-G334 PolarHBondContact O-N 2.88Å; G334-K336 PolarHBondContact O-N 2.85Å | ||
| 335 | V | 47.8 | Very low | 49.2 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 87% | 0.867 | 74% | 0.741 | S | S | * | * | trans | -47.7 | 128.7 | -175.7 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | R333 G337 | R333-V335 PolarHBondContact O-N 2.86Å; V335-G337 PolarHBondContact O-N 3Å | ||
| 336 | K | 53.5 | Low | 51.2 | Low | 198 Ų | 198 | 128.3 Ų | 128.3 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | trans | -55.1 | 114.5 | 176 | 179.4 | -174.9 | 175.7 | -173.1 | 0 | 106.5 | G334 S338 | G334-K336 PolarHBondContact O-N 2.85Å; K336-S338 PolarHBondContact O-N 2.86Å | ||
| 337 | G | 50.3 | Low | 53.4 | Low | 56 Ų | 56 | 127.8 Ų | 127.8 | 58% | 0.577 | 72% | 0.724 | S | S | * | * | trans | -49 | 142.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V335 K339 | V335-G337 PolarHBondContact O-N 3Å; G337-K339 PolarHBondContact O-N 2.79Å | ||
| 338 | S | 49.1 | Very low | 55.9 | Low | 114 Ų | 114 | 122.3 Ų | 122.3 | 80% | 0.797 | 69% | 0.691 | S | S | * | * | trans | -46.2 | 135.9 | 175.5 | 35.3 | 0 | 0 | 0 | 0 | 109.2 | K336 G340 | K336-S338 PolarHBondContact O-N 2.86Å; S338-G340 PolarHBondContact O-N 2.53Å | ||
| 339 | K | 51.1 | Low | 58.6 | Low | 206 Ų | 206 | 121.1 Ų | 121.1 | 90% | 0.896 | 68% | 0.675 | S | S | * | * | trans | -55.8 | 115.3 | 170.1 | -179.5 | -171.4 | 177.1 | -169.7 | 0 | 105.2 | G337 E341 | G337-K339 PolarHBondContact O-N 2.79Å; K339-E341 PolarHBondContact O-N 2.98Å | ||
| 340 | G | 50.2 | Low | 61.3 | Low | 57 Ų | 57 | 111.2 Ų | 111.2 | 59% | 0.588 | 63% | 0.633 | S | S | * | * | trans | -50.8 | 128.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | S338 A342 | S338-G340 PolarHBondContact O-N 2.53Å; G340-A342 PolarHBondContact O-N 2.86Å | ||
| 341 | E | 51.6 | Low | 63.9 | Low | 183 Ų | 183 | 102.7 Ų | 102.7 | 86% | 0.855 | 60% | 0.599 | S | S | * | * | trans | -64.5 | 103.4 | 174.1 | -171.7 | 169.6 | -178.4 | 0 | 0 | 106.4 | K339 T343 | K339-E341 PolarHBondContact O-N 2.98Å; E341-T343 VanDerWaalsContact C-N 3.34Å; E341-T343 PolarHBondContact O-N 2.92Å | ||
| 342 | A | 49.3 | Very low | 66.5 | Low | 83 Ų | 83 | 100.2 Ų | 100.2 | 69% | 0.686 | 57% | 0.573 | S | S | * | * | trans | -68.8 | 101 | 173.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | G340 Q344 | G340-A342 PolarHBondContact O-N 2.86Å; A342-Q344 PolarHBondContact O-N 2.88Å | ||
| 343 | T | 57.8 | Low | 69.1 | Low | 126 Ų | 126 | 95.6 Ų | 95.6 | 77% | 0.773 | 54% | 0.539 | S | S | * | . | trans | -45.7 | 111.3 | 171.1 | -50.4 | 0 | 0 | 0 | 0 | 107.1 | E341 V345 | E341-T343 VanDerWaalsContact C-N 3.34Å; E341-T343 PolarHBondContact O-N 2.92Å; T343-V345 VanDerWaalsContact C-N 3.29Å; T343-V345 PolarHBondContact O-N 3.12Å | ||
| 344 | Q | 63.1 | Low | 71.4 | Confident | 184 Ų | 184 | 84 Ų | 84 | 86% | 0.86 | 50% | 0.496 | S | S | * | . | trans | -69.6 | 94.4 | -176 | -72.5 | -174.5 | -20.7 | 0 | 0 | 107.5 | A342 P346 | A342-Q344 PolarHBondContact O-N 2.88Å; Q344-P346 VanDerWaalsContact O-CD 3.31Å; Q344-P346 WeakPolarHBondContact O-CD 3.33Å | ||
| 345 | V | 73.8 | Confident | 73.8 | Confident | 101 Ų | 101 | 83.6 Ų | 83.6 | 61% | 0.612 | 49% | 0.485 | S | S | * | . | trans | -54.1 | 120.7 | 169.7 | -179.9 | 0 | 0 | 0 | 0 | 106.1 | T343 Q347 | T343-V345 VanDerWaalsContact C-N 3.29Å; T343-V345 PolarHBondContact O-N 3.12Å; V345-Q347 PolarHBondContact O-N 2.91Å | ||
| 346 | P | 83.1 | Confident | 76 | Confident | 58 Ų | 58 | 83.9 Ų | 83.9 | 38% | 0.377 | 48% | 0.475 | S | S | . | . | trans | -57.4 | 117.3 | 177.1 | -24.8 | 34.5 | 0 | 0 | 0 | 109.1 | Q344 A389 L471 P474 | Q344-P346 VanDerWaalsContact O-CD 3.31Å; Q344-P346 WeakPolarHBondContact O-CD 3.33Å; P346-A389 HydrophobicContact CB-CB 3.91Å; P346-L471 HydrophobicContact CB-CD2 3.99Å; P346-P474 HydrophobicContact CB-CB 4.09Å; P346-P474 HydrophobicContact CG-CB 3.84Å; P346-P474 HydrophobicContact CG-CG 4.46Å | ||
| 347 | Q | 89.6 | Confident | 78 | Confident | 117 Ų | 117 | 76.8 Ų | 76.8 | 55% | 0.547 | 45% | 0.449 | S | S | . | . | trans | -105.2 | 140.3 | 169.7 | -68.5 | -179.9 | -12 | 0 | 0 | 107 | V345 Q375 | V345-Q347 PolarHBondContact O-N 2.91Å; Q347-Q375 WeakPolarHBondContact O-CG 3.25Å | ||
| 348 | S | 95.4 | Very high | 80.1 | Confident | 3 Ų | 3 | 78.4 Ų | 78.4 | 2% | 0.021 | 44% | 0.44 | C | S | . | . | trans | -162.1 | 100.3 | -178.6 | 173.3 | 0 | 0 | 0 | 0 | 105.8 | D377 Y393 F470 L471 | S348-D377 WeakPolarHBondContact CA-OD2 3.24Å; S348-D377 WeakPolarHBondContact CB-OD2 3.27Å; S348-D377 PolarHBondContact OG-OD2 3.03Å; S348-Y393 WeakPolarHBondContact CB-OH 3.46Å; S348-Y393 WeakPolarHBondContact OG-CE1 3.42Å; S348-Y393 PolarHBondContact OG-OH 3.09Å; S348-F470 CarbonylContact O-C 3.15Å; S348-F470 WeakPolarHBondContact O-CA 3.31Å; S348-L471 PolarHBondContact O-N 3.38Å | ||
| 349 | A | 96.9 | Very high | 82.3 | Confident | 31 Ų | 31 | 73.9 Ų | 73.9 | 26% | 0.256 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 147.4 | -174 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q375 G469 F470 | A349-Q375 PolarHBondContact O-OE1 3.41Å; A349-G469 CarbonylContact C-O 3.59Å; A349-G469 WeakPolarHBondContact CA-O 3.19Å; A349-F470 HydrophobicContact CB-CB 3.83Å |
| 350 | F | 98.3 | Very high | 84.5 | Confident | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.026 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 156.8 | 170.4 | 76.2 | -76.9 | 0 | 0 | 0 | 111.6 | S372 N373 Y378 F385 F395 F467 S468 G469 | F350-S372 CarbonylContact C-O 3.57Å; F350-S372 VanDerWaalsContact CA-O 3.26Å; F350-S372 WeakPolarHBondContact CA-O 3.38Å; F350-N373 HydrophobicContact CB-CB 4.44Å; F350-Y378 HydrophobicContact CB-CG 4.25Å; F350-Y378 HydrophobicContact CD2-CD1 4.14Å; F350-Y378 AromaticContact CD2-CD2 3.69Å; F350-Y378 HydrophobicContact CD2-CD2 3.69Å; F350-Y378 HydrophobicContact CD2-CE2 4.4Å; F350-Y378 AromaticContact CD2-CG 3.56Å; F350-Y378 HydrophobicContact CD2-CG 3.56Å; F350-Y378 AromaticContact CE2-CD2 3.7Å; F350-Y378 HydrophobicContact CE2-CD2 3.7Å; F350-Y378 HydrophobicContact CE2-CE2 4.18Å; F350-Y378 HydrophobicContact CE2-CG 4.08Å; F350-Y378 VanDerWaalsContact CG-CB 3.48Å; F350-Y378 HydrophobicContact CG-CD2 4.25Å; F350-Y378 AromaticContact CG-CG 3.89Å; F350-Y378 HydrophobicContact CG-CG 3.89Å; F350-Y378 HydrophobicContact CZ-CD2 4.24Å; F350-F385 HydrophobicContact CD1-CB 4.35Å; F350-F385 AromaticContact CD1-CD2 3.34Å; F350-F385 HydrophobicContact CD1-CD2 3.34Å; F350-F385 AromaticContact CD1-CE2 3.94Å; F350-F385 HydrophobicContact CD1-CE2 3.94Å; F350-F385 HydrophobicContact CD1-CG 4.09Å; F350-F385 HydrophobicContact CE1-CB 3.77Å; F350-F385 AromaticContact CE1-CD2 3.45Å; F350-F385 HydrophobicContact CE1-CD2 3.45Å; F350-F385 VanDerWaalsContact CE1-CD2 3.45Å; F350-F385 HydrophobicContact CE1-CE2 4.23Å; F350-F385 AromaticContact CE1-CG 3.71Å; F350-F385 HydrophobicContact CE1-CG 3.71Å; F350-F385 HydrophobicContact CG-CD2 4.36Å; F350-F385 HydrophobicContact CZ-CB 4.13Å; F350-F395 HydrophobicContact CE1-CD1 4.22Å; F350-F395 AromaticContact CE1-CE1 3.92Å; F350-F395 HydrophobicContact CE1-CE1 3.92Å; F350-F395 HydrophobicContact CZ-CD1 4.29Å; F350-F395 HydrophobicContact CZ-CE1 4.31Å; F350-F467 AromaticContact CE2-CD1 3.69Å; F350-F467 HydrophobicContact CE2-CD1 3.69Å; F350-F467 AromaticContact CE2-CE1 3.84Å; F350-F467 HydrophobicContact CE2-CE1 3.84Å; F350-F467 HydrophobicContact CE2-CG 4.18Å; F350-F467 HydrophobicContact CE2-CZ 4.44Å; F350-F467 AromaticContact CZ-CD1 3.92Å; F350-F467 HydrophobicContact CZ-CD1 3.92Å; F350-F467 AromaticContact CZ-CE1 3.6Å; F350-F467 HydrophobicContact CZ-CE1 3.6Å; F350-F467 HydrophobicContact CZ-CE2 4.34Å; F350-F467 HydrophobicContact CZ-CG 4.42Å; F350-F467 AromaticContact CZ-CZ 3.83Å; F350-F467 HydrophobicContact CZ-CZ 3.83Å; F350-S468 WeakPolarHBondContact O-CA 3.44Å; F350-G469 WeakPolarHBondContact CD1-O 3.26Å; F350-G469 PolarHBondContact N-O 3.34Å; F350-G469 PolarHBondContact O-N 3.22Å |
| 351 | S | 98.4 | Very high | 86.7 | Confident | 25 Ų | 25 | 66.2 Ų | 66.2 | 18% | 0.175 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 122.7 | 171.4 | 176.7 | 0 | 0 | 0 | 0 | 107.5 | L371 S372 S468 | S351-L371 WeakPolarHBondContact O-CB 3.45Å; S351-L371 PolarHBondContact O-N 3.16Å; S351-S372 PolarHBondContact N-O 2.82Å; S351-S372 PolarHBondContact O-N 2.85Å; S351-S372 VanDerWaalsContact O-N 3.16Å; S351-S468 PolarHBondContact OG-OG 3.16Å |
| 352 | A | 98.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 137.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F367 K369 I370 Y378 I466 F467 | A352-F367 HydrophobicContact CB-CB 3.55Å; A352-F367 WeakPolarHBondContact O-CD1 3.36Å; A352-K369 WeakPolarHBondContact CA-O 3.1Å; A352-I370 HydrophobicContact CB-CD1 3.89Å; A352-Y378 HydrophobicContact CB-CD1 4.35Å; A352-Y378 HydrophobicContact CB-CE1 3.86Å; A352-I466 WeakPolarHBondContact O-CA 3.23Å; A352-F467 PolarHBondContact N-O 2.69Å; A352-F467 PolarHBondContact O-N 3.31Å |
| 353 | L | 98.1 | Very high | 91 | Very high | 21 Ų | 21 | 61.7 Ų | 61.7 | 11% | 0.11 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 152.2 | 176 | -72.1 | 167.6 | 0 | 0 | 0 | 111.3 | F367 D368 K369 L371 D464 S465 I466 | L353-F367 CarbonylContact O-C 3.59Å; L353-F367 WeakPolarHBondContact O-CA 3.36Å; L353-D368 PolarHBondContact O-N 2.9Å; L353-K369 HydrophobicContact CB-CB 3.68Å; L353-K369 HydrophobicContact CB-CD 3.83Å; L353-K369 HydrophobicContact CB-CG 4.46Å; L353-K369 HydrophobicContact CD1-CD 4.48Å; L353-K369 PolarHBondContact N-O 2.87Å; L353-K369 WeakPolarHBondContact O-CB 3.39Å; L353-K369 PolarHBondContact O-N 3.43Å; L353-L371 HydrophobicContact CD1-CD1 3.86Å; L353-L371 HydrophobicContact CD1-CD2 3.92Å; L353-L371 HydrophobicContact CD1-CG 4.01Å; L353-L371 HydrophobicContact CG-CD1 3.87Å; L353-L371 HydrophobicContact CG-CG 4.19Å; L353-D464 HydrophobicContact CD2-CB 3.98Å; L353-S465 WeakPolarHBondContact CA-O 3.46Å; L353-I466 HydrophobicContact CD2-CB 3.66Å; L353-I466 HydrophobicContact CD2-CD1 4.29Å; L353-I466 HydrophobicContact CD2-CG1 3.96Å; L353-I466 HydrophobicContact CG-CG1 4.41Å |
| 354 | L | 97.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 134.5 | 173 | -173.5 | 65.9 | 0 | 0 | 0 | 110 | K356 I365 F367 L457 V459 S465 | L354-K356 WeakPolarHBondContact CD2-O 3.48Å; L354-K356 VanDerWaalsContact CG-O 3.26Å; L354-K356 WeakPolarHBondContact CG-O 3.38Å; L354-I365 HydrophobicContact CD1-CG2 3.95Å; L354-F367 HydrophobicContact CB-CD1 3.98Å; L354-F367 HydrophobicContact CB-CE1 4.19Å; L354-L457 HydrophobicContact CD2-CD2 3.95Å; L354-L457 HydrophobicContact CD2-CG 4.4Å; L354-V459 HydrophobicContact CB-CG1 4.26Å; L354-V459 HydrophobicContact CD2-CG1 3.95Å; L354-V459 HydrophobicContact CG-CG1 3.92Å; L354-V459 WeakPolarHBondContact O-CG2 3.42Å; L354-S465 PolarHBondContact N-O 2.77Å |
| 355 | S | 95.6 | Very high | 94.5 | Very high | 40 Ų | 40 | 48.4 Ų | 48.4 | 28% | 0.28 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -88 | -24.9 | 173.4 | 71.5 | 0 | 0 | 0 | 0 | 114.8 | D368 | S355-D368 WeakPolarHBondContact CB-OD1 3.32Å; S355-D368 VanDerWaalsContact CB-OD2 3.28Å; S355-D368 WeakPolarHBondContact CB-OD2 3.36Å; S355-D368 PolarHBondContact N-OD1 2.87Å; S355-D368 PolarHBondContact OG-OD1 2.92Å; S355-D368 PolarHBondContact OG-OD2 2.68Å |
| 356 | K | 95.3 | Very high | 95.7 | Very high | 149 Ų | 149 | 48.5 Ų | 48.5 | 65% | 0.648 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -136.3 | 133.3 | -169.6 | -71.6 | 164.6 | -172.2 | 171 | 0 | 111.9 | L354 | L354-K356 WeakPolarHBondContact CD2-O 3.48Å; L354-K356 VanDerWaalsContact CG-O 3.26Å; L354-K356 WeakPolarHBondContact CG-O 3.38Å |
| 357 | P | 95.3 | Very high | 96.4 | Very high | 49 Ų | 49 | 45.8 Ų | 45.8 | 32% | 0.318 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -66.9 | 162.6 | 176.5 | 30.3 | -36.2 | 0 | 0 | 0 | 111.2 | Y458 V459 | P357-Y458 HydrophobicContact CB-CD2 3.54Å; P357-Y458 HydrophobicContact CB-CE2 3.9Å; P357-Y458 HydrophobicContact CB-CG 4.26Å; P357-Y458 HydrophobicContact CG-CD2 4.39Å; P357-Y458 HydrophobicContact CG-CE2 4.26Å; P357-V459 HydrophobicContact CB-CG1 4.48Å |
| 358 | F | 94.4 | Very high | 96.7 | Very high | 90 Ų | 90 | 43.6 Ų | 43.6 | 40% | 0.395 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 55.3 | 56 | 173.9 | -46.4 | -46.2 | 0 | 0 | 0 | 114 | N455 L457 Y458 | F358-N455 WeakPolarHBondContact CD1-O 3.27Å; F358-L457 VanDerWaalsContact CD1-O 3.31Å; F358-L457 WeakPolarHBondContact CD1-O 3.47Å; F358-L457 PolarHBondContact N-O 3.48Å; F358-Y458 HydrophobicContact CE1-CD2 4.14Å; F358-Y458 HydrophobicContact CE2-CD2 4.42Å; F358-Y458 AromaticContact CZ-CD2 3.84Å; F358-Y458 HydrophobicContact CZ-CD2 3.84Å; F358-Y458 HydrophobicContact CZ-CE2 4.26Å |
| 359 | P | 95.9 | Very high | 96.8 | Very high | 18 Ų | 18 | 47.7 Ų | 47.7 | 12% | 0.117 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 157.1 | -178.8 | 28.1 | -35.8 | 0 | 0 | 0 | 111.9 | I365 V450 N455 L457 | P359-I365 HydrophobicContact CB-CG1 4.4Å; P359-I365 HydrophobicContact CB-CG2 4.01Å; P359-I365 HydrophobicContact CG-CD1 4.5Å; P359-I365 HydrophobicContact CG-CG1 4.04Å; P359-I365 HydrophobicContact CG-CG2 3.88Å; P359-V450 HydrophobicContact CG-CG1 4.22Å; P359-N455 PolarHBondContact O-ND2 3.37Å; P359-L457 HydrophobicContact CG-CB 4.37Å; P359-L457 HydrophobicContact CG-CD2 3.83Å |
| 360 | A | 96.2 | Very high | 96.8 | Very high | 55 Ų | 55 | 49.4 Ų | 49.4 | 46% | 0.455 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 126.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I363 | A360-I363 HydrophobicContact CB-CD1 3.7Å; A360-I363 HydrophobicContact CB-CG1 3.91Å; A360-I363 WeakPolarHBondContact O-CG1 3.37Å |
| 361 | P | 95.7 | Very high | 96.8 | Very high | 48 Ų | 48 | 54.1 Ų | 54.1 | 31% | 0.312 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 160.5 | -172.6 | 31.2 | -35.5 | 0 | 0 | 0 | 113.4 | I363 V450 K452 | P361-I363 PolarHBondContact O-N 3.44Å; P361-I363 VanDerWaalsContact O-N 3.08Å; P361-V450 CarbonylContact C-O 3.6Å; P361-V450 WeakPolarHBondContact CA-O 3.19Å; P361-V450 HydrophobicContact CB-CG1 4.35Å; P361-V450 WeakPolarHBondContact CB-O 3.36Å; P361-K452 HydrophobicContact CB-CB 4.1Å; P361-K452 HydrophobicContact CG-CB 4.22Å; P361-K452 HydrophobicContact CG-CG 4.22Å |
| 362 | N | 94.9 | Very high | 96.7 | Very high | 90 Ų | 90 | 54.9 Ų | 54.9 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 16.5 | 179.6 | -57 | -11.7 | 0 | 0 | 0 | 114.5 | V450 K452 | N362-V450 PolarHBondContact N-O 3.41Å; N362-K452 PolarHBondContact OD1-N 2.97Å |
| 363 | I | 96.6 | Very high | 96.6 | Very high | 81 Ų | 81 | 56.3 Ų | 56.3 | 42% | 0.415 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -129.6 | 167.5 | 169.5 | 71.4 | 167.7 | 0 | 0 | 0 | 109.2 | A360 P361 I365 | A360-I363 HydrophobicContact CB-CD1 3.7Å; A360-I363 HydrophobicContact CB-CG1 3.91Å; A360-I363 WeakPolarHBondContact O-CG1 3.37Å; P361-I363 PolarHBondContact O-N 3.44Å; P361-I363 VanDerWaalsContact O-N 3.08Å; I363-I365 PolarHBondContact O-N 3.42Å |
| 364 | P | 97.9 | Very high | 96.5 | Very high | 30 Ų | 30 | 61.6 Ų | 61.6 | 20% | 0.195 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -59.4 | 131 | 177.3 | -22.8 | 32.7 | 0 | 0 | 0 | 112.7 | K366 T382 K384 W447 L448 | P364-K366 PolarHBondContact O-N 2.84Å; P364-T382 VanDerWaalsContact CB-O 3.3Å; P364-T382 WeakPolarHBondContact CB-O 3.18Å; P364-K384 HydrophobicContact CB-CG 4.26Å; P364-K384 HydrophobicContact CG-CG 4.19Å; P364-W447 HydrophobicContact CB-CB 4.12Å; P364-W447 HydrophobicContact CB-CG 3.91Å; P364-W447 HydrophobicContact CG-CD2 4.38Å; P364-W447 HydrophobicContact CG-CG 4.03Å; P364-L448 WeakPolarHBondContact CA-O 3.34Å |
| 365 | I | 98 | Very high | 96.3 | Very high | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | trans | -71.4 | 127.2 | 175.3 | -61.7 | 163.6 | 0 | 0 | 0 | 108.8 | L354 P359 I363 F367 G383 L448 V450 L457 | L354-I365 HydrophobicContact CD1-CG2 3.95Å; P359-I365 HydrophobicContact CB-CG1 4.4Å; P359-I365 HydrophobicContact CB-CG2 4.01Å; P359-I365 HydrophobicContact CG-CD1 4.5Å; P359-I365 HydrophobicContact CG-CG1 4.04Å; P359-I365 HydrophobicContact CG-CG2 3.88Å; I363-I365 PolarHBondContact O-N 3.42Å; I365-F367 HydrophobicContact CB-CD2 4.39Å; I365-F367 HydrophobicContact CB-CE2 3.78Å; I365-F367 HydrophobicContact CB-CZ 4.44Å; I365-F367 HydrophobicContact CG2-CD2 3.93Å; I365-F367 HydrophobicContact CG2-CE2 3.43Å; I365-F367 VanDerWaalsContact CG2-CE2 3.43Å; I365-F367 HydrophobicContact CG2-CZ 3.76Å; I365-F367 PolarHBondContact O-N 2.93Å; I365-G383 VanDerWaalsContact O-CA 3.25Å; I365-G383 WeakPolarHBondContact O-CA 3.33Å; I365-L448 HydrophobicContact CD1-CB 3.9Å; I365-L448 WeakPolarHBondContact CG1-O 3.38Å; I365-L448 PolarHBondContact N-O 3.27Å; I365-V450 HydrophobicContact CD1-CB 4.07Å; I365-V450 HydrophobicContact CD1-CG1 4.42Å; I365-V450 HydrophobicContact CG1-CG1 4.44Å; I365-L457 HydrophobicContact CD1-CD2 3.93Å; I365-L457 HydrophobicContact CG2-CD2 4.26Å | ||
| 366 | K | 97.9 | Very high | 96.3 | Very high | 103 Ų | 103 | 65.4 Ų | 65.4 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | trans | -92.4 | 94.8 | -178.9 | -56.8 | -170.7 | -173.4 | -164.2 | 0 | 110.2 | P364 D368 I381 | P364-K366 PolarHBondContact O-N 2.84Å; K366-D368 PolarHBondContact O-N 3.34Å; K366-I381 WeakPolarHBondContact CD-O 3.26Å; K366-I381 WeakPolarHBondContact CE-O 3.49Å; K366-I381 PolarHBondContact NZ-O 3.5Å | ||
| 367 | F | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 110.4 | 163.3 | -57.4 | -99.1 | 0 | 0 | 0 | 107 | A352 L353 L354 I365 Y378 L448 F467 | A352-F367 HydrophobicContact CB-CB 3.55Å; A352-F367 WeakPolarHBondContact O-CD1 3.36Å; L353-F367 CarbonylContact O-C 3.59Å; L353-F367 WeakPolarHBondContact O-CA 3.36Å; L354-F367 HydrophobicContact CB-CD1 3.98Å; L354-F367 HydrophobicContact CB-CE1 4.19Å; I365-F367 HydrophobicContact CB-CD2 4.39Å; I365-F367 HydrophobicContact CB-CE2 3.78Å; I365-F367 HydrophobicContact CB-CZ 4.44Å; I365-F367 HydrophobicContact CG2-CD2 3.93Å; I365-F367 HydrophobicContact CG2-CE2 3.43Å; I365-F367 VanDerWaalsContact CG2-CE2 3.43Å; I365-F367 HydrophobicContact CG2-CZ 3.76Å; I365-F367 PolarHBondContact O-N 2.93Å; F367-Y378 WeakPolarHBondContact CB-OH 3.05Å; F367-Y378 PolarHBondContact N-OH 2.8Å; F367-Y378 VanDerWaalsContact N-OH 3.12Å; F367-Y378 WeakPolarHBondContact O-CE1 3.31Å; F367-Y378 PolarHBondContact O-OH 3.02Å; F367-L448 HydrophobicContact CE2-CB 4.38Å; F367-L448 HydrophobicContact CE2-CD1 3.99Å; F367-L448 HydrophobicContact CE2-CG 4.5Å; F367-L448 HydrophobicContact CZ-CD1 3.9Å; F367-F467 HydrophobicContact CD1-CB 3.94Å; F367-F467 HydrophobicContact CD2-CB 3.76Å; F367-F467 HydrophobicContact CD2-CD1 4.04Å; F367-F467 HydrophobicContact CD2-CG 4.35Å; F367-F467 HydrophobicContact CE1-CB 3.78Å; F367-F467 HydrophobicContact CE2-CB 3.58Å; F367-F467 HydrophobicContact CE2-CD1 4.07Å; F367-F467 HydrophobicContact CE2-CG 4.13Å; F367-F467 HydrophobicContact CG-CB 3.96Å; F367-F467 HydrophobicContact CZ-CB 3.62Å |
| 368 | D | 96.7 | Very high | 96.5 | Very high | 70 Ų | 70 | 56.8 Ų | 56.8 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | -20.8 | -165.7 | 57.7 | -27.1 | 0 | 0 | 0 | 113.7 | L353 S355 K366 I370 P380 | L353-D368 PolarHBondContact O-N 2.9Å; S355-D368 WeakPolarHBondContact CB-OD1 3.32Å; S355-D368 VanDerWaalsContact CB-OD2 3.28Å; S355-D368 WeakPolarHBondContact CB-OD2 3.36Å; S355-D368 PolarHBondContact N-OD1 2.87Å; S355-D368 PolarHBondContact OG-OD1 2.92Å; S355-D368 PolarHBondContact OG-OD2 2.68Å; K366-D368 PolarHBondContact O-N 3.34Å; D368-I370 PolarHBondContact O-N 2.75Å; D368-P380 HydrophobicContact CB-CB 4.4Å |
| 369 | K | 96.8 | Very high | 96.6 | Very high | 90 Ų | 90 | 54 Ų | 54 | 39% | 0.391 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 90.2 | 165.6 | -72.6 | 172.1 | 176.5 | 173.3 | 0 | 109.1 | A352 L353 D464 | A352-K369 WeakPolarHBondContact CA-O 3.1Å; L353-K369 HydrophobicContact CB-CB 3.68Å; L353-K369 HydrophobicContact CB-CD 3.83Å; L353-K369 HydrophobicContact CB-CG 4.46Å; L353-K369 HydrophobicContact CD1-CD 4.48Å; L353-K369 PolarHBondContact N-O 2.87Å; L353-K369 WeakPolarHBondContact O-CB 3.39Å; L353-K369 PolarHBondContact O-N 3.43Å; K369-D464 IonicContact NZ-OD1 2.67Å |
| 370 | I | 97.9 | Very high | 96.7 | Very high | 67 Ų | 67 | 55 Ų | 55 | 34% | 0.344 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 131.5 | 177.2 | -57.6 | -56.4 | 0 | 0 | 0 | 111 | A352 D368 N373 Y378 P380 | A352-I370 HydrophobicContact CB-CD1 3.89Å; D368-I370 PolarHBondContact O-N 2.75Å; I370-N373 HydrophobicContact CG2-CB 3.62Å; I370-Y378 HydrophobicContact CD1-CD1 3.72Å; I370-Y378 HydrophobicContact CD1-CE1 3.71Å; I370-P380 HydrophobicContact CD1-CB 4.05Å; I370-P380 HydrophobicContact CD1-CG 4.11Å; I370-P380 HydrophobicContact CG1-CG 4.31Å |
| 371 | L | 97.2 | Very high | 96.7 | Very high | 105 Ų | 105 | 58.8 Ų | 58.8 | 55% | 0.55 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -39.5 | 169 | -65.9 | 176.3 | 0 | 0 | 0 | 111.9 | S351 L353 I466 | S351-L371 WeakPolarHBondContact O-CB 3.45Å; S351-L371 PolarHBondContact O-N 3.16Å; L353-L371 HydrophobicContact CD1-CD1 3.86Å; L353-L371 HydrophobicContact CD1-CD2 3.92Å; L353-L371 HydrophobicContact CD1-CG 4.01Å; L353-L371 HydrophobicContact CG-CD1 3.87Å; L353-L371 HydrophobicContact CG-CG 4.19Å; L371-I466 HydrophobicContact CD1-CD1 3.79Å |
| 372 | S | 97.1 | Very high | 96.7 | Very high | 40 Ų | 40 | 59.5 Ų | 59.5 | 28% | 0.28 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 145.1 | 168.5 | 169.4 | 0 | 0 | 0 | 0 | 108.8 | F350 S351 D374 | F350-S372 CarbonylContact C-O 3.57Å; F350-S372 VanDerWaalsContact CA-O 3.26Å; F350-S372 WeakPolarHBondContact CA-O 3.38Å; S351-S372 PolarHBondContact N-O 2.82Å; S351-S372 PolarHBondContact O-N 2.85Å; S351-S372 VanDerWaalsContact O-N 3.16Å; S372-D374 PolarHBondContact OG-OD1 3.16Å |
| 373 | N | 96.3 | Very high | 96.8 | Very high | 31 Ų | 31 | 55.2 Ų | 55.2 | 17% | 0.166 | 30% | 0.304 | C | S | . | . | trans | -168.3 | 47 | 178.4 | -174.4 | 30.6 | 0 | 0 | 0 | 108.8 | F350 I370 Q375 G376 D377 Y378 | F350-N373 HydrophobicContact CB-CB 4.44Å; I370-N373 HydrophobicContact CG2-CB 3.62Å; N373-Q375 PolarHBondContact O-N 2.67Å; N373-Q375 VanDerWaalsContact O-N 3.08Å; N373-G376 PolarHBondContact O-N 3.13Å; N373-D377 PolarHBondContact OD1-N 3.42Å; N373-Y378 PolarHBondContact ND2-O 2.91Å; N373-Y378 PolarHBondContact OD1-N 3.02Å; N373-Y378 VanDerWaalsContact OD1-N 3.08Å | ||
| 374 | D | 94.1 | Very high | 96.9 | Very high | 131 Ų | 131 | 53.1 Ų | 53.1 | 70% | 0.701 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -19.4 | -157.1 | -56 | 10.7 | 0 | 0 | 0 | 112.7 | S372 | S372-D374 PolarHBondContact OG-OD1 3.16Š|
| 375 | Q | 94.3 | Very high | 96.9 | Very high | 74 Ų | 74 | 51.7 Ų | 51.7 | 35% | 0.346 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -10 | 173.7 | -59.8 | 84.7 | 28.3 | 0 | 0 | 114 | Q347 A349 N373 D377 | Q347-Q375 WeakPolarHBondContact O-CG 3.25Å; A349-Q375 PolarHBondContact O-OE1 3.41Å; N373-Q375 PolarHBondContact O-N 2.67Å; N373-Q375 VanDerWaalsContact O-N 3.08Å; Q375-D377 VanDerWaalsContact C-N 3.27Å; Q375-D377 PolarHBondContact O-N 2.86Å |
| 376 | G | 95.3 | Very high | 96.9 | Very high | 50 Ų | 50 | 54.1 Ų | 54.1 | 52% | 0.515 | 30% | 0.295 | S | S | . | . | trans | 75.8 | 6.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | N373 Y378 | N373-G376 PolarHBondContact O-N 3.13Å; G376-Y378 PolarHBondContact O-N 2.86Å | ||
| 377 | D | 96.4 | Very high | 96.8 | Very high | 16 Ų | 16 | 49.4 Ų | 49.4 | 9% | 0.086 | 28% | 0.275 | C | S | . | . | trans | -59.7 | -32.9 | -176.6 | -69.8 | -31 | 0 | 0 | 0 | 113.2 | S348 N373 Q375 F385 N386 S388 | S348-D377 WeakPolarHBondContact CA-OD2 3.24Å; S348-D377 WeakPolarHBondContact CB-OD2 3.27Å; S348-D377 PolarHBondContact OG-OD2 3.03Å; N373-D377 PolarHBondContact OD1-N 3.42Å; Q375-D377 VanDerWaalsContact C-N 3.27Å; Q375-D377 PolarHBondContact O-N 2.86Å; D377-F385 HydrophobicContact CB-CD2 3.89Å; D377-F385 HydrophobicContact CB-CE2 3.43Å; D377-F385 VanDerWaalsContact CB-CE2 3.43Å; D377-F385 HydrophobicContact CB-CZ 4.23Å; D377-N386 WeakPolarHBondContact CB-O 3.42Å; D377-N386 PolarHBondContact O-N 2.82Å; D377-N386 PolarHBondContact O-ND2 3.23Å; D377-S388 WeakPolarHBondContact OD1-CB 3.34Å; D377-S388 PolarHBondContact OD1-OG 3.47Å; D377-S388 PolarHBondContact OD2-OG 2.95Å | ||
| 378 | Y | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 132.3 | 174.4 | 175.4 | -94.6 | 0 | 0 | 0 | 112 | F350 A352 F367 I370 N373 G376 P380 F385 | F350-Y378 HydrophobicContact CB-CG 4.25Å; F350-Y378 HydrophobicContact CD2-CD1 4.14Å; F350-Y378 AromaticContact CD2-CD2 3.69Å; F350-Y378 HydrophobicContact CD2-CD2 3.69Å; F350-Y378 HydrophobicContact CD2-CE2 4.4Å; F350-Y378 AromaticContact CD2-CG 3.56Å; F350-Y378 HydrophobicContact CD2-CG 3.56Å; F350-Y378 AromaticContact CE2-CD2 3.7Å; F350-Y378 HydrophobicContact CE2-CD2 3.7Å; F350-Y378 HydrophobicContact CE2-CE2 4.18Å; F350-Y378 HydrophobicContact CE2-CG 4.08Å; F350-Y378 VanDerWaalsContact CG-CB 3.48Å; F350-Y378 HydrophobicContact CG-CD2 4.25Å; F350-Y378 AromaticContact CG-CG 3.89Å; F350-Y378 HydrophobicContact CG-CG 3.89Å; F350-Y378 HydrophobicContact CZ-CD2 4.24Å; A352-Y378 HydrophobicContact CB-CD1 4.35Å; A352-Y378 HydrophobicContact CB-CE1 3.86Å; F367-Y378 WeakPolarHBondContact CB-OH 3.05Å; F367-Y378 PolarHBondContact N-OH 2.8Å; F367-Y378 VanDerWaalsContact N-OH 3.12Å; F367-Y378 WeakPolarHBondContact O-CE1 3.31Å; F367-Y378 PolarHBondContact O-OH 3.02Å; I370-Y378 HydrophobicContact CD1-CD1 3.72Å; I370-Y378 HydrophobicContact CD1-CE1 3.71Å; N373-Y378 PolarHBondContact ND2-O 2.91Å; N373-Y378 PolarHBondContact OD1-N 3.02Å; N373-Y378 VanDerWaalsContact OD1-N 3.08Å; G376-Y378 PolarHBondContact O-N 2.86Å; Y378-P380 HydrophobicContact CE1-CB 4.08Å; Y378-P380 WeakPolarHBondContact O-CD 3.45Å; Y378-F385 HydrophobicContact CD2-CB 4.27Å |
| 379 | S | 97.8 | Very high | 96.3 | Very high | 32 Ų | 32 | 49.8 Ų | 49.8 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 103.9 | -179.1 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | I381 T382 G383 K384 | S379-I381 PolarHBondContact O-N 2.9Å; S379-T382 WeakPolarHBondContact CB-OG1 3.28Å; S379-T382 PolarHBondContact O-N 3.2Å; S379-T382 VanDerWaalsContact O-N 3.12Å; S379-T382 PolarHBondContact O-OG1 3.19Å; S379-T382 PolarHBondContact OG-N 2.92Å; S379-T382 PolarHBondContact OG-OG1 2.95Å; S379-G383 PolarHBondContact O-N 3.2Å; S379-K384 PolarHBondContact N-O 3.34Å; S379-K384 PolarHBondContact O-N 3.08Å |
| 380 | P | 96.7 | Very high | 96.2 | Very high | 39 Ų | 39 | 47.3 Ų | 47.3 | 25% | 0.253 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -27.5 | 178.2 | 23.5 | -32.5 | 0 | 0 | 0 | 112.7 | D368 I370 Y378 T382 | D368-P380 HydrophobicContact CB-CB 4.4Å; I370-P380 HydrophobicContact CD1-CB 4.05Å; I370-P380 HydrophobicContact CD1-CG 4.11Å; I370-P380 HydrophobicContact CG1-CG 4.31Å; Y378-P380 HydrophobicContact CE1-CB 4.08Å; Y378-P380 WeakPolarHBondContact O-CD 3.45Å; P380-T382 VanDerWaalsContact C-N 3.26Å; P380-T382 PolarHBondContact O-N 2.97Å |
| 381 | I | 96.3 | Very high | 96.1 | Very high | 134 Ų | 134 | 44.2 Ų | 44.2 | 69% | 0.687 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -32.9 | 176.7 | -58.4 | 174.6 | 0 | 0 | 0 | 111 | K366 S379 | K366-I381 WeakPolarHBondContact CD-O 3.26Å; K366-I381 WeakPolarHBondContact CE-O 3.49Å; K366-I381 PolarHBondContact NZ-O 3.5Å; S379-I381 PolarHBondContact O-N 2.9Å |
| 382 | T | 96.9 | Very high | 96.1 | Very high | 63 Ų | 63 | 41 Ų | 41 | 39% | 0.387 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -11.8 | -177 | 60.8 | 0 | 0 | 0 | 0 | 114.5 | P364 S379 P380 K384 | P364-T382 VanDerWaalsContact CB-O 3.3Å; P364-T382 WeakPolarHBondContact CB-O 3.18Å; S379-T382 WeakPolarHBondContact CB-OG1 3.28Å; S379-T382 PolarHBondContact O-N 3.2Å; S379-T382 VanDerWaalsContact O-N 3.12Å; S379-T382 PolarHBondContact O-OG1 3.19Å; S379-T382 PolarHBondContact OG-N 2.92Å; S379-T382 PolarHBondContact OG-OG1 2.95Å; P380-T382 VanDerWaalsContact C-N 3.26Å; P380-T382 PolarHBondContact O-N 2.97Å; T382-K384 VanDerWaalsContact C-N 3.29Å; T382-K384 PolarHBondContact O-N 3.16Å |
| 383 | G | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 22.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I365 S379 W447 | I365-G383 VanDerWaalsContact O-CA 3.25Å; I365-G383 WeakPolarHBondContact O-CA 3.33Å; S379-G383 PolarHBondContact O-N 3.2Å; G383-W447 WeakPolarHBondContact O-CB 3.32Å |
| 384 | K | 98 | Very high | 96.2 | Very high | 36 Ų | 36 | 38.1 Ų | 38.1 | 16% | 0.157 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.5 | -171.4 | -69.6 | -171 | 163.3 | -167.1 | 0 | 112.2 | P364 S379 T382 W447 | P364-K384 HydrophobicContact CB-CG 4.26Å; P364-K384 HydrophobicContact CG-CG 4.19Å; S379-K384 PolarHBondContact N-O 3.34Å; S379-K384 PolarHBondContact O-N 3.08Å; T382-K384 VanDerWaalsContact C-N 3.29Å; T382-K384 PolarHBondContact O-N 3.16Å; K384-W447 HydrophobicContact CD-CD2 4.41Å; K384-W447 HydrophobicContact CD-CE3 3.98Å; K384-W447 HydrophobicContact CD-CZ3 4.34Å; K384-W447 VanDerWaalsContact CE-CE3 3.49Å; K384-W447 HydrophobicContact CG-CB 4.07Å; K384-W447 HydrophobicContact CG-CD2 4.18Å; K384-W447 HydrophobicContact CG-CE3 4.02Å; K384-W447 HydrophobicContact CG-CG 4.24Å |
| 385 | F | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 138.8 | 160.7 | 174.3 | -97.3 | 0 | 0 | 0 | 109.9 | F350 D377 Y378 C387 Y393 F395 L440 Q445 V446 | F350-F385 HydrophobicContact CD1-CB 4.35Å; F350-F385 AromaticContact CD1-CD2 3.34Å; F350-F385 HydrophobicContact CD1-CD2 3.34Å; F350-F385 AromaticContact CD1-CE2 3.94Å; F350-F385 HydrophobicContact CD1-CE2 3.94Å; F350-F385 HydrophobicContact CD1-CG 4.09Å; F350-F385 HydrophobicContact CE1-CB 3.77Å; F350-F385 AromaticContact CE1-CD2 3.45Å; F350-F385 HydrophobicContact CE1-CD2 3.45Å; F350-F385 VanDerWaalsContact CE1-CD2 3.45Å; F350-F385 HydrophobicContact CE1-CE2 4.23Å; F350-F385 AromaticContact CE1-CG 3.71Å; F350-F385 HydrophobicContact CE1-CG 3.71Å; F350-F385 HydrophobicContact CG-CD2 4.36Å; F350-F385 HydrophobicContact CZ-CB 4.13Å; D377-F385 HydrophobicContact CB-CD2 3.89Å; D377-F385 HydrophobicContact CB-CE2 3.43Å; D377-F385 VanDerWaalsContact CB-CE2 3.43Å; D377-F385 HydrophobicContact CB-CZ 4.23Å; Y378-F385 HydrophobicContact CD2-CB 4.27Å; F385-C387 HydrophobicContact CE1-CB 4.13Å; F385-Y393 HydrophobicContact CE1-CD1 4.18Å; F385-Y393 AromaticContact CE1-CE1 3.85Å; F385-Y393 HydrophobicContact CE1-CE1 3.85Å; F385-Y393 HydrophobicContact CE2-CE1 4.31Å; F385-Y393 HydrophobicContact CZ-CD1 4.01Å; F385-Y393 AromaticContact CZ-CE1 3.34Å; F385-Y393 HydrophobicContact CZ-CE1 3.34Å; F385-Y393 AromaticContact CZ-CZ 3.79Å; F385-F395 HydrophobicContact CB-CE1 4.39Å; F385-F395 AromaticContact CD1-CE1 3.82Å; F385-F395 HydrophobicContact CD1-CE1 3.82Å; F385-F395 AromaticContact CD1-CZ 3.72Å; F385-F395 HydrophobicContact CD1-CZ 3.72Å; F385-F395 HydrophobicContact CE1-CE1 4.36Å; F385-F395 AromaticContact CE1-CZ 3.94Å; F385-F395 HydrophobicContact CE1-CZ 3.94Å; F385-F395 HydrophobicContact CG-CE1 4.1Å; F385-F395 HydrophobicContact CG-CZ 4.45Å; F385-L440 HydrophobicContact CE1-CD1 4.13Å; F385-Q445 VanDerWaalsContact O-CA 3.31Å; F385-Q445 WeakPolarHBondContact O-CA 3.43Å; F385-V446 HydrophobicContact CB-CB 4.48Å; F385-V446 HydrophobicContact CD1-CB 4.31Å; F385-V446 HydrophobicContact CD1-CG2 4.4Å; F385-V446 PolarHBondContact N-O 3.46Å; F385-V446 PolarHBondContact O-N 3.48Å |
| 386 | N | 97.2 | Very high | 96.6 | Very high | 52 Ų | 52 | 29.3 Ų | 29.3 | 28% | 0.278 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 124.7 | 173.8 | -50.1 | -86.6 | 0 | 0 | 0 | 108.7 | D377 S388 Q445 | D377-N386 WeakPolarHBondContact CB-O 3.42Å; D377-N386 PolarHBondContact O-N 2.82Å; D377-N386 PolarHBondContact O-ND2 3.23Å; N386-S388 PolarHBondContact O-N 3.49Å; N386-Q445 PolarHBondContact OD1-NE2 3.42Å |
| 387 | C | 95.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.027 | 16% | 0.161 | C | C | . | . | trans | -70.9 | 110.8 | 177.3 | 178.1 | 0 | 0 | 0 | 0 | 110.6 | F385 A389 Y393 L440 S441 A442 G443 D444 | F385-C387 HydrophobicContact CE1-CB 4.13Å; C387-A389 PolarHBondContact SG-O 3.23Å; C387-Y393 VanDerWaalsContact SG-CE2 3.55Å; C387-L440 HydrophobicContact CB-CB 4.1Å; C387-L440 HydrophobicContact CB-CD1 4.12Å; C387-S441 WeakPolarHBondContact CB-O 3.24Å; C387-S441 PolarHBondContact SG-O 3.44Å; C387-S441 VanDerWaalsContact SG-O 3.33Å; C387-A442 CarbonylContact O-C 3.48Å; C387-A442 WeakPolarHBondContact O-CA 3.45Å; C387-G443 PolarHBondContact O-N 3.29Å; C387-D444 HydrophobicContact CB-CB 4.13Å; C387-D444 WeakPolarHBondContact CB-O 3.47Å; C387-D444 PolarHBondContact N-O 3.15Å | ||
| 388 | S | 92.5 | Very high | 96.7 | Very high | 64 Ų | 64 | 30.8 Ų | 30.8 | 45% | 0.448 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -86.2 | -36.4 | 176.1 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | D377 N386 | D377-S388 WeakPolarHBondContact OD1-CB 3.34Å; D377-S388 PolarHBondContact OD1-OG 3.47Å; D377-S388 PolarHBondContact OD2-OG 2.95Å; N386-S388 PolarHBondContact O-N 3.49Å |
| 389 | A | 92.8 | Very high | 96.6 | Very high | 15 Ų | 15 | 30.7 Ų | 30.7 | 12% | 0.124 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -117.9 | 128.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P346 C387 Y393 L471 | P346-A389 HydrophobicContact CB-CB 3.91Å; C387-A389 PolarHBondContact SG-O 3.23Å; A389-Y393 WeakPolarHBondContact O-CE2 3.46Å; A389-Y393 PolarHBondContact O-OH 3.22Å; A389-Y393 VanDerWaalsContact O-OH 3.14Å; A389-L471 HydrophobicContact CB-CD2 4.03Å |
| 390 | P | 94.9 | Very high | 96.5 | Very high | 38 Ų | 38 | 29.2 Ų | 29.2 | 25% | 0.247 | 17% | 0.168 | C | C | . | . | trans | -64.4 | 144.4 | 176.7 | 30.1 | -34.7 | 0 | 0 | 0 | 110.4 | L440 E475 | P390-L440 WeakPolarHBondContact CA-O 3.49Å; P390-E475 HydrophobicContact CB-CB 4.31Å; P390-E475 HydrophobicContact CG-CB 4.45Å; P390-E475 WeakPolarHBondContact O-CB 2.89Å; P390-E475 PolarHBondContact O-N 3.09Å | ||
| 391 | G | 95.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.1 | -171.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | K439 L440 Y473 | G391-K439 WeakPolarHBondContact O-CA 3.36Å; G391-L440 PolarHBondContact N-O 2.85Å; G391-L440 PolarHBondContact O-N 3.36Å; G391-Y473 CarbonylContact C-O 3.57Å; G391-Y473 VanDerWaalsContact CA-O 3.24Å; G391-Y473 WeakPolarHBondContact CA-O 3.37Å |
| 392 | T | 96.9 | Very high | 96.1 | Very high | 38 Ų | 38 | 25.6 Ų | 25.6 | 23% | 0.233 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 116.1 | 177 | -59.9 | 0 | 0 | 0 | 0 | 109.7 | I437 L472 Y473 | T392-I437 HydrophobicContact CG2-CG2 3.43Å; T392-I437 VanDerWaalsContact CG2-CG2 3.43Å; T392-L472 WeakPolarHBondContact O-CB 2.94Å; T392-L472 PolarHBondContact O-N 3.27Å; T392-Y473 HydrophobicContact CG2-CD2 4.32Å; T392-Y473 PolarHBondContact N-O 3.3Å; T392-Y473 PolarHBondContact O-N 3.14Å; T392-Y473 VanDerWaalsContact O-N 3.13Å |
| 393 | Y | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 147.4 | 178 | -78.1 | -97.6 | 0 | 0 | 0 | 111.5 | S348 F385 C387 A389 F395 I437 L438 L440 F470 L471 | S348-Y393 WeakPolarHBondContact CB-OH 3.46Å; S348-Y393 WeakPolarHBondContact OG-CE1 3.42Å; S348-Y393 PolarHBondContact OG-OH 3.09Å; F385-Y393 HydrophobicContact CE1-CD1 4.18Å; F385-Y393 AromaticContact CE1-CE1 3.85Å; F385-Y393 HydrophobicContact CE1-CE1 3.85Å; F385-Y393 HydrophobicContact CE2-CE1 4.31Å; F385-Y393 HydrophobicContact CZ-CD1 4.01Å; F385-Y393 AromaticContact CZ-CE1 3.34Å; F385-Y393 HydrophobicContact CZ-CE1 3.34Å; F385-Y393 AromaticContact CZ-CZ 3.79Å; C387-Y393 VanDerWaalsContact SG-CE2 3.55Å; A389-Y393 WeakPolarHBondContact O-CE2 3.46Å; A389-Y393 PolarHBondContact O-OH 3.22Å; A389-Y393 VanDerWaalsContact O-OH 3.14Å; Y393-F395 VanDerWaalsContact CB-CE2 3.49Å; Y393-F395 HydrophobicContact CD1-CZ 4.36Å; Y393-F395 HydrophobicContact CG-CE2 4.25Å; Y393-F395 HydrophobicContact CG-CZ 4.38Å; Y393-I437 CarbonylContact O-C 3.52Å; Y393-I437 WeakPolarHBondContact O-CA 3.33Å; Y393-L438 PolarHBondContact N-O 3.37Å; Y393-L438 PolarHBondContact O-N 3.23Å; Y393-L440 HydrophobicContact CD2-CB 3.89Å; Y393-L440 HydrophobicContact CD2-CD1 3.74Å; Y393-L440 HydrophobicContact CD2-CG 3.96Å; Y393-L440 HydrophobicContact CE2-CB 4.15Å; Y393-L440 HydrophobicContact CE2-CD1 4.21Å; Y393-L440 HydrophobicContact CG-CD1 3.99Å; Y393-F470 WeakPolarHBondContact CA-O 3.38Å; Y393-F470 VanDerWaalsContact CD1-C 3.47Å; Y393-L471 HydrophobicContact CD1-CB 4.08Å; Y393-L471 HydrophobicContact CD2-CD1 3.95Å; Y393-L471 HydrophobicContact CE1-CB 3.66Å; Y393-L471 HydrophobicContact CE1-CD1 4.35Å; Y393-L471 HydrophobicContact CE2-CD1 3.7Å; Y393-L471 HydrophobicContact CG-CD1 4.41Å |
| 394 | V | 98.1 | Very high | 95.3 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 132.8 | 164.2 | -179.1 | 0 | 0 | 0 | 0 | 107.8 | L435 I437 G469 F470 L472 | V394-L435 HydrophobicContact CG1-CD1 4.08Å; V394-L435 HydrophobicContact CG1-CD2 4Å; V394-L435 HydrophobicContact CG1-CG 3.86Å; V394-I437 HydrophobicContact CG2-CG1 4.29Å; V394-G469 CarbonylContact O-C 3.56Å; V394-G469 WeakPolarHBondContact O-CA 3.28Å; V394-F470 HydrophobicContact CB-CD1 4.27Å; V394-F470 HydrophobicContact CB-CE1 3.77Å; V394-F470 HydrophobicContact CB-CE2 4.08Å; V394-F470 HydrophobicContact CB-CZ 3.66Å; V394-F470 HydrophobicContact CG1-CE1 3.89Å; V394-F470 HydrophobicContact CG1-CZ 3.98Å; V394-F470 HydrophobicContact CG2-CE1 4.5Å; V394-F470 HydrophobicContact CG2-CE2 4.06Å; V394-F470 HydrophobicContact CG2-CZ 3.89Å; V394-F470 PolarHBondContact N-O 3.38Å; V394-F470 PolarHBondContact O-N 2.79Å; V394-L472 HydrophobicContact CG2-CB 4.02Å; V394-L472 HydrophobicContact CG2-CD2 3.89Å; V394-L472 HydrophobicContact CG2-CG 4.46Å |
| 395 | F | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 140.8 | 169 | -66.5 | -89.4 | 0 | 0 | 0 | 109.3 | F350 F385 Y393 L410 L435 L436 L438 L440 V446 F467 S468 | F350-F395 HydrophobicContact CE1-CD1 4.22Å; F350-F395 AromaticContact CE1-CE1 3.92Å; F350-F395 HydrophobicContact CE1-CE1 3.92Å; F350-F395 HydrophobicContact CZ-CD1 4.29Å; F350-F395 HydrophobicContact CZ-CE1 4.31Å; F385-F395 HydrophobicContact CB-CE1 4.39Å; F385-F395 AromaticContact CD1-CE1 3.82Å; F385-F395 HydrophobicContact CD1-CE1 3.82Å; F385-F395 AromaticContact CD1-CZ 3.72Å; F385-F395 HydrophobicContact CD1-CZ 3.72Å; F385-F395 HydrophobicContact CE1-CE1 4.36Å; F385-F395 AromaticContact CE1-CZ 3.94Å; F385-F395 HydrophobicContact CE1-CZ 3.94Å; F385-F395 HydrophobicContact CG-CE1 4.1Å; F385-F395 HydrophobicContact CG-CZ 4.45Å; Y393-F395 VanDerWaalsContact CB-CE2 3.49Å; Y393-F395 HydrophobicContact CD1-CZ 4.36Å; Y393-F395 HydrophobicContact CG-CE2 4.25Å; Y393-F395 HydrophobicContact CG-CZ 4.38Å; F395-L410 HydrophobicContact CB-CD1 4.03Å; F395-L435 CarbonylContact O-C 3.57Å; F395-L435 WeakPolarHBondContact O-CA 3.46Å; F395-L436 PolarHBondContact N-O 3.44Å; F395-L436 PolarHBondContact O-N 3.41Å; F395-L438 HydrophobicContact CD2-CB 4.47Å; F395-L438 HydrophobicContact CD2-CD1 4.05Å; F395-L438 HydrophobicContact CD2-CG 4.47Å; F395-L438 HydrophobicContact CE2-CB 4.39Å; F395-L438 HydrophobicContact CE2-CD1 4.21Å; F395-L440 HydrophobicContact CE2-CD1 3.81Å; F395-L440 HydrophobicContact CZ-CD1 3.77Å; F395-V446 HydrophobicContact CD1-CG1 3.99Å; F395-V446 HydrophobicContact CD2-CG1 4.43Å; F395-V446 HydrophobicContact CE1-CB 3.86Å; F395-V446 HydrophobicContact CE1-CG1 3.76Å; F395-V446 HydrophobicContact CE1-CG2 4.23Å; F395-V446 HydrophobicContact CE2-CB 4.46Å; F395-V446 HydrophobicContact CE2-CG1 4.23Å; F395-V446 HydrophobicContact CE2-CG2 4.04Å; F395-V446 HydrophobicContact CG-CG1 4.32Å; F395-V446 HydrophobicContact CZ-CB 3.81Å; F395-V446 HydrophobicContact CZ-CG1 3.91Å; F395-V446 HydrophobicContact CZ-CG2 3.64Å; F395-F467 HydrophobicContact CB-CE2 4.39Å; F395-F467 HydrophobicContact CD1-CE2 4.12Å; F395-F467 AromaticContact CD1-CZ 3.99Å; F395-F467 HydrophobicContact CD1-CZ 3.99Å; F395-S468 WeakPolarHBondContact CA-O 3.35Å |
| 396 | S | 97.8 | Very high | 94.8 | Very high | 21 Ų | 21 | 30.7 Ų | 30.7 | 15% | 0.147 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 154.1 | 172.4 | 61 | 0 | 0 | 0 | 0 | 112 | L434 F467 S468 | S396-L434 CarbonylContact C-O 3.48Å; S396-L434 WeakPolarHBondContact CA-O 3.23Å; S396-L434 VanDerWaalsContact CB-O 3.23Å; S396-L434 WeakPolarHBondContact CB-O 3.46Å; S396-F467 WeakPolarHBondContact O-CD2 3.31Å; S396-S468 PolarHBondContact N-O 3.23Å; S396-S468 PolarHBondContact O-N 2.79Å; S396-S468 VanDerWaalsContact O-O 3.12Å |
| 397 | Y | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 151.3 | 166.7 | 68.5 | -110.2 | 0 | 0 | 0 | 110.3 | V399 I408 S420 A432 S433 L434 L448 I466 | Y397-V399 HydrophobicContact CD2-CB 4.5Å; Y397-V399 HydrophobicContact CD2-CG1 4.09Å; Y397-V399 HydrophobicContact CD2-CG2 3.74Å; Y397-V399 HydrophobicContact CE2-CG2 3.89Å; Y397-I408 HydrophobicContact CE1-CG2 4.08Å; Y397-I408 HydrophobicContact CE2-CD1 4.24Å; Y397-S420 WeakPolarHBondContact OH-CB 3.5Å; Y397-A432 HydrophobicContact CE2-CB 4.38Å; Y397-S433 WeakPolarHBondContact O-CA 3.45Å; Y397-L434 HydrophobicContact CD1-CB 3.86Å; Y397-L434 HydrophobicContact CD1-CD2 4.23Å; Y397-L434 HydrophobicContact CD2-CB 4.44Å; Y397-L434 HydrophobicContact CE1-CB 3.47Å; Y397-L434 VanDerWaalsContact CE1-CB 3.47Å; Y397-L434 HydrophobicContact CE1-CD2 3.57Å; Y397-L434 HydrophobicContact CE1-CG 4.16Å; Y397-L434 HydrophobicContact CE2-CB 4.07Å; Y397-L434 HydrophobicContact CG-CB 4.33Å; Y397-L434 PolarHBondContact N-O 2.9Å; Y397-L434 PolarHBondContact O-N 3.22Å; Y397-L448 HydrophobicContact CD1-CD1 3.66Å; Y397-L448 HydrophobicContact CD1-CD2 3.79Å; Y397-L448 HydrophobicContact CD1-CG 4.4Å; Y397-L448 HydrophobicContact CE1-CD1 4.44Å; Y397-L448 HydrophobicContact CE1-CD2 4.12Å; Y397-L448 HydrophobicContact CG-CD1 3.94Å; Y397-I466 VanDerWaalsContact CA-O 3.27Å; Y397-I466 WeakPolarHBondContact CA-O 3.37Å; Y397-I466 VanDerWaalsContact CB-O 3.31Å; Y397-I466 WeakPolarHBondContact CB-O 3.49Å |
| 398 | H | 96.4 | Very high | 94.7 | Very high | 96 Ų | 96 | 33.8 Ų | 33.8 | 44% | 0.444 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 118.3 | 167.4 | -56.4 | -82.2 | 0 | 0 | 0 | 106.2 | S433 I466 | H398-S433 WeakPolarHBondContact ND1-CB 3.44Å; H398-S433 PolarHBondContact ND1-OG 3.49Å; H398-I466 HydrophobicContact CB-CG2 3.87Å; H398-I466 PolarHBondContact N-O 3.18Å; H398-I466 VanDerWaalsContact N-O 3.12Å; H398-I466 WeakPolarHBondContact O-CG2 3.12Å; H398-I466 PolarHBondContact O-N 3.42Å |
| 399 | V | 96 | Very high | 94.9 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 131.3 | -168.9 | -63.5 | 0 | 0 | 0 | 0 | 112.5 | Y397 I408 Q431 A432 L457 S465 | Y397-V399 HydrophobicContact CD2-CB 4.5Å; Y397-V399 HydrophobicContact CD2-CG1 4.09Å; Y397-V399 HydrophobicContact CD2-CG2 3.74Å; Y397-V399 HydrophobicContact CE2-CG2 3.89Å; V399-I408 HydrophobicContact CG2-CD1 3.45Å; V399-I408 VanDerWaalsContact CG2-CD1 3.45Å; V399-Q431 PolarHBondContact O-OE1 3.17Å; V399-A432 HydrophobicContact CG2-CB 3.96Å; V399-A432 WeakPolarHBondContact CG2-O 3.28Å; V399-A432 PolarHBondContact N-O 3.16Å; V399-A432 PolarHBondContact O-N 3.42Å; V399-L457 HydrophobicContact CB-CD1 3.65Å; V399-L457 HydrophobicContact CB-CG 4.48Å; V399-L457 HydrophobicContact CG1-CD1 4.16Å; V399-L457 HydrophobicContact CG2-CD1 3.53Å; V399-S465 WeakPolarHBondContact CA-OG 3.46Å; V399-S465 WeakPolarHBondContact CB-OG 3.16Å |
| 400 | T | 95.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 131 | 175.8 | -56.9 | 0 | 0 | 0 | 0 | 109.7 | V429 Q431 Y458 D463 D464 S465 | T400-V429 HydrophobicContact CG2-CG1 3.46Å; T400-V429 VanDerWaalsContact CG2-CG1 3.46Å; T400-Q431 PolarHBondContact OG1-NE2 3.43Å; T400-Y458 HydrophobicContact CG2-CD1 4.26Å; T400-Y458 PolarHBondContact O-N 3.47Å; T400-D463 HydrophobicContact CG2-CB 3.98Å; T400-D464 PolarHBondContact N-O 2.91Å; T400-D464 PolarHBondContact OG1-O 3.08Å; T400-S465 PolarHBondContact N-OG 3.34Å |
| 401 | V | 94.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.3 | 174.7 | -178 | 0 | 0 | 0 | 0 | 108.5 | A406 E422 L424 D430 A432 G456 | V401-A406 HydrophobicContact CB-CB 4.41Å; V401-A406 HydrophobicContact CG1-CB 3.65Å; V401-A406 HydrophobicContact CG2-CB 3.8Å; V401-E422 HydrophobicContact CB-CG 4.19Å; V401-E422 HydrophobicContact CG1-CB 4.3Å; V401-E422 HydrophobicContact CG1-CG 4.26Å; V401-E422 HydrophobicContact CG2-CB 4.08Å; V401-E422 HydrophobicContact CG2-CG 3.99Å; V401-L424 HydrophobicContact CB-CD2 4.3Å; V401-L424 HydrophobicContact CG1-CD1 4.11Å; V401-L424 HydrophobicContact CG1-CD2 3.93Å; V401-L424 HydrophobicContact CG1-CG 3.95Å; V401-D430 PolarHBondContact N-O 3.42Å; V401-D430 PolarHBondContact O-N 3.01Å; V401-A432 HydrophobicContact CG2-CB 4.04Å; V401-G456 WeakPolarHBondContact CA-O 3.44Å |
| 402 | R | 91.3 | Very high | 95.3 | Very high | 96 Ų | 96 | 28.7 Ų | 28.7 | 36% | 0.362 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 141.3 | -172 | -166.1 | 168.4 | -172.2 | 149.5 | 4.4 | 113 | R404 L424 V429 G456 Y458 D463 | R402-R404 PolarHBondContact O-N 3.46Å; R402-L424 VanDerWaalsContact C-CD1 3.44Å; R402-V429 HydrophobicContact CG-CG2 4Å; R402-G456 PolarHBondContact N-O 3.25Å; R402-Y458 HydrophobicContact CB-CD1 4.05Å; R402-Y458 HydrophobicContact CB-CD2 4.11Å; R402-Y458 HydrophobicContact CB-CG 3.68Å; R402-Y458 HydrophobicContact CG-CD1 4.45Å; R402-Y458 HydrophobicContact CG-CG 4.39Å; R402-D463 IonicContact CZ-OD2 3.31Å; R402-D463 IonicContact NH1-OD2 3.5Å; R402-D463 PolarHBondContact NH1-OD2 3.38Å |
| 403 | G | 86.9 | Confident | 95.1 | Very high | 62 Ų | 62 | 32.3 Ų | 32.3 | 64% | 0.639 | 16% | 0.157 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 72.5 | -27.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 404 | R | 89.3 | Confident | 94.9 | Very high | 105 Ų | 105 | 38.5 Ų | 38.5 | 40% | 0.396 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 159.7 | 170.5 | 63.2 | -171.5 | 176.3 | -172.4 | -0.6 | 110.9 | R402 L424 N455 G456 | R402-R404 PolarHBondContact O-N 3.46Å; R404-L424 VanDerWaalsContact O-CD1 3.31Å; R404-L424 WeakPolarHBondContact O-CD1 3.24Å; R404-N455 VanDerWaalsContact NE-C 3.32Å; R404-N455 PolarHBondContact NE-O 3.39Å; R404-N455 PolarHBondContact NH2-O 3.41Å; R404-G456 WeakPolarHBondContact O-CA 3.5Å |
| 405 | P | 92.1 | Very high | 94.8 | Very high | 40 Ų | 40 | 45.2 Ų | 45.2 | 26% | 0.26 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 154.3 | 176.5 | -25.2 | 36.2 | 0 | 0 | 0 | 113.9 | E422 W454 N455 G456 | P405-E422 WeakPolarHBondContact CA-O 3.36Å; P405-E422 WeakPolarHBondContact CB-O 3.08Å; P405-W454 HydrophobicContact CB-CD2 3.79Å; P405-W454 HydrophobicContact CB-CE3 3.32Å; P405-W454 HydrophobicContact CB-CH2 3.71Å; P405-W454 HydrophobicContact CB-CZ2 4.2Å; P405-W454 HydrophobicContact CB-CZ3 3.27Å; P405-W454 HydrophobicContact CG-CE3 4.47Å; P405-W454 HydrophobicContact CG-CH2 4.12Å; P405-W454 HydrophobicContact CG-CZ2 4.45Å; P405-W454 HydrophobicContact CG-CZ3 4.17Å; P405-W454 CarbonylContact O-C 3.49Å; P405-W454 WeakPolarHBondContact O-CA 3.33Å; P405-N455 PolarHBondContact O-N 3.45Å; P405-G456 PolarHBondContact O-N 3.5Å |
| 406 | A | 93.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 143.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V401 I408 R421 E422 W454 | V401-A406 HydrophobicContact CB-CB 4.41Å; V401-A406 HydrophobicContact CG1-CB 3.65Å; V401-A406 HydrophobicContact CG2-CB 3.8Å; A406-I408 HydrophobicContact CB-CG1 4.33Å; A406-R421 CarbonylContact O-C 3.58Å; A406-R421 WeakPolarHBondContact O-CA 3.47Å; A406-E422 HydrophobicContact CB-CB 4.37Å; A406-E422 PolarHBondContact N-O 2.86Å; A406-E422 VanDerWaalsContact N-O 3.07Å; A406-E422 PolarHBondContact O-N 2.99Å; A406-W454 CarbonylContact C-O 3.5Å; A406-W454 WeakPolarHBondContact CA-O 3.36Å |
| 407 | R | 95.3 | Very high | 94.3 | Very high | 118 Ų | 118 | 52.5 Ų | 52.5 | 45% | 0.445 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 104.3 | 171.6 | -167.6 | -176.5 | -163.7 | 178 | 8 | 109.3 | S420 R421 V450 S451 W454 | R407-S420 CarbonylContact C-O 3.39Å; R407-S420 WeakPolarHBondContact CA-O 3.5Å; R407-S420 WeakPolarHBondContact CG-O 3.37Å; R407-R421 HydrophobicContact CG-CB 4.48Å; R407-V450 WeakPolarHBondContact O-CA 3.37Å; R407-S451 PolarHBondContact O-N 3.42Å; R407-W454 HydrophobicContact CB-CB 3.55Å; R407-W454 HydrophobicContact CB-CE3 4.44Å; R407-W454 HydrophobicContact CB-CG 4.23Å; R407-W454 PolarHBondContact N-O 2.91Å |
| 408 | I | 95.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130 | -167.3 | -52 | 178.4 | 0 | 0 | 0 | 108.2 | Y397 V399 A406 K419 S420 A432 E449 L457 | Y397-I408 HydrophobicContact CE1-CG2 4.08Å; Y397-I408 HydrophobicContact CE2-CD1 4.24Å; V399-I408 HydrophobicContact CG2-CD1 3.45Å; V399-I408 VanDerWaalsContact CG2-CD1 3.45Å; A406-I408 HydrophobicContact CB-CG1 4.33Å; I408-K419 CarbonylContact O-C 3.52Å; I408-K419 WeakPolarHBondContact O-CA 3.35Å; I408-S420 PolarHBondContact N-O 3.03Å; I408-S420 PolarHBondContact O-N 3.21Å; I408-A432 HydrophobicContact CD1-CB 4.44Å; I408-E449 CarbonylContact C-O 3.56Å; I408-E449 WeakPolarHBondContact CA-O 3.4Å; I408-L457 HydrophobicContact CD1-CD1 3.5Å; I408-L457 VanDerWaalsContact CD1-CD1 3.5Å; I408-L457 HydrophobicContact CG1-CD1 4.29Å |
| 409 | S | 96.4 | Very high | 94 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 5% | 0.049 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127.3 | 176.5 | -51.7 | 0 | 0 | 0 | 0 | 110 | K416 F418 L448 E449 | S409-K416 PolarHBondContact OG-NZ 3.48Å; S409-F418 CarbonylContact C-O 3.58Å; S409-F418 VanDerWaalsContact CA-O 3.28Å; S409-F418 WeakPolarHBondContact CA-O 3.5Å; S409-L448 CarbonylContact O-C 3.59Å; S409-L448 WeakPolarHBondContact O-CA 3.31Å; S409-E449 PolarHBondContact N-O 3.14Å; S409-E449 PolarHBondContact O-N 3.32Å |
| 410 | L | 97.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 122.6 | 163.8 | -168.8 | 157.3 | 0 | 0 | 0 | 107.9 | F395 K416 Q417 F418 L434 L436 L438 V446 L448 | F395-L410 HydrophobicContact CB-CD1 4.03Å; L410-K416 CarbonylContact O-C 3.56Å; L410-Q417 HydrophobicContact CD2-CB 4.34Å; L410-Q417 HydrophobicContact CD2-CG 4.47Å; L410-Q417 PolarHBondContact O-N 3.17Å; L410-F418 HydrophobicContact CB-CB 4.28Å; L410-F418 PolarHBondContact N-O 3.17Å; L410-F418 PolarHBondContact O-N 3.35Å; L410-L434 HydrophobicContact CB-CD2 4.47Å; L410-L434 HydrophobicContact CD1-CD2 4.22Å; L410-L436 HydrophobicContact CD1-CD2 4.13Å; L410-L436 HydrophobicContact CD2-CD2 4.05Å; L410-L438 HydrophobicContact CD2-CD1 3.87Å; L410-V446 HydrophobicContact CD2-CG1 3.85Å; L410-V446 HydrophobicContact CG-CG1 4.4Å; L410-L448 HydrophobicContact CB-CD2 3.81Å; L410-L448 HydrophobicContact CD1-CD2 4.13Å; L410-L448 HydrophobicContact CG-CD2 3.87Å |
| 411 | V | 97.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127.4 | -174.3 | -167.8 | 0 | 0 | 0 | 0 | 108.8 | K415 K416 V446 W447 E449 | V411-K415 WeakPolarHBondContact CA-O 3.44Å; V411-K415 WeakPolarHBondContact CG1-O 3.46Å; V411-K416 HydrophobicContact CG2-CG 4.03Å; V411-V446 CarbonylContact O-C 3.56Å; V411-V446 VanDerWaalsContact O-CA 3.27Å; V411-V446 WeakPolarHBondContact O-CA 3.32Å; V411-W447 HydrophobicContact CB-CD2 4.06Å; V411-W447 HydrophobicContact CB-CG 4.39Å; V411-W447 HydrophobicContact CB-CZ2 3.98Å; V411-W447 HydrophobicContact CG1-CD2 4.4Å; V411-W447 HydrophobicContact CG1-CH2 3.9Å; V411-W447 HydrophobicContact CG1-CZ2 3.46Å; V411-W447 VanDerWaalsContact CG1-CZ2 3.46Å; V411-W447 PolarHBondContact N-O 3.36Å; V411-W447 PolarHBondContact O-N 3.42Å; V411-E449 HydrophobicContact CG2-CB 4.42Å; V411-E449 HydrophobicContact CG2-CG 3.83Å |
| 412 | A | 96.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 67.5 Ų | 67.5 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 141.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | N414 K415 Q417 L438 Q445 V446 | A412-N414 VanDerWaalsContact C-N 3.25Å; A412-N414 PolarHBondContact O-N 3.46Å; A412-K415 PolarHBondContact N-O 3.37Å; A412-K415 PolarHBondContact O-N 3.06Å; A412-Q417 HydrophobicContact CB-CG 3.63Å; A412-Q417 PolarHBondContact O-NE2 3.36Å; A412-L438 HydrophobicContact CB-CD1 4Å; A412-Q445 VanDerWaalsContact CA-O 3.31Å; A412-Q445 WeakPolarHBondContact CA-O 3.21Å; A412-V446 HydrophobicContact CB-CG1 4.43Å; A412-V446 HydrophobicContact CB-CG2 3.83Å |
| 413 | R | 93.9 | Very high | 93 | Very high | 114 Ų | 114 | 65.5 Ų | 65.5 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 36.2 | -178 | -48.8 | -169.5 | 171.4 | 117 | 2 | 113.9 | K415 K439 D444 Q445 | R413-K415 PolarHBondContact O-N 3.31Å; R413-K415 VanDerWaalsContact O-N 3.14Å; R413-K439 PolarHBondContact NH2-O 3.31Å; R413-D444 WeakPolarHBondContact CD-OD1 3.36Å; R413-D444 VanDerWaalsContact CG-OD1 3.3Å; R413-D444 WeakPolarHBondContact CG-OD1 3.15Å; R413-D444 IonicContact CZ-OD2 2.65Å; R413-D444 IonicContact NE-OD1 3.64Å; R413-D444 PolarHBondContact NE-OD1 3.16Å; R413-D444 IonicContact NE-OD2 3.04Å; R413-D444 PolarHBondContact NE-OD2 3.45Å; R413-D444 IonicContact NH2-OD2 2.94Å; R413-D444 PolarHBondContact NH2-OD2 3.38Å; R413-Q445 PolarHBondContact N-O 3.21Å; R413-Q445 VanDerWaalsContact N-O 3.1Å |
| 414 | N | 92.7 | Very high | 92.6 | Very high | 130 Ų | 130 | 63.6 Ų | 63.6 | 70% | 0.695 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 14.8 | -171.1 | -51.1 | -60.7 | 0 | 0 | 0 | 115.1 | A412 W447 | A412-N414 VanDerWaalsContact C-N 3.25Å; A412-N414 PolarHBondContact O-N 3.46Å; N414-W447 WeakPolarHBondContact OD1-CH2 3.41Å |
| 415 | K | 94.9 | Very high | 91.6 | Very high | 151 Ų | 151 | 67.2 Ų | 67.2 | 66% | 0.657 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 138 | 176.9 | -65.1 | -174.8 | -178.8 | -176.9 | 0 | 110.8 | V411 A412 R413 Q417 | V411-K415 WeakPolarHBondContact CA-O 3.44Å; V411-K415 WeakPolarHBondContact CG1-O 3.46Å; A412-K415 PolarHBondContact N-O 3.37Å; A412-K415 PolarHBondContact O-N 3.06Å; R413-K415 PolarHBondContact O-N 3.31Å; R413-K415 VanDerWaalsContact O-N 3.14Å; K415-Q417 PolarHBondContact O-N 3.04Å; K415-Q417 VanDerWaalsContact O-N 3.15Å; K415-Q417 PolarHBondContact O-NE2 3.12Å |
| 416 | K | 94.1 | Very high | 90.5 | Very high | 90 Ų | 90 | 68.5 Ų | 68.5 | 39% | 0.391 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 100.4 | 179.4 | -55.5 | -161.6 | 166 | -152.8 | 0 | 109.3 | S409 L410 V411 E449 | S409-K416 PolarHBondContact OG-NZ 3.48Å; L410-K416 CarbonylContact O-C 3.56Å; V411-K416 HydrophobicContact CG2-CG 4.03Å; K416-E449 WeakPolarHBondContact CE-OE2 3.35Å; K416-E449 IonicContact NZ-OE2 2.69Å; K416-E449 PolarHBondContact NZ-OE2 3.37Å |
| 417 | Q | 93.3 | Very high | 89.2 | Confident | 84 Ų | 84 | 77.5 Ų | 77.5 | 39% | 0.393 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -37.3 | -177 | -52.9 | -58.4 | -30.9 | 0 | 0 | 111.5 | L410 A412 K415 L436 L438 | L410-Q417 HydrophobicContact CD2-CB 4.34Å; L410-Q417 HydrophobicContact CD2-CG 4.47Å; L410-Q417 PolarHBondContact O-N 3.17Å; A412-Q417 HydrophobicContact CB-CG 3.63Å; A412-Q417 PolarHBondContact O-NE2 3.36Å; K415-Q417 PolarHBondContact O-N 3.04Å; K415-Q417 VanDerWaalsContact O-N 3.15Å; K415-Q417 PolarHBondContact O-NE2 3.12Å; Q417-L436 HydrophobicContact CB-CD2 4.27Å; Q417-L438 HydrophobicContact CG-CD1 4.48Å; Q417-L438 HydrophobicContact CG-CD2 4.39Å |
| 418 | F | 93.5 | Very high | 88.5 | Confident | 73 Ų | 73 | 77.2 Ų | 77.2 | 32% | 0.32 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 154.1 | 177.4 | -167.8 | -97.3 | 0 | 0 | 0 | 111.1 | S409 L410 L434 L436 | S409-F418 CarbonylContact C-O 3.58Å; S409-F418 VanDerWaalsContact CA-O 3.28Å; S409-F418 WeakPolarHBondContact CA-O 3.5Å; L410-F418 HydrophobicContact CB-CB 4.28Å; L410-F418 PolarHBondContact N-O 3.17Å; L410-F418 PolarHBondContact O-N 3.35Å; F418-L434 HydrophobicContact CB-CD2 4.14Å; F418-L434 HydrophobicContact CD1-CD1 3.87Å; F418-L434 HydrophobicContact CD1-CD2 3.44Å; F418-L434 VanDerWaalsContact CD1-CD2 3.44Å; F418-L434 HydrophobicContact CD1-CG 4.27Å; F418-L434 HydrophobicContact CD2-CD1 4.4Å; F418-L434 HydrophobicContact CE1-CD1 3.69Å; F418-L434 HydrophobicContact CE1-CD2 4.03Å; F418-L434 HydrophobicContact CE1-CG 4.42Å; F418-L434 HydrophobicContact CE2-CD1 4.25Å; F418-L434 HydrophobicContact CG-CD1 4.21Å; F418-L434 HydrophobicContact CG-CD2 3.88Å; F418-L434 HydrophobicContact CZ-CD1 3.9Å; F418-L436 HydrophobicContact CB-CD2 4.23Å |
| 419 | K | 93.1 | Very high | 87.8 | Confident | 125 Ų | 125 | 79.9 Ų | 79.9 | 54% | 0.543 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 99.5 | 178.4 | -63.9 | 170.3 | -170 | 159.7 | 0 | 109.8 | I408 | I408-K419 CarbonylContact O-C 3.52Å; I408-K419 WeakPolarHBondContact O-CA 3.35Å |
| 420 | S | 91.3 | Very high | 87.5 | Confident | 23 Ų | 23 | 81.3 Ų | 81.3 | 16% | 0.161 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 154.3 | 166.8 | -168.5 | 0 | 0 | 0 | 0 | 111.2 | Y397 R407 I408 | Y397-S420 WeakPolarHBondContact OH-CB 3.5Å; R407-S420 CarbonylContact C-O 3.39Å; R407-S420 WeakPolarHBondContact CA-O 3.5Å; R407-S420 WeakPolarHBondContact CG-O 3.37Å; I408-S420 PolarHBondContact N-O 3.03Å; I408-S420 PolarHBondContact O-N 3.21Å |
| 421 | R | 90.8 | Very high | 87.2 | Confident | 152 Ų | 152 | 85.9 Ų | 85.9 | 57% | 0.574 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 107.3 | 172.7 | -179.3 | -166 | -173.4 | -166.4 | 1.1 | 107.7 | A406 R407 W454 | A406-R421 CarbonylContact O-C 3.58Å; A406-R421 WeakPolarHBondContact O-CA 3.47Å; R407-R421 HydrophobicContact CG-CB 4.48Å; R421-W454 HydrophobicContact CG-CE3 3.68Å; R421-W454 HydrophobicContact CG-CH2 4.32Å; R421-W454 HydrophobicContact CG-CZ3 3.42Å; R421-W454 VanDerWaalsContact CG-CZ3 3.42Å; R421-W454 VanDerWaalsContact NH2-CZ2 3.27Å |
| 422 | E | 89.4 | Confident | 86.9 | Confident | 40 Ų | 40 | 85.8 Ų | 85.8 | 19% | 0.187 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 135.4 | 179.1 | -159.9 | 55 | -94.1 | 0 | 0 | 111.7 | V401 P405 A406 D430 A432 | V401-E422 HydrophobicContact CB-CG 4.19Å; V401-E422 HydrophobicContact CG1-CB 4.3Å; V401-E422 HydrophobicContact CG1-CG 4.26Å; V401-E422 HydrophobicContact CG2-CB 4.08Å; V401-E422 HydrophobicContact CG2-CG 3.99Å; P405-E422 WeakPolarHBondContact CA-O 3.36Å; P405-E422 WeakPolarHBondContact CB-O 3.08Å; A406-E422 HydrophobicContact CB-CB 4.37Å; A406-E422 PolarHBondContact N-O 2.86Å; A406-E422 VanDerWaalsContact N-O 3.07Å; A406-E422 PolarHBondContact O-N 2.99Å; E422-D430 HydrophobicContact CG-CB 4.49Å; E422-A432 HydrophobicContact CB-CB 4.21Å; E422-A432 HydrophobicContact CG-CB 4.12Å |
| 423 | T | 84.1 | Confident | 86.8 | Confident | 54 Ų | 54 | 88.9 Ų | 88.9 | 33% | 0.331 | 43% | 0.432 | S | S | . | . | trans | -123.1 | 102.7 | -170.2 | 48.3 | 0 | 0 | 0 | 0 | 112.6 | W454 | T423-W454 HydrophobicContact CG2-CH2 3.85Å; T423-W454 HydrophobicContact CG2-CZ3 3.73Å | ||
| 424 | L | 79.6 | Confident | 86.9 | Confident | 23 Ų | 23 | 84.5 Ų | 84.5 | 12% | 0.12 | 42% | 0.418 | C | S | . | . | trans | -76 | 140 | 173.8 | -56.8 | -176.2 | 0 | 0 | 0 | 112.2 | V401 R402 R404 D430 | V401-L424 HydrophobicContact CB-CD2 4.3Å; V401-L424 HydrophobicContact CG1-CD1 4.11Å; V401-L424 HydrophobicContact CG1-CD2 3.93Å; V401-L424 HydrophobicContact CG1-CG 3.95Å; R402-L424 VanDerWaalsContact C-CD1 3.44Å; R404-L424 VanDerWaalsContact O-CD1 3.31Å; R404-L424 WeakPolarHBondContact O-CD1 3.24Å; L424-D430 HydrophobicContact CD2-CB 3.51Å | ||
| 425 | Y | 68.4 | Low | 87.1 | Confident | 181 Ų | 181 | 83.8 Ų | 83.8 | 71% | 0.71 | 41% | 0.413 | S | S | * | . | trans | -107.1 | 113.5 | 167.3 | -72.6 | -92.9 | 0 | 0 | 0 | 109.6 | Q428 | Y425-Q428 WeakPolarHBondContact O-CG 3.46Š| ||
| 426 | G | 67.8 | Low | 87.1 | Confident | 67 Ų | 67 | 78.6 Ų | 78.6 | 69% | 0.691 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | -144.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q428 | G426-Q428 VanDerWaalsContact C-N 3.26Å; G426-Q428 PolarHBondContact O-N 3.11Å |
| 427 | Q | 67.3 | Low | 87.3 | Confident | 189 Ų | 189 | 78.9 Ų | 78.9 | 88% | 0.883 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 18 | -179.2 | -66.1 | -172.6 | -13 | 0 | 0 | 114.1 | ||
| 428 | Q | 79.5 | Confident | 87.4 | Confident | 111 Ų | 111 | 76.1 Ų | 76.1 | 52% | 0.519 | 39% | 0.385 | S | S | . | . | trans | -69.7 | 158.2 | -177 | -67.7 | -177.7 | -11 | 0 | 0 | 112.5 | Y425 G426 | Y425-Q428 WeakPolarHBondContact O-CG 3.46Å; G426-Q428 VanDerWaalsContact C-N 3.26Å; G426-Q428 PolarHBondContact O-N 3.11Å | ||
| 429 | V | 82.8 | Confident | 87.6 | Confident | 58 Ų | 58 | 77.9 Ų | 77.9 | 35% | 0.352 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 136.7 | 169.7 | -175.1 | 0 | 0 | 0 | 0 | 107.2 | T400 R402 | T400-V429 HydrophobicContact CG2-CG1 3.46Å; T400-V429 VanDerWaalsContact CG2-CG1 3.46Å; R402-V429 HydrophobicContact CG-CG2 4Å |
| 430 | D | 89.6 | Confident | 87.8 | Confident | 38 Ų | 38 | 72 Ų | 72 | 20% | 0.203 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 166.7 | 175.8 | -145 | -31.4 | 0 | 0 | 0 | 111.2 | V401 E422 L424 | V401-D430 PolarHBondContact N-O 3.42Å; V401-D430 PolarHBondContact O-N 3.01Å; E422-D430 HydrophobicContact CG-CB 4.49Å; L424-D430 HydrophobicContact CD2-CB 3.51Å |
| 431 | Q | 91 | Very high | 88 | Confident | 95 Ų | 95 | 73.9 Ų | 73.9 | 44% | 0.444 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 95.5 | -170.5 | -71.6 | -64.4 | -22.3 | 0 | 0 | 111.9 | V399 T400 | V399-Q431 PolarHBondContact O-OE1 3.17Å; T400-Q431 PolarHBondContact OG1-NE2 3.43Å |
| 432 | A | 91.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.008 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 129 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y397 V399 V401 I408 E422 | Y397-A432 HydrophobicContact CE2-CB 4.38Å; V399-A432 HydrophobicContact CG2-CB 3.96Å; V399-A432 WeakPolarHBondContact CG2-O 3.28Å; V399-A432 PolarHBondContact N-O 3.16Å; V399-A432 PolarHBondContact O-N 3.42Å; V401-A432 HydrophobicContact CG2-CB 4.04Å; I408-A432 HydrophobicContact CD1-CB 4.44Å; E422-A432 HydrophobicContact CB-CB 4.21Å; E422-A432 HydrophobicContact CG-CB 4.12Å |
| 433 | S | 94.3 | Very high | 88.3 | Confident | 67 Ų | 67 | 70.8 Ų | 70.8 | 47% | 0.469 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 149.3 | 178.9 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | Y397 H398 | Y397-S433 WeakPolarHBondContact O-CA 3.45Å; H398-S433 WeakPolarHBondContact ND1-CB 3.44Å; H398-S433 PolarHBondContact ND1-OG 3.49Å |
| 434 | L | 95.4 | Very high | 88.9 | Confident | 23 Ų | 23 | 69.5 Ų | 69.5 | 12% | 0.12 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 145.4 | 172.3 | -179.7 | 65.2 | 0 | 0 | 0 | 110.5 | S396 Y397 L410 F418 L436 | S396-L434 CarbonylContact C-O 3.48Å; S396-L434 WeakPolarHBondContact CA-O 3.23Å; S396-L434 VanDerWaalsContact CB-O 3.23Å; S396-L434 WeakPolarHBondContact CB-O 3.46Å; Y397-L434 HydrophobicContact CD1-CB 3.86Å; Y397-L434 HydrophobicContact CD1-CD2 4.23Å; Y397-L434 HydrophobicContact CD2-CB 4.44Å; Y397-L434 HydrophobicContact CE1-CB 3.47Å; Y397-L434 VanDerWaalsContact CE1-CB 3.47Å; Y397-L434 HydrophobicContact CE1-CD2 3.57Å; Y397-L434 HydrophobicContact CE1-CG 4.16Å; Y397-L434 HydrophobicContact CE2-CB 4.07Å; Y397-L434 HydrophobicContact CG-CB 4.33Å; Y397-L434 PolarHBondContact N-O 2.9Å; Y397-L434 PolarHBondContact O-N 3.22Å; L410-L434 HydrophobicContact CB-CD2 4.47Å; L410-L434 HydrophobicContact CD1-CD2 4.22Å; F418-L434 HydrophobicContact CB-CD2 4.14Å; F418-L434 HydrophobicContact CD1-CD1 3.87Å; F418-L434 HydrophobicContact CD1-CD2 3.44Å; F418-L434 VanDerWaalsContact CD1-CD2 3.44Å; F418-L434 HydrophobicContact CD1-CG 4.27Å; F418-L434 HydrophobicContact CD2-CD1 4.4Å; F418-L434 HydrophobicContact CE1-CD1 3.69Å; F418-L434 HydrophobicContact CE1-CD2 4.03Å; F418-L434 HydrophobicContact CE1-CG 4.42Å; F418-L434 HydrophobicContact CE2-CD1 4.25Å; F418-L434 HydrophobicContact CG-CD1 4.21Å; F418-L434 HydrophobicContact CG-CD2 3.88Å; F418-L434 HydrophobicContact CZ-CD1 3.9Å; L434-L436 HydrophobicContact CD2-CB 4.42Å; L434-L436 HydrophobicContact CG-CB 4.45Å |
| 435 | L | 96.6 | Very high | 89.8 | Confident | 114 Ų | 114 | 71.3 Ų | 71.3 | 60% | 0.597 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 132.4 | 157.7 | -174.3 | 152.8 | 0 | 0 | 0 | 108.2 | V394 F395 I437 | V394-L435 HydrophobicContact CG1-CD1 4.08Å; V394-L435 HydrophobicContact CG1-CD2 4Å; V394-L435 HydrophobicContact CG1-CG 3.86Å; F395-L435 CarbonylContact O-C 3.57Å; F395-L435 WeakPolarHBondContact O-CA 3.46Å; L435-I437 HydrophobicContact CD2-CG1 4.26Å |
| 436 | L | 96.1 | Very high | 91.2 | Very high | 42 Ų | 42 | 62.7 Ų | 62.7 | 22% | 0.22 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 136.9 | -178.9 | -174.9 | 66.7 | 0 | 0 | 0 | 110.4 | F395 L410 Q417 F418 L434 L438 | F395-L436 PolarHBondContact N-O 3.44Å; F395-L436 PolarHBondContact O-N 3.41Å; L410-L436 HydrophobicContact CD1-CD2 4.13Å; L410-L436 HydrophobicContact CD2-CD2 4.05Å; Q417-L436 HydrophobicContact CB-CD2 4.27Å; F418-L436 HydrophobicContact CB-CD2 4.23Å; L434-L436 HydrophobicContact CD2-CB 4.42Å; L434-L436 HydrophobicContact CG-CB 4.45Å; L436-L438 HydrophobicContact CD2-CD1 4.23Å; L436-L438 HydrophobicContact CD2-CD2 4Å; L436-L438 HydrophobicContact CD2-CG 4.11Å; L436-L438 HydrophobicContact CG-CD2 4.21Å; L436-L438 HydrophobicContact CG-CG 4.19Å |
| 437 | I | 97.5 | Very high | 92.7 | Very high | 97 Ų | 97 | 60 Ų | 60 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 129.6 | 176.5 | -51.5 | -173.8 | 0 | 0 | 0 | 108.7 | T392 Y393 V394 L435 | T392-I437 HydrophobicContact CG2-CG2 3.43Å; T392-I437 VanDerWaalsContact CG2-CG2 3.43Å; Y393-I437 CarbonylContact O-C 3.52Å; Y393-I437 WeakPolarHBondContact O-CA 3.33Å; V394-I437 HydrophobicContact CG2-CG1 4.29Å; L435-I437 HydrophobicContact CD2-CG1 4.26Å |
| 438 | L | 96.7 | Very high | 94.2 | Very high | 25 Ų | 25 | 51.1 Ų | 51.1 | 13% | 0.131 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 130.7 | -178.3 | -66.7 | 177.6 | 0 | 0 | 0 | 110.9 | Y393 F395 L410 A412 Q417 L436 L440 | Y393-L438 PolarHBondContact N-O 3.37Å; Y393-L438 PolarHBondContact O-N 3.23Å; F395-L438 HydrophobicContact CD2-CB 4.47Å; F395-L438 HydrophobicContact CD2-CD1 4.05Å; F395-L438 HydrophobicContact CD2-CG 4.47Å; F395-L438 HydrophobicContact CE2-CB 4.39Å; F395-L438 HydrophobicContact CE2-CD1 4.21Å; L410-L438 HydrophobicContact CD2-CD1 3.87Å; A412-L438 HydrophobicContact CB-CD1 4Å; Q417-L438 HydrophobicContact CG-CD1 4.48Å; Q417-L438 HydrophobicContact CG-CD2 4.39Å; L436-L438 HydrophobicContact CD2-CD1 4.23Å; L436-L438 HydrophobicContact CD2-CD2 4Å; L436-L438 HydrophobicContact CD2-CG 4.11Å; L436-L438 HydrophobicContact CG-CD2 4.21Å; L436-L438 HydrophobicContact CG-CG 4.19Å; L438-L440 HydrophobicContact CB-CD2 4.2Å; L438-L440 HydrophobicContact CB-CG 4.44Å |
| 439 | K | 96.7 | Very high | 95 | Very high | 111 Ų | 111 | 46.9 Ų | 46.9 | 48% | 0.483 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 118.9 | 165.8 | -175.4 | 172.8 | 179.3 | 175.5 | 0 | 110.1 | G391 R413 E475 | G391-K439 WeakPolarHBondContact O-CA 3.36Å; R413-K439 PolarHBondContact NH2-O 3.31Å; K439-E475 WeakPolarHBondContact CE-OE2 2.89Å; K439-E475 IonicContact NZ-OE1 3.8Å; K439-E475 PolarHBondContact NZ-OE1 3.41Å; K439-E475 IonicContact NZ-OE2 2.64Å; K439-E475 PolarHBondContact NZ-OE2 3.41Å |
| 440 | L | 96.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 151.1 | -178.5 | -58.8 | -176 | 0 | 0 | 0 | 111.7 | F385 C387 P390 G391 Y393 F395 L438 D444 V446 | F385-L440 HydrophobicContact CE1-CD1 4.13Å; C387-L440 HydrophobicContact CB-CB 4.1Å; C387-L440 HydrophobicContact CB-CD1 4.12Å; P390-L440 WeakPolarHBondContact CA-O 3.49Å; G391-L440 PolarHBondContact N-O 2.85Å; G391-L440 PolarHBondContact O-N 3.36Å; Y393-L440 HydrophobicContact CD2-CB 3.89Å; Y393-L440 HydrophobicContact CD2-CD1 3.74Å; Y393-L440 HydrophobicContact CD2-CG 3.96Å; Y393-L440 HydrophobicContact CE2-CB 4.15Å; Y393-L440 HydrophobicContact CE2-CD1 4.21Å; Y393-L440 HydrophobicContact CG-CD1 3.99Å; F395-L440 HydrophobicContact CE2-CD1 3.81Å; F395-L440 HydrophobicContact CZ-CD1 3.77Å; L438-L440 HydrophobicContact CB-CD2 4.2Å; L438-L440 HydrophobicContact CB-CG 4.44Å; L440-D444 WeakPolarHBondContact CA-OD2 3.42Å; L440-D444 HydrophobicContact CB-CB 4.25Å; L440-D444 HydrophobicContact CD2-CB 4.13Å; L440-V446 HydrophobicContact CD1-CG2 3.69Å; L440-V446 HydrophobicContact CD2-CG2 4.09Å |
| 441 | S | 95.8 | Very high | 95.9 | Very high | 62 Ų | 62 | 43.5 Ų | 43.5 | 43% | 0.434 | 25% | 0.254 | S | S | . | . | trans | -106.3 | 152.5 | 170.3 | -61.7 | 0 | 0 | 0 | 0 | 109.2 | C387 G443 D444 | C387-S441 WeakPolarHBondContact CB-O 3.24Å; C387-S441 PolarHBondContact SG-O 3.44Å; C387-S441 VanDerWaalsContact SG-O 3.33Å; S441-G443 PolarHBondContact O-N 3.2Å; S441-D444 PolarHBondContact N-OD2 2.96Å; S441-D444 VanDerWaalsContact O-CB 3.24Å; S441-D444 WeakPolarHBondContact O-CB 3.38Å; S441-D444 PolarHBondContact O-N 3.35Å | ||
| 442 | A | 93.5 | Very high | 95.9 | Very high | 64 Ų | 64 | 45.6 Ų | 45.6 | 53% | 0.529 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 131.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | C387 | C387-A442 CarbonylContact O-C 3.48Å; C387-A442 WeakPolarHBondContact O-CA 3.45Å |
| 443 | G | 93.9 | Very high | 95.8 | Very high | 63 Ų | 63 | 51.4 Ų | 51.4 | 65% | 0.649 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.9 | -10.2 | -173 | 0 | 0 | 0 | 0 | 0 | 115.6 | C387 S441 | C387-G443 PolarHBondContact O-N 3.29Å; S441-G443 PolarHBondContact O-N 3.2Å |
| 444 | D | 97.4 | Very high | 95.7 | Very high | 26 Ų | 26 | 51.4 Ų | 51.4 | 14% | 0.139 | 28% | 0.283 | C | S | . | . | trans | -63.4 | 137.2 | 172.2 | -80.1 | -33.5 | 0 | 0 | 0 | 111.2 | C387 R413 L440 S441 | C387-D444 HydrophobicContact CB-CB 4.13Å; C387-D444 WeakPolarHBondContact CB-O 3.47Å; C387-D444 PolarHBondContact N-O 3.15Å; R413-D444 WeakPolarHBondContact CD-OD1 3.36Å; R413-D444 VanDerWaalsContact CG-OD1 3.3Å; R413-D444 WeakPolarHBondContact CG-OD1 3.15Å; R413-D444 IonicContact CZ-OD2 2.65Å; R413-D444 IonicContact NE-OD1 3.64Å; R413-D444 PolarHBondContact NE-OD1 3.16Å; R413-D444 IonicContact NE-OD2 3.04Å; R413-D444 PolarHBondContact NE-OD2 3.45Å; R413-D444 IonicContact NH2-OD2 2.94Å; R413-D444 PolarHBondContact NH2-OD2 3.38Å; L440-D444 WeakPolarHBondContact CA-OD2 3.42Å; L440-D444 HydrophobicContact CB-CB 4.25Å; L440-D444 HydrophobicContact CD2-CB 4.13Å; S441-D444 PolarHBondContact N-OD2 2.96Å; S441-D444 VanDerWaalsContact O-CB 3.24Å; S441-D444 WeakPolarHBondContact O-CB 3.38Å; S441-D444 PolarHBondContact O-N 3.35Å | ||
| 445 | Q | 97.8 | Very high | 95.6 | Very high | 61 Ų | 61 | 50.7 Ų | 50.7 | 29% | 0.285 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 141.8 | 175.5 | -69.5 | -170.9 | -27.9 | 0 | 0 | 112.1 | F385 N386 A412 R413 W447 | F385-Q445 VanDerWaalsContact O-CA 3.31Å; F385-Q445 WeakPolarHBondContact O-CA 3.43Å; N386-Q445 PolarHBondContact OD1-NE2 3.42Å; A412-Q445 VanDerWaalsContact CA-O 3.31Å; A412-Q445 WeakPolarHBondContact CA-O 3.21Å; R413-Q445 PolarHBondContact N-O 3.21Å; R413-Q445 VanDerWaalsContact N-O 3.1Å; Q445-W447 HydrophobicContact CB-CE3 4.11Å; Q445-W447 HydrophobicContact CB-CZ3 3.73Å |
| 446 | V | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 138.5 | 175.9 | -172.1 | 0 | 0 | 0 | 0 | 111.2 | F385 F395 L410 V411 A412 L440 | F385-V446 HydrophobicContact CB-CB 4.48Å; F385-V446 HydrophobicContact CD1-CB 4.31Å; F385-V446 HydrophobicContact CD1-CG2 4.4Å; F385-V446 PolarHBondContact N-O 3.46Å; F385-V446 PolarHBondContact O-N 3.48Å; F395-V446 HydrophobicContact CD1-CG1 3.99Å; F395-V446 HydrophobicContact CD2-CG1 4.43Å; F395-V446 HydrophobicContact CE1-CB 3.86Å; F395-V446 HydrophobicContact CE1-CG1 3.76Å; F395-V446 HydrophobicContact CE1-CG2 4.23Å; F395-V446 HydrophobicContact CE2-CB 4.46Å; F395-V446 HydrophobicContact CE2-CG1 4.23Å; F395-V446 HydrophobicContact CE2-CG2 4.04Å; F395-V446 HydrophobicContact CG-CG1 4.32Å; F395-V446 HydrophobicContact CZ-CB 3.81Å; F395-V446 HydrophobicContact CZ-CG1 3.91Å; F395-V446 HydrophobicContact CZ-CG2 3.64Å; L410-V446 HydrophobicContact CD2-CG1 3.85Å; L410-V446 HydrophobicContact CG-CG1 4.4Å; V411-V446 CarbonylContact O-C 3.56Å; V411-V446 VanDerWaalsContact O-CA 3.27Å; V411-V446 WeakPolarHBondContact O-CA 3.32Å; A412-V446 HydrophobicContact CB-CG1 4.43Å; A412-V446 HydrophobicContact CB-CG2 3.83Å; L440-V446 HydrophobicContact CD1-CG2 3.69Å; L440-V446 HydrophobicContact CD2-CG2 4.09Å |
| 447 | W | 98.3 | Very high | 95.4 | Very high | 11 Ų | 11 | 43.3 Ų | 43.3 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 171.6 | 175.5 | 62.6 | 96.7 | 0 | 0 | 0 | 112.7 | P364 G383 K384 V411 N414 Q445 E449 | P364-W447 HydrophobicContact CB-CB 4.12Å; P364-W447 HydrophobicContact CB-CG 3.91Å; P364-W447 HydrophobicContact CG-CD2 4.38Å; P364-W447 HydrophobicContact CG-CG 4.03Å; G383-W447 WeakPolarHBondContact O-CB 3.32Å; K384-W447 HydrophobicContact CD-CD2 4.41Å; K384-W447 HydrophobicContact CD-CE3 3.98Å; K384-W447 HydrophobicContact CD-CZ3 4.34Å; K384-W447 VanDerWaalsContact CE-CE3 3.49Å; K384-W447 HydrophobicContact CG-CB 4.07Å; K384-W447 HydrophobicContact CG-CD2 4.18Å; K384-W447 HydrophobicContact CG-CE3 4.02Å; K384-W447 HydrophobicContact CG-CG 4.24Å; V411-W447 HydrophobicContact CB-CD2 4.06Å; V411-W447 HydrophobicContact CB-CG 4.39Å; V411-W447 HydrophobicContact CB-CZ2 3.98Å; V411-W447 HydrophobicContact CG1-CD2 4.4Å; V411-W447 HydrophobicContact CG1-CH2 3.9Å; V411-W447 HydrophobicContact CG1-CZ2 3.46Å; V411-W447 VanDerWaalsContact CG1-CZ2 3.46Å; V411-W447 PolarHBondContact N-O 3.36Å; V411-W447 PolarHBondContact O-N 3.42Å; N414-W447 WeakPolarHBondContact OD1-CH2 3.41Å; Q445-W447 HydrophobicContact CB-CE3 4.11Å; Q445-W447 HydrophobicContact CB-CZ3 3.73Å; W447-E449 VanDerWaalsContact NE1-CG 3.33Å; W447-E449 PolarHBondContact NE1-OE1 3.43Å |
| 448 | L | 98.1 | Very high | 95.3 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 143.5 | 167.7 | -57.8 | -176.9 | 0 | 0 | 0 | 111.1 | P364 I365 F367 Y397 S409 L410 F467 | P364-L448 WeakPolarHBondContact CA-O 3.34Å; I365-L448 HydrophobicContact CD1-CB 3.9Å; I365-L448 WeakPolarHBondContact CG1-O 3.38Å; I365-L448 PolarHBondContact N-O 3.27Å; F367-L448 HydrophobicContact CE2-CB 4.38Å; F367-L448 HydrophobicContact CE2-CD1 3.99Å; F367-L448 HydrophobicContact CE2-CG 4.5Å; F367-L448 HydrophobicContact CZ-CD1 3.9Å; Y397-L448 HydrophobicContact CD1-CD1 3.66Å; Y397-L448 HydrophobicContact CD1-CD2 3.79Å; Y397-L448 HydrophobicContact CD1-CG 4.4Å; Y397-L448 HydrophobicContact CE1-CD1 4.44Å; Y397-L448 HydrophobicContact CE1-CD2 4.12Å; Y397-L448 HydrophobicContact CG-CD1 3.94Å; S409-L448 CarbonylContact O-C 3.59Å; S409-L448 WeakPolarHBondContact O-CA 3.31Å; L410-L448 HydrophobicContact CB-CD2 3.81Å; L410-L448 HydrophobicContact CD1-CD2 4.13Å; L410-L448 HydrophobicContact CG-CD2 3.87Å; L448-F467 HydrophobicContact CD1-CB 3.96Å; L448-F467 HydrophobicContact CD1-CD1 4.3Å; L448-F467 HydrophobicContact CD1-CD2 3.63Å; L448-F467 HydrophobicContact CD1-CE2 4.17Å; L448-F467 HydrophobicContact CD1-CG 3.71Å; L448-F467 HydrophobicContact CD2-CD2 4.27Å; L448-F467 HydrophobicContact CD2-CE2 3.98Å; L448-F467 HydrophobicContact CD2-CZ 4.31Å; L448-F467 HydrophobicContact CG-CD1 4.14Å; L448-F467 HydrophobicContact CG-CD2 3.83Å; L448-F467 HydrophobicContact CG-CE1 4.17Å; L448-F467 HydrophobicContact CG-CE2 3.87Å; L448-F467 HydrophobicContact CG-CG 3.98Å; L448-F467 HydrophobicContact CG-CZ 4.05Å |
| 449 | E | 96.9 | Very high | 95.3 | Very high | 23 Ų | 23 | 40.5 Ų | 40.5 | 11% | 0.107 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 152.9 | 169.8 | -63.3 | 179.1 | -176.8 | 0 | 0 | 110.5 | I408 S409 V411 K416 W447 | I408-E449 CarbonylContact C-O 3.56Å; I408-E449 WeakPolarHBondContact CA-O 3.4Å; S409-E449 PolarHBondContact N-O 3.14Å; S409-E449 PolarHBondContact O-N 3.32Å; V411-E449 HydrophobicContact CG2-CB 4.42Å; V411-E449 HydrophobicContact CG2-CG 3.83Å; K416-E449 WeakPolarHBondContact CE-OE2 3.35Å; K416-E449 IonicContact NZ-OE2 2.69Å; K416-E449 PolarHBondContact NZ-OE2 3.37Å; W447-E449 VanDerWaalsContact NE1-CG 3.33Å; W447-E449 PolarHBondContact NE1-OE1 3.43Å |
| 450 | V | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 139 | 170.9 | 69.6 | 0 | 0 | 0 | 0 | 110.9 | P359 P361 N362 I365 R407 W454 N455 | P359-V450 HydrophobicContact CG-CG1 4.22Å; P361-V450 CarbonylContact C-O 3.6Å; P361-V450 WeakPolarHBondContact CA-O 3.19Å; P361-V450 HydrophobicContact CB-CG1 4.35Å; P361-V450 WeakPolarHBondContact CB-O 3.36Å; N362-V450 PolarHBondContact N-O 3.41Å; I365-V450 HydrophobicContact CD1-CB 4.07Å; I365-V450 HydrophobicContact CD1-CG1 4.42Å; I365-V450 HydrophobicContact CG1-CG1 4.44Å; R407-V450 WeakPolarHBondContact O-CA 3.37Å; V450-W454 WeakPolarHBondContact CG2-O 3.31Å; V450-N455 HydrophobicContact CG1-CB 4.38Å; V450-N455 WeakPolarHBondContact CG1-OD1 3.41Å; V450-N455 HydrophobicContact CG2-CB 3.99Å |
| 451 | S | 94.5 | Very high | 94.7 | Very high | 24 Ų | 24 | 42.2 Ų | 42.2 | 17% | 0.168 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 138.2 | -178.7 | -159 | 0 | 0 | 0 | 0 | 111.5 | R407 D453 W454 | R407-S451 PolarHBondContact O-N 3.42Å; S451-D453 VanDerWaalsContact C-N 3.26Å; S451-D453 PolarHBondContact O-N 3.48Å; S451-D453 VanDerWaalsContact O-N 3.15Å; S451-W454 CarbonylContact O-C 3.25Å; S451-W454 VanDerWaalsContact O-C 3.25Å; S451-W454 PolarHBondContact O-N 3.07Å; S451-W454 VanDerWaalsContact O-N 3.09Å |
| 452 | K | 91.9 | Very high | 94.4 | Very high | 139 Ų | 139 | 47.9 Ų | 47.9 | 60% | 0.604 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -45.2 | -48.5 | 178.9 | -175 | -174.7 | 176.6 | -171.5 | 0 | 113.9 | P361 N362 | P361-K452 HydrophobicContact CB-CB 4.1Å; P361-K452 HydrophobicContact CG-CB 4.22Å; P361-K452 HydrophobicContact CG-CG 4.22Å; N362-K452 PolarHBondContact OD1-N 2.97Å |
| 453 | D | 89.4 | Confident | 94.4 | Very high | 123 Ų | 123 | 46.2 Ų | 46.2 | 66% | 0.658 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -13.7 | -169.8 | -31.5 | -75 | 0 | 0 | 0 | 112.1 | S451 | S451-D453 VanDerWaalsContact C-N 3.26Å; S451-D453 PolarHBondContact O-N 3.48Å; S451-D453 VanDerWaalsContact O-N 3.15Å |
| 454 | W | 91.5 | Very high | 94.5 | Very high | 67 Ų | 67 | 47 Ų | 47 | 25% | 0.254 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 72.4 | -173.6 | -79.2 | 54.6 | 0 | 0 | 0 | 108.8 | P405 A406 R407 R421 T423 V450 S451 | P405-W454 HydrophobicContact CB-CD2 3.79Å; P405-W454 HydrophobicContact CB-CE3 3.32Å; P405-W454 HydrophobicContact CB-CH2 3.71Å; P405-W454 HydrophobicContact CB-CZ2 4.2Å; P405-W454 HydrophobicContact CB-CZ3 3.27Å; P405-W454 HydrophobicContact CG-CE3 4.47Å; P405-W454 HydrophobicContact CG-CH2 4.12Å; P405-W454 HydrophobicContact CG-CZ2 4.45Å; P405-W454 HydrophobicContact CG-CZ3 4.17Å; P405-W454 CarbonylContact O-C 3.49Å; P405-W454 WeakPolarHBondContact O-CA 3.33Å; A406-W454 CarbonylContact C-O 3.5Å; A406-W454 WeakPolarHBondContact CA-O 3.36Å; R407-W454 HydrophobicContact CB-CB 3.55Å; R407-W454 HydrophobicContact CB-CE3 4.44Å; R407-W454 HydrophobicContact CB-CG 4.23Å; R407-W454 PolarHBondContact N-O 2.91Å; R421-W454 HydrophobicContact CG-CE3 3.68Å; R421-W454 HydrophobicContact CG-CH2 4.32Å; R421-W454 HydrophobicContact CG-CZ3 3.42Å; R421-W454 VanDerWaalsContact CG-CZ3 3.42Å; R421-W454 VanDerWaalsContact NH2-CZ2 3.27Å; T423-W454 HydrophobicContact CG2-CH2 3.85Å; T423-W454 HydrophobicContact CG2-CZ3 3.73Å; V450-W454 WeakPolarHBondContact CG2-O 3.31Å; S451-W454 CarbonylContact O-C 3.25Å; S451-W454 VanDerWaalsContact O-C 3.25Å; S451-W454 PolarHBondContact O-N 3.07Å; S451-W454 VanDerWaalsContact O-N 3.09Å |
| 455 | N | 93.9 | Very high | 94.5 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.043 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 52.8 | -172.9 | -172.4 | 3 | 0 | 0 | 0 | 113.2 | F358 P359 R404 P405 V450 L457 | F358-N455 WeakPolarHBondContact CD1-O 3.27Å; P359-N455 PolarHBondContact O-ND2 3.37Å; R404-N455 VanDerWaalsContact NE-C 3.32Å; R404-N455 PolarHBondContact NE-O 3.39Å; R404-N455 PolarHBondContact NH2-O 3.41Å; P405-N455 PolarHBondContact O-N 3.45Å; V450-N455 HydrophobicContact CG1-CB 4.38Å; V450-N455 WeakPolarHBondContact CG1-OD1 3.41Å; V450-N455 HydrophobicContact CG2-CB 3.99Å; N455-L457 PolarHBondContact O-N 3.23Å |
| 456 | G | 93.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 1.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 117 | V401 R402 R404 P405 Y458 | V401-G456 WeakPolarHBondContact CA-O 3.44Å; R402-G456 PolarHBondContact N-O 3.25Å; R404-G456 WeakPolarHBondContact O-CA 3.5Å; P405-G456 PolarHBondContact O-N 3.5Å; G456-Y458 PolarHBondContact O-N 3.46Å |
| 457 | L | 95.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 128.6 | -171.5 | -149.6 | 78.8 | 0 | 0 | 0 | 111.3 | L354 F358 P359 I365 V399 I408 N455 | L354-L457 HydrophobicContact CD2-CD2 3.95Å; L354-L457 HydrophobicContact CD2-CG 4.4Å; F358-L457 VanDerWaalsContact CD1-O 3.31Å; F358-L457 WeakPolarHBondContact CD1-O 3.47Å; F358-L457 PolarHBondContact N-O 3.48Å; P359-L457 HydrophobicContact CG-CB 4.37Å; P359-L457 HydrophobicContact CG-CD2 3.83Å; I365-L457 HydrophobicContact CD1-CD2 3.93Å; I365-L457 HydrophobicContact CG2-CD2 4.26Å; V399-L457 HydrophobicContact CB-CD1 3.65Å; V399-L457 HydrophobicContact CB-CG 4.48Å; V399-L457 HydrophobicContact CG1-CD1 4.16Å; V399-L457 HydrophobicContact CG2-CD1 3.53Å; I408-L457 HydrophobicContact CD1-CD1 3.5Å; I408-L457 VanDerWaalsContact CD1-CD1 3.5Å; I408-L457 HydrophobicContact CG1-CD1 4.29Å; N455-L457 PolarHBondContact O-N 3.23Å |
| 458 | Y | 95.1 | Very high | 94.5 | Very high | 55 Ų | 55 | 45 Ų | 45 | 22% | 0.216 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 155.7 | -168.6 | -165.8 | -102.6 | 0 | 0 | 0 | 113 | P357 F358 T400 R402 G456 D463 S465 | P357-Y458 HydrophobicContact CB-CD2 3.54Å; P357-Y458 HydrophobicContact CB-CE2 3.9Å; P357-Y458 HydrophobicContact CB-CG 4.26Å; P357-Y458 HydrophobicContact CG-CD2 4.39Å; P357-Y458 HydrophobicContact CG-CE2 4.26Å; F358-Y458 HydrophobicContact CE1-CD2 4.14Å; F358-Y458 HydrophobicContact CE2-CD2 4.42Å; F358-Y458 AromaticContact CZ-CD2 3.84Å; F358-Y458 HydrophobicContact CZ-CD2 3.84Å; F358-Y458 HydrophobicContact CZ-CE2 4.26Å; T400-Y458 HydrophobicContact CG2-CD1 4.26Å; T400-Y458 PolarHBondContact O-N 3.47Å; R402-Y458 HydrophobicContact CB-CD1 4.05Å; R402-Y458 HydrophobicContact CB-CD2 4.11Å; R402-Y458 HydrophobicContact CB-CG 3.68Å; R402-Y458 HydrophobicContact CG-CD1 4.45Å; R402-Y458 HydrophobicContact CG-CG 4.39Å; G456-Y458 PolarHBondContact O-N 3.46Å; Y458-D463 HydrophobicContact CD1-CB 3.94Å; Y458-D463 WeakPolarHBondContact CD1-OD2 3.45Å; Y458-D463 HydrophobicContact CE1-CB 4.14Å; Y458-D463 VanDerWaalsContact CE1-OD2 3.28Å; Y458-D463 WeakPolarHBondContact CE1-OD2 3.38Å; Y458-S465 WeakPolarHBondContact O-CB 3.41Å; Y458-S465 PolarHBondContact O-OG 3.48Å |
| 459 | V | 95.8 | Very high | 94.5 | Very high | 8 Ų | 8 | 45 Ų | 45 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | trans | -152.9 | 143.9 | 166.6 | 51.9 | 0 | 0 | 0 | 0 | 107.8 | L354 P357 D463 | L354-V459 HydrophobicContact CB-CG1 4.26Å; L354-V459 HydrophobicContact CD2-CG1 3.95Å; L354-V459 HydrophobicContact CG-CG1 3.92Å; L354-V459 WeakPolarHBondContact O-CG2 3.42Å; P357-V459 HydrophobicContact CB-CG1 4.48Å; V459-D463 CarbonylContact C-O 3.58Å; V459-D463 VanDerWaalsContact CA-O 3.24Å; V459-D463 WeakPolarHBondContact CA-O 3.26Å; V459-D463 WeakPolarHBondContact CG2-O 3.46Å | ||
| 460 | G | 92.3 | Very high | 94.5 | Very high | 23 Ų | 23 | 48.2 Ų | 48.2 | 24% | 0.237 | 25% | 0.248 | C | C | . | . | trans | -148.9 | -158.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D463 | G460-D463 PolarHBondContact N-O 3.25Š| ||
| 461 | P | 89.6 | Confident | 94.6 | Very high | 127 Ų | 127 | 49.2 Ų | 49.2 | 83% | 0.825 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -70.3 | -36.3 | 176.3 | -20 | 33.7 | 0 | 0 | 0 | 113.6 | ||
| 462 | E | 90 | Very high | 94.6 | Very high | 181 Ų | 181 | 51.2 Ų | 51.2 | 85% | 0.846 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -111.6 | -8.8 | -176.3 | -49 | -63.2 | 139.2 | 0 | 0 | 113 | ||
| 463 | D | 92.4 | Very high | 94.7 | Very high | 28 Ų | 28 | 51.7 Ų | 51.7 | 15% | 0.15 | 26% | 0.261 | C | S | . | . | trans | -114.3 | 114 | -173.5 | -75 | -33.2 | 0 | 0 | 0 | 108.7 | T400 R402 Y458 V459 G460 | T400-D463 HydrophobicContact CG2-CB 3.98Å; R402-D463 IonicContact CZ-OD2 3.31Å; R402-D463 IonicContact NH1-OD2 3.5Å; R402-D463 PolarHBondContact NH1-OD2 3.38Å; Y458-D463 HydrophobicContact CD1-CB 3.94Å; Y458-D463 WeakPolarHBondContact CD1-OD2 3.45Å; Y458-D463 HydrophobicContact CE1-CB 4.14Å; Y458-D463 VanDerWaalsContact CE1-OD2 3.28Å; Y458-D463 WeakPolarHBondContact CE1-OD2 3.38Å; V459-D463 CarbonylContact C-O 3.58Å; V459-D463 VanDerWaalsContact CA-O 3.24Å; V459-D463 WeakPolarHBondContact CA-O 3.26Å; V459-D463 WeakPolarHBondContact CG2-O 3.46Å; G460-D463 PolarHBondContact N-O 3.25Å | ||
| 464 | D | 95.6 | Very high | 94.8 | Very high | 79 Ų | 79 | 48.2 Ų | 48.2 | 42% | 0.422 | 25% | 0.245 | S | C | . | . | trans | -106.1 | 165.1 | 176.7 | -105.7 | -35.2 | 0 | 0 | 0 | 112.9 | L353 K369 T400 | L353-D464 HydrophobicContact CD2-CB 3.98Å; K369-D464 IonicContact NZ-OD1 2.67Å; T400-D464 PolarHBondContact N-O 2.91Å; T400-D464 PolarHBondContact OG1-O 3.08Å | ||
| 465 | S | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 115.9 | 172.8 | -84.9 | 0 | 0 | 0 | 0 | 109.8 | L353 L354 V399 T400 Y458 | L353-S465 WeakPolarHBondContact CA-O 3.46Å; L354-S465 PolarHBondContact N-O 2.77Å; V399-S465 WeakPolarHBondContact CA-OG 3.46Å; V399-S465 WeakPolarHBondContact CB-OG 3.16Å; T400-S465 PolarHBondContact N-OG 3.34Å; Y458-S465 WeakPolarHBondContact O-CB 3.41Å; Y458-S465 PolarHBondContact O-OG 3.48Å |
| 466 | I | 98.2 | Very high | 94 | Very high | 38 Ų | 38 | 57.2 Ų | 57.2 | 20% | 0.195 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 141.5 | -170.9 | -164 | 172.4 | 0 | 0 | 0 | 112.1 | A352 L353 L371 Y397 H398 | A352-I466 WeakPolarHBondContact O-CA 3.23Å; L353-I466 HydrophobicContact CD2-CB 3.66Å; L353-I466 HydrophobicContact CD2-CD1 4.29Å; L353-I466 HydrophobicContact CD2-CG1 3.96Å; L353-I466 HydrophobicContact CG-CG1 4.41Å; L371-I466 HydrophobicContact CD1-CD1 3.79Å; Y397-I466 VanDerWaalsContact CA-O 3.27Å; Y397-I466 WeakPolarHBondContact CA-O 3.37Å; Y397-I466 VanDerWaalsContact CB-O 3.31Å; Y397-I466 WeakPolarHBondContact CB-O 3.49Å; H398-I466 HydrophobicContact CB-CG2 3.87Å; H398-I466 PolarHBondContact N-O 3.18Å; H398-I466 VanDerWaalsContact N-O 3.12Å; H398-I466 WeakPolarHBondContact O-CG2 3.12Å; H398-I466 PolarHBondContact O-N 3.42Å |
| 467 | F | 98.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 131.5 | 168.2 | 176.2 | -134 | 0 | 0 | 0 | 109.7 | F350 A352 F367 F395 S396 L448 | F350-F467 AromaticContact CE2-CD1 3.69Å; F350-F467 HydrophobicContact CE2-CD1 3.69Å; F350-F467 AromaticContact CE2-CE1 3.84Å; F350-F467 HydrophobicContact CE2-CE1 3.84Å; F350-F467 HydrophobicContact CE2-CG 4.18Å; F350-F467 HydrophobicContact CE2-CZ 4.44Å; F350-F467 AromaticContact CZ-CD1 3.92Å; F350-F467 HydrophobicContact CZ-CD1 3.92Å; F350-F467 AromaticContact CZ-CE1 3.6Å; F350-F467 HydrophobicContact CZ-CE1 3.6Å; F350-F467 HydrophobicContact CZ-CE2 4.34Å; F350-F467 HydrophobicContact CZ-CG 4.42Å; F350-F467 AromaticContact CZ-CZ 3.83Å; F350-F467 HydrophobicContact CZ-CZ 3.83Å; A352-F467 PolarHBondContact N-O 2.69Å; A352-F467 PolarHBondContact O-N 3.31Å; F367-F467 HydrophobicContact CD1-CB 3.94Å; F367-F467 HydrophobicContact CD2-CB 3.76Å; F367-F467 HydrophobicContact CD2-CD1 4.04Å; F367-F467 HydrophobicContact CD2-CG 4.35Å; F367-F467 HydrophobicContact CE1-CB 3.78Å; F367-F467 HydrophobicContact CE2-CB 3.58Å; F367-F467 HydrophobicContact CE2-CD1 4.07Å; F367-F467 HydrophobicContact CE2-CG 4.13Å; F367-F467 HydrophobicContact CG-CB 3.96Å; F367-F467 HydrophobicContact CZ-CB 3.62Å; F395-F467 HydrophobicContact CB-CE2 4.39Å; F395-F467 HydrophobicContact CD1-CE2 4.12Å; F395-F467 AromaticContact CD1-CZ 3.99Å; F395-F467 HydrophobicContact CD1-CZ 3.99Å; S396-F467 WeakPolarHBondContact O-CD2 3.31Å; L448-F467 HydrophobicContact CD1-CB 3.96Å; L448-F467 HydrophobicContact CD1-CD1 4.3Å; L448-F467 HydrophobicContact CD1-CD2 3.63Å; L448-F467 HydrophobicContact CD1-CE2 4.17Å; L448-F467 HydrophobicContact CD1-CG 3.71Å; L448-F467 HydrophobicContact CD2-CD2 4.27Å; L448-F467 HydrophobicContact CD2-CE2 3.98Å; L448-F467 HydrophobicContact CD2-CZ 4.31Å; L448-F467 HydrophobicContact CG-CD1 4.14Å; L448-F467 HydrophobicContact CG-CD2 3.83Å; L448-F467 HydrophobicContact CG-CE1 4.17Å; L448-F467 HydrophobicContact CG-CE2 3.87Å; L448-F467 HydrophobicContact CG-CG 3.98Å; L448-F467 HydrophobicContact CG-CZ 4.05Å |
| 468 | S | 98.5 | Very high | 90.3 | Very high | 19 Ų | 19 | 70 Ų | 70 | 13% | 0.133 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 154.5 | -173.3 | -57.3 | 0 | 0 | 0 | 0 | 111 | F350 S351 F395 S396 | F350-S468 WeakPolarHBondContact O-CA 3.44Å; S351-S468 PolarHBondContact OG-OG 3.16Å; F395-S468 WeakPolarHBondContact CA-O 3.35Å; S396-S468 PolarHBondContact N-O 3.23Å; S396-S468 PolarHBondContact O-N 2.79Å; S396-S468 VanDerWaalsContact O-O 3.12Å |
| 469 | G | 98 | Very high | 88.1 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.01 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 147 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A349 F350 V394 | A349-G469 CarbonylContact C-O 3.59Å; A349-G469 WeakPolarHBondContact CA-O 3.19Å; F350-G469 WeakPolarHBondContact CD1-O 3.26Å; F350-G469 PolarHBondContact N-O 3.34Å; F350-G469 PolarHBondContact O-N 3.22Å; V394-G469 CarbonylContact O-C 3.56Å; V394-G469 WeakPolarHBondContact O-CA 3.28Å |
| 470 | F | 97.3 | Very high | 85.5 | Confident | 91 Ų | 91 | 87.3 Ų | 87.3 | 40% | 0.399 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 148.7 | -178.7 | 64 | -88.1 | 0 | 0 | 0 | 112.4 | S348 A349 Y393 V394 L472 | S348-F470 CarbonylContact O-C 3.15Å; S348-F470 WeakPolarHBondContact O-CA 3.31Å; A349-F470 HydrophobicContact CB-CB 3.83Å; Y393-F470 WeakPolarHBondContact CA-O 3.38Å; Y393-F470 VanDerWaalsContact CD1-C 3.47Å; V394-F470 HydrophobicContact CB-CD1 4.27Å; V394-F470 HydrophobicContact CB-CE1 3.77Å; V394-F470 HydrophobicContact CB-CE2 4.08Å; V394-F470 HydrophobicContact CB-CZ 3.66Å; V394-F470 HydrophobicContact CG1-CE1 3.89Å; V394-F470 HydrophobicContact CG1-CZ 3.98Å; V394-F470 HydrophobicContact CG2-CE1 4.5Å; V394-F470 HydrophobicContact CG2-CE2 4.06Å; V394-F470 HydrophobicContact CG2-CZ 3.89Å; V394-F470 PolarHBondContact N-O 3.38Å; V394-F470 PolarHBondContact O-N 2.79Å; F470-L472 HydrophobicContact CE2-CB 4.34Å; F470-L472 HydrophobicContact CE2-CD1 4.22Å; F470-L472 PolarHBondContact O-N 3.4Å |
| 471 | L | 96.8 | Very high | 82.8 | Confident | 21 Ų | 21 | 91.2 Ų | 91.2 | 11% | 0.11 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 118.4 | 171.6 | -179 | 57 | 0 | 0 | 0 | 109.7 | P346 S348 A389 Y393 Y473 P474 | P346-L471 HydrophobicContact CB-CD2 3.99Å; S348-L471 PolarHBondContact O-N 3.38Å; A389-L471 HydrophobicContact CB-CD2 4.03Å; Y393-L471 HydrophobicContact CD1-CB 4.08Å; Y393-L471 HydrophobicContact CD2-CD1 3.95Å; Y393-L471 HydrophobicContact CE1-CB 3.66Å; Y393-L471 HydrophobicContact CE1-CD1 4.35Å; Y393-L471 HydrophobicContact CE2-CD1 3.7Å; Y393-L471 HydrophobicContact CG-CD1 4.41Å; L471-Y473 WeakPolarHBondContact CD1-O 3.1Å; L471-P474 HydrophobicContact CD2-CB 4.15Å |
| 472 | L | 95.5 | Very high | 80.9 | Confident | 66 Ų | 66 | 94.7 Ų | 94.7 | 35% | 0.346 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -44.1 | 178 | 177.9 | 67.6 | 0 | 0 | 0 | 111.2 | T392 V394 F470 | T392-L472 WeakPolarHBondContact O-CB 2.94Å; T392-L472 PolarHBondContact O-N 3.27Å; V394-L472 HydrophobicContact CG2-CB 4.02Å; V394-L472 HydrophobicContact CG2-CD2 3.89Å; V394-L472 HydrophobicContact CG2-CG 4.46Å; F470-L472 HydrophobicContact CE2-CB 4.34Å; F470-L472 HydrophobicContact CE2-CD1 4.22Å; F470-L472 PolarHBondContact O-N 3.4Å |
| 473 | Y | 94 | Very high | 80.4 | Confident | 149 Ų | 149 | 90.4 Ų | 90.4 | 58% | 0.584 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 109.5 | 176.9 | -56 | -59.2 | 0 | 0 | 0 | 110.4 | G391 T392 L471 | G391-Y473 CarbonylContact C-O 3.57Å; G391-Y473 VanDerWaalsContact CA-O 3.24Å; G391-Y473 WeakPolarHBondContact CA-O 3.37Å; T392-Y473 HydrophobicContact CG2-CD2 4.32Å; T392-Y473 PolarHBondContact N-O 3.3Å; T392-Y473 PolarHBondContact O-N 3.14Å; T392-Y473 VanDerWaalsContact O-N 3.13Å; L471-Y473 WeakPolarHBondContact CD1-O 3.1Å |
| 474 | P | 92.3 | Very high | 79.8 | Confident | 50 Ų | 50 | 93.6 Ų | 93.6 | 33% | 0.325 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 139.2 | 168 | 26.9 | -33.7 | 0 | 0 | 0 | 110 | P346 L471 E476 | P346-P474 HydrophobicContact CB-CB 4.09Å; P346-P474 HydrophobicContact CG-CB 3.84Å; P346-P474 HydrophobicContact CG-CG 4.46Å; L471-P474 HydrophobicContact CD2-CB 4.15Å; P474-E476 PolarHBondContact O-N 3.09Å |
| 475 | E | 89.5 | Confident | 78.9 | Confident | 89 Ų | 89 | 94.4 Ų | 94.4 | 42% | 0.416 | 48% | 0.478 | S | S | . | . | trans | -76 | 119.2 | 170.1 | -176 | 145.6 | -141.5 | 0 | 0 | 108.8 | P390 K439 T477 | P390-E475 HydrophobicContact CB-CB 4.31Å; P390-E475 HydrophobicContact CG-CB 4.45Å; P390-E475 WeakPolarHBondContact O-CB 2.89Å; P390-E475 PolarHBondContact O-N 3.09Å; K439-E475 WeakPolarHBondContact CE-OE2 2.89Å; K439-E475 IonicContact NZ-OE1 3.8Å; K439-E475 PolarHBondContact NZ-OE1 3.41Å; K439-E475 IonicContact NZ-OE2 2.64Å; K439-E475 PolarHBondContact NZ-OE2 3.41Å; E475-T477 PolarHBondContact O-N 2.96Å | ||
| 476 | E | 79.1 | Confident | 77.8 | Confident | 174 Ų | 174 | 100 Ų | 100 | 81% | 0.813 | 51% | 0.506 | S | S | * | . | trans | -62.1 | 104.9 | -178.6 | -71.7 | -165.3 | 161.2 | 0 | 0 | 110.2 | P474 L478 | P474-E476 PolarHBondContact O-N 3.09Å; E476-L478 VanDerWaalsContact C-N 3.31Å; E476-L478 PolarHBondContact O-N 2.69Å | ||
| 477 | T | 60.9 | Low | 76.5 | Confident | 108 Ų | 108 | 103.9 Ų | 103.9 | 66% | 0.663 | 53% | 0.525 | S | S | * | . | trans | -66.3 | 97.5 | 165.7 | 47.2 | 0 | 0 | 0 | 0 | 108 | E475 R479 | E475-T477 PolarHBondContact O-N 2.96Å; T477-R479 PolarHBondContact O-N 3.42Å | ||
| 478 | L | 49.9 | Very low | 75.1 | Confident | 161 Ų | 161 | 110.7 Ų | 110.7 | 84% | 0.843 | 56% | 0.56 | S | S | * | * | trans | -57.5 | 84.2 | 166.9 | -93.7 | 167.7 | 0 | 0 | 0 | 108.9 | E476 K480 | E476-L478 VanDerWaalsContact C-N 3.31Å; E476-L478 PolarHBondContact O-N 2.69Å; L478-K480 PolarHBondContact O-N 3.3Å | ||
| 479 | R | 48.4 | Very low | 73.4 | Confident | 227 Ų | 227 | 117.3 Ų | 117.3 | 86% | 0.857 | 59% | 0.591 | S | S | * | * | trans | -60.9 | 94.2 | 163.8 | -72.4 | -173.9 | 178.5 | -172.5 | 1 | 106.2 | T477 S481 | T477-R479 PolarHBondContact O-N 3.42Å; R479-S481 PolarHBondContact O-N 2.89Å | ||
| 480 | K | 41.9 | Very low | 71.5 | Confident | 200 Ų | 200 | 126.2 Ų | 126.2 | 87% | 0.87 | 64% | 0.635 | S | S | * | * | trans | -52.3 | 109 | 158.6 | -73 | -176 | 174.8 | -177.6 | 0 | 106 | L478 | L478-K480 PolarHBondContact O-N 3.3Š| ||
| 481 | S | 35 | Very low | 69.3 | Low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 66% | 0.655 | S | S | * | * | trans | -57.9 | 133.9 | 170.3 | 48.8 | 0 | 0 | 0 | 0 | 108.2 | R479 | R479-S481 PolarHBondContact O-N 2.89Š| ||
| 482 | P | 48.7 | Very low | 66.8 | Low | 200 Ų | 200 | 139 Ų | 139 | 100% | 1.299 | 70% | 0.704 | S | S | * | * | trans | -64.8 | 0 | 172.6 | 31.1 | -35.7 | 0 | 0 | 0 | 111.5 |
Retrieved 482 of 482 residues in 320.4 ms
(Link to these results)