| 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 | 43.7 | Very low | 44.7 | Very low | 245 Ų | 245 | 156.2 Ų | 156.2 | 100% | 1.207 | 82% | 0.815 | S | S | * | * | 0 | 150.3 | 0 | -78 | 168.5 | 76.4 | 0 | 0 | 108.4 | |||||
| 2 | Q | 45 | Very low | 44.1 | Very low | 190 Ų | 190 | 151.3 Ų | 151.3 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -45.3 | 144.7 | -157 | -81.2 | 154.6 | -59.8 | 0 | 0 | 118.9 | ||||
| 3 | F | 41.6 | Very low | 43.9 | Very low | 203 Ų | 203 | 149.3 Ų | 149.3 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -46 | 129.7 | 156.1 | -76.9 | -99.4 | 0 | 0 | 0 | 112.9 | ||||
| 4 | I | 49 | Very low | 43.4 | Very low | 140 Ų | 140 | 149.9 Ų | 149.9 | 72% | 0.718 | 80% | 0.798 | S | S | * | * | trans | -132.3 | 96.5 | 146.4 | -59 | 179.4 | 0 | 0 | 0 | 106.7 | F6 | I4-F6 HydrophobicContact CG2-CD2 3.55Å; I4-F6 HydrophobicContact CG2-CE2 3.75Å; I4-F6 PolarHBondContact O-N 3.13Å | ||
| 5 | A | 49.2 | Very low | 43.1 | Very low | 84 Ų | 84 | 149.3 Ų | 149.3 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | trans | -74.4 | 102.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | I7 | A5-I7 PolarHBondContact O-N 2.77Š| ||
| 6 | F | 51.1 | Low | 42.6 | Very low | 186 Ų | 186 | 145 Ų | 145 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | -79.4 | 103.4 | 168.6 | -107.4 | -87.6 | 0 | 0 | 0 | 108.5 | I4 L8 | I4-F6 HydrophobicContact CG2-CD2 3.55Å; I4-F6 HydrophobicContact CG2-CE2 3.75Å; I4-F6 PolarHBondContact O-N 3.13Å; F6-L8 PolarHBondContact O-N 3.01Å; F6-L8 VanDerWaalsContact O-N 3.16Å | ||
| 7 | I | 52.4 | Low | 42.2 | Very low | 142 Ų | 142 | 148.5 Ų | 148.5 | 73% | 0.728 | 78% | 0.781 | S | S | * | * | trans | -61 | 111.3 | 170.7 | -67.6 | 171.6 | 0 | 0 | 0 | 107.8 | A5 C9 | A5-I7 PolarHBondContact O-N 2.77Å; I7-C9 VanDerWaalsContact C-N 3.29Å; I7-C9 PolarHBondContact O-N 3.3Å | ||
| 8 | L | 42.9 | Very low | 41.7 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -65.2 | 85.3 | 166.6 | -84.9 | 152.3 | 0 | 0 | 0 | 109.1 | F6 V10 | F6-L8 PolarHBondContact O-N 3.01Å; F6-L8 VanDerWaalsContact O-N 3.16Å; L8-V10 HydrophobicContact CB-CG2 4.41Å; L8-V10 HydrophobicContact CD2-CG2 4.5Å; L8-V10 PolarHBondContact O-N 3.39Å | ||
| 9 | C | 41.1 | Very low | 41.2 | Very low | 104 Ų | 104 | 148.5 Ų | 148.5 | 70% | 0.703 | 78% | 0.781 | S | S | * | * | trans | -72.9 | 81.8 | 160.3 | -81.1 | 0 | 0 | 0 | 0 | 108.6 | I7 L11 | I7-C9 VanDerWaalsContact C-N 3.29Å; I7-C9 PolarHBondContact O-N 3.3Å; C9-L11 PolarHBondContact O-N 2.89Å | ||
| 10 | V | 38.9 | Very low | 40.7 | Very low | 120 Ų | 120 | 151.2 Ų | 151.2 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -72.1 | 77.3 | 160.9 | -173.2 | 0 | 0 | 0 | 0 | 106.7 | L8 | L8-V10 HydrophobicContact CB-CG2 4.41Å; L8-V10 HydrophobicContact CD2-CG2 4.5Å; L8-V10 PolarHBondContact O-N 3.39Å | ||
| 11 | L | 37.4 | Very low | 40 | Very low | 146 Ų | 146 | 151.5 Ų | 151.5 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -75.8 | 118.4 | 160.8 | -81.7 | 167.6 | 0 | 0 | 0 | 106.2 | C9 V13 | C9-L11 PolarHBondContact O-N 2.89Å; L11-V13 PolarHBondContact O-N 3.36Å; L11-V13 VanDerWaalsContact O-N 3.12Å | ||
| 12 | P | 37.7 | Very low | 39.3 | Very low | 97 Ų | 97 | 145.4 Ų | 145.4 | 63% | 0.63 | 75% | 0.748 | S | S | * | * | trans | -59 | 125 | 176.5 | 26.1 | -30.9 | 0 | 0 | 0 | 106.2 | L14 | P12-L14 PolarHBondContact O-N 3.07Š| ||
| 13 | V | 40.5 | Very low | 38.4 | Very low | 126 Ų | 126 | 141 Ų | 141 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | trans | -59.7 | 88.1 | 160.3 | -179.8 | 0 | 0 | 0 | 0 | 104.2 | L11 E15 | L11-V13 PolarHBondContact O-N 3.36Å; L11-V13 VanDerWaalsContact O-N 3.12Å; V13-E15 HydrophobicContact CG1-CG 3.89Å; V13-E15 PolarHBondContact O-N 3.35Å | ||
| 14 | L | 37.1 | Very low | 38 | Very low | 157 Ų | 157 | 141 Ų | 141 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | trans | -61.3 | 84 | 157.3 | -143.6 | 94.4 | 0 | 0 | 0 | 101.8 | P12 A16 | P12-L14 PolarHBondContact O-N 3.07Å; L14-A16 PolarHBondContact O-N 3.05Å | ||
| 15 | E | 39 | Very low | 36.8 | Very low | 141 Ų | 141 | 142.6 Ų | 142.6 | 66% | 0.659 | 74% | 0.735 | S | S | * | * | trans | -51.8 | 102 | 166.7 | -75.4 | -176.1 | 164.7 | 0 | 0 | 103.5 | V13 R17 | V13-E15 HydrophobicContact CG1-CG 3.89Å; V13-E15 PolarHBondContact O-N 3.35Å; E15-R17 PolarHBondContact O-N 3.35Å | ||
| 16 | A | 35.6 | Very low | 35.8 | Very low | 81 Ų | 81 | 144.3 Ų | 144.3 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | trans | -58.1 | 82.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 104.2 | L14 L18 | L14-A16 PolarHBondContact O-N 3.05Å; A16-L18 PolarHBondContact O-N 2.94Å | ||
| 17 | R | 35.4 | Very low | 34.8 | Very low | 204 Ų | 204 | 141.3 Ų | 141.3 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | -58.6 | 78.1 | 145 | -66.5 | -168.8 | 179.7 | -162.4 | 0.6 | 103.5 | E15 L19 | E15-R17 PolarHBondContact O-N 3.35Å; R17-L19 PolarHBondContact O-N 2.86Å | ||
| 18 | L | 33 | Very low | 33.9 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | trans | -46.9 | 92.6 | 145.5 | -83.9 | 158.9 | 0 | 0 | 0 | 103 | A16 Y20 | A16-L18 PolarHBondContact O-N 2.94Å; L18-Y20 PolarHBondContact O-N 2.63Å | ||
| 19 | L | 33.1 | Very low | 33.5 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | trans | -48.7 | 95.4 | 157.5 | -77.7 | 159.2 | 0 | 0 | 0 | 103.1 | R17 Q21 | R17-L19 PolarHBondContact O-N 2.86Å; L19-Q21 PolarHBondContact O-N 2.98Å | ||
| 20 | Y | 30.2 | Very low | 33.8 | Very low | 202 Ų | 202 | 133.8 Ų | 133.8 | 79% | 0.792 | 70% | 0.695 | S | S | * | * | trans | -67.4 | 72.2 | 165.2 | -167.8 | -93.4 | 0 | 0 | 0 | 104.8 | L18 E22 | L18-Y20 PolarHBondContact O-N 2.63Å; Y20-E22 VanDerWaalsContact C-N 3.32Å; Y20-E22 HydrophobicContact CD1-CG 4.01Å; Y20-E22 HydrophobicContact CE1-CG 3.62Å; Y20-E22 PolarHBondContact O-N 2.87Å; Y20-E22 VanDerWaalsContact O-N 3.17Å | ||
| 21 | Q | 26.3 | Very low | 34 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 73% | 0.734 | 67% | 0.672 | S | S | * | * | trans | -83.7 | 91.4 | 177.2 | -167.3 | 175.2 | -8.3 | 0 | 0 | 103.6 | L19 S23 | L19-Q21 PolarHBondContact O-N 2.98Å; Q21-S23 PolarHBondContact O-N 3.25Å | ||
| 22 | E | 29.7 | Very low | 34.9 | Very low | 118 Ų | 118 | 126 Ų | 126 | 55% | 0.551 | 65% | 0.65 | S | S | * | * | trans | -55.7 | 89.9 | 159.3 | -74.9 | -175.7 | 159.9 | 0 | 0 | 107.1 | Y20 Y24 | Y20-E22 VanDerWaalsContact C-N 3.32Å; Y20-E22 HydrophobicContact CD1-CG 4.01Å; Y20-E22 HydrophobicContact CE1-CG 3.62Å; Y20-E22 PolarHBondContact O-N 2.87Å; Y20-E22 VanDerWaalsContact O-N 3.17Å; E22-Y24 VanDerWaalsContact C-N 3.32Å; E22-Y24 PolarHBondContact O-N 3.24Å | ||
| 23 | S | 25.9 | Very low | 35.6 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 67% | 0.671 | 64% | 0.641 | S | S | * | * | trans | -71.1 | 96.8 | 170.4 | 55.1 | 0 | 0 | 0 | 0 | 106.2 | Q21 K25 | Q21-S23 PolarHBondContact O-N 3.25Å; S23-K25 PolarHBondContact O-N 2.99Å | ||
| 24 | Y | 32.5 | Very low | 36.3 | Very low | 203 Ų | 203 | 121.8 Ų | 121.8 | 80% | 0.796 | 61% | 0.608 | S | S | * | * | trans | -64.7 | 82.6 | 153.1 | 59 | -80.9 | 0 | 0 | 0 | 105.4 | E22 V26 | E22-Y24 VanDerWaalsContact C-N 3.32Å; E22-Y24 PolarHBondContact O-N 3.24Å; Y24-V26 HydrophobicContact CD2-CG2 3.67Å; Y24-V26 HydrophobicContact CE2-CG2 4.16Å; Y24-V26 PolarHBondContact O-N 3.17Å | ||
| 25 | K | 23.6 | Very low | 37.4 | Very low | 174 Ų | 174 | 119.7 Ų | 119.7 | 76% | 0.757 | 59% | 0.591 | S | S | * | * | trans | -65.6 | 95.3 | 166.2 | -156.1 | 174.5 | -172.9 | 177.6 | 0 | 103.8 | S23 I27 | S23-K25 PolarHBondContact O-N 2.99Å; K25-I27 HydrophobicContact CB-CG1 4.39Å; K25-I27 HydrophobicContact CD-CG1 4.45Å; K25-I27 HydrophobicContact CG-CG1 4.2Å; K25-I27 PolarHBondContact O-N 2.84Å | ||
| 26 | V | 29.5 | Very low | 38.6 | Very low | 121 Ų | 121 | 114.8 Ų | 114.8 | 73% | 0.733 | 57% | 0.572 | S | S | * | * | trans | -63.1 | 76.5 | 162.9 | -174.2 | 0 | 0 | 0 | 0 | 105 | Y24 S28 | Y24-V26 HydrophobicContact CD2-CG2 3.67Å; Y24-V26 HydrophobicContact CE2-CG2 4.16Å; Y24-V26 PolarHBondContact O-N 3.17Å; V26-S28 PolarHBondContact O-N 3.45Å | ||
| 27 | I | 28.6 | Very low | 40.1 | Very low | 123 Ų | 123 | 112.7 Ų | 112.7 | 63% | 0.631 | 55% | 0.551 | S | S | * | * | trans | -56.5 | 129.7 | 161.3 | -60.9 | 173 | 0 | 0 | 0 | 103 | K25 G29 | K25-I27 HydrophobicContact CB-CG1 4.39Å; K25-I27 HydrophobicContact CD-CG1 4.45Å; K25-I27 HydrophobicContact CG-CG1 4.2Å; K25-I27 PolarHBondContact O-N 2.84Å; I27-G29 PolarHBondContact O-N 2.88Å | ||
| 28 | S | 33 | Very low | 41.5 | Very low | 127 Ų | 127 | 109.1 Ų | 109.1 | 89% | 0.888 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -66.9 | 31.8 | 177.7 | 82.2 | 0 | 0 | 0 | 0 | 112.8 | V26 | V26-S28 PolarHBondContact O-N 3.45Š|
| 29 | G | 35.3 | Very low | 43 | Very low | 28 Ų | 28 | 104 Ų | 104 | 29% | 0.289 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -99.6 | 113.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | I27 Y31 | I27-G29 PolarHBondContact O-N 2.88Å; G29-Y31 PolarHBondContact O-N 2.75Å |
| 30 | K | 48 | Very low | 44.5 | Very low | 90 Ų | 90 | 105.1 Ų | 105.1 | 39% | 0.391 | 51% | 0.51 | S | S | . | . | trans | -63.8 | 63.8 | -175.3 | -74.5 | 165 | 154.1 | -176.3 | 0 | 113.8 | Y156 | K30-Y156 HydrophobicContact CB-CE1 4.3Å; K30-Y156 WeakPolarHBondContact CD-OH 3.21Å; K30-Y156 VanDerWaalsContact CE-OH 3.25Å; K30-Y156 WeakPolarHBondContact CE-OH 3.36Å; K30-Y156 WeakPolarHBondContact CG-OH 3.34Å | ||
| 31 | Y | 43.6 | Very low | 46.1 | Very low | 59 Ų | 59 | 99 Ų | 99 | 23% | 0.231 | 49% | 0.489 | C | S | . | . | trans | -126.3 | 138 | 169 | -70.2 | -79.7 | 0 | 0 | 0 | 111.5 | G29 Y33 I199 G200 | G29-Y31 PolarHBondContact O-N 2.75Å; Y31-Y33 VanDerWaalsContact CB-OH 3.24Å; Y31-Y33 WeakPolarHBondContact CB-OH 3.31Å; Y31-Y33 HydrophobicContact CD1-CE1 4.03Å; Y31-Y33 AromaticContact CD1-CZ 3.83Å; Y31-Y33 WeakPolarHBondContact CD1-OH 3.44Å; Y31-Y33 WeakPolarHBondContact CD2-OH 3.36Å; Y31-Y33 HydrophobicContact CG-CE1 4.29Å; Y31-Y33 HydrophobicContact CG-CE2 4.17Å; Y31-Y33 AromaticContact CG-CZ 3.62Å; Y31-I199 PolarHBondContact OH-O 3.27Å; Y31-G200 WeakPolarHBondContact OH-CA 3.47Å; Y31-G200 PolarHBondContact OH-O 3.3Å | ||
| 32 | S | 54.4 | Low | 48 | Very low | 44 Ų | 44 | 95.1 Ų | 95.1 | 31% | 0.308 | 48% | 0.476 | S | S | . | . | trans | -128.5 | 136.6 | 163.6 | -54.5 | 0 | 0 | 0 | 0 | 106.5 | P116 F117 | S32-P116 WeakPolarHBondContact OG-CG 3.43Å; S32-F117 WeakPolarHBondContact O-CZ 3.2Å | ||
| 33 | Y | 54.1 | Low | 48.9 | Very low | 115 Ų | 115 | 93.2 Ų | 93.2 | 45% | 0.451 | 47% | 0.472 | S | S | . | . | trans | -129.3 | 154.9 | -174.6 | -51.1 | -87.9 | 0 | 0 | 0 | 109.4 | Y31 I166 | Y31-Y33 VanDerWaalsContact CB-OH 3.24Å; Y31-Y33 WeakPolarHBondContact CB-OH 3.31Å; Y31-Y33 HydrophobicContact CD1-CE1 4.03Å; Y31-Y33 AromaticContact CD1-CZ 3.83Å; Y31-Y33 WeakPolarHBondContact CD1-OH 3.44Å; Y31-Y33 WeakPolarHBondContact CD2-OH 3.36Å; Y31-Y33 HydrophobicContact CG-CE1 4.29Å; Y31-Y33 HydrophobicContact CG-CE2 4.17Å; Y31-Y33 AromaticContact CG-CZ 3.62Å; Y33-I166 HydrophobicContact CD1-CG2 3.66Å; Y33-I166 HydrophobicContact CE1-CG2 4.28Å | ||
| 34 | Y | 55.3 | Low | 50.2 | Low | 19 Ų | 19 | 90.9 Ų | 90.9 | 8% | 0.075 | 45% | 0.454 | C | S | . | . | trans | -149.8 | 155 | 171.7 | 176.3 | -103.6 | 0 | 0 | 0 | 111.8 | Y119 F130 A132 R164 | Y34-Y119 HydrophobicContact CD1-CD1 4.13Å; Y34-Y119 AromaticContact CD1-CE1 3.45Å; Y34-Y119 HydrophobicContact CD1-CE1 3.45Å; Y34-Y119 VanDerWaalsContact CD1-CE1 3.45Å; Y34-Y119 HydrophobicContact CD2-CD1 4.42Å; Y34-Y119 AromaticContact CD2-CE1 3.34Å; Y34-Y119 HydrophobicContact CD2-CE1 3.34Å; Y34-Y119 AromaticContact CD2-CZ 3.82Å; Y34-Y119 WeakPolarHBondContact CD2-OH 3.39Å; Y34-Y119 AromaticContact CE1-CD1 3.68Å; Y34-Y119 HydrophobicContact CE1-CD1 3.68Å; Y34-Y119 AromaticContact CE1-CE1 3.38Å; Y34-Y119 HydrophobicContact CE1-CE1 3.38Å; Y34-Y119 HydrophobicContact CE2-CD1 4.08Å; Y34-Y119 AromaticContact CE2-CE1 3.36Å; Y34-Y119 HydrophobicContact CE2-CE1 3.36Å; Y34-Y119 HydrophobicContact CG-CD1 4.43Å; Y34-Y119 AromaticContact CG-CE1 3.37Å; Y34-Y119 HydrophobicContact CG-CE1 3.37Å; Y34-Y119 AromaticContact CG-CZ 3.96Å; Y34-Y119 AromaticContact CZ-CD1 3.68Å; Y34-Y119 AromaticContact CZ-CE1 3.37Å; Y34-F130 AromaticContact CZ-CE1 3.9Å; Y34-F130 WeakPolarHBondContact OH-CD1 3.48Å; Y34-F130 WeakPolarHBondContact OH-CE1 3.25Å; Y34-A132 HydrophobicContact CD1-CB 3.45Å; Y34-A132 VanDerWaalsContact CD1-CB 3.45Å; Y34-A132 HydrophobicContact CE1-CB 4.04Å; Y34-A132 HydrophobicContact CG-CB 4.22Å; Y34-R164 WeakPolarHBondContact O-CA 3.17Å; Y34-R164 WeakPolarHBondContact O-CB 3.02Å; Y34-R164 WeakPolarHBondContact O-CG 3.48Å | ||
| 35 | Y | 58.9 | Low | 51 | Low | 114 Ų | 114 | 89.3 Ų | 89.3 | 45% | 0.447 | 45% | 0.448 | S | S | . | . | B | Isolated β-bridge | trans | -112 | 138.7 | -177.2 | 65.7 | -88 | 0 | 0 | 0 | 112.3 | T37 E79 | Y35-T37 HydrophobicContact CD2-CG2 3.87Å; Y35-T37 HydrophobicContact CE2-CG2 3.74Å; Y35-E79 VanDerWaalsContact CE2-OE1 3.28Å; Y35-E79 WeakPolarHBondContact CE2-OE1 3.48Å; Y35-E79 PolarHBondContact OH-OE1 3.18Å |
| 36 | S | 64.8 | Low | 52.3 | Low | 38 Ų | 38 | 83.4 Ų | 83.4 | 27% | 0.266 | 42% | 0.422 | S | S | . | . | trans | -88.3 | 154.6 | 169.9 | 62.4 | 0 | 0 | 0 | 0 | 113.1 | F130 D163 | S36-F130 WeakPolarHBondContact CA-O 3.45Å; S36-D163 PolarHBondContact N-O 2.87Å; S36-D163 PolarHBondContact OG-O 2.05Å; S36-D163 VanDerWaalsContact OG-O 3.12Å | ||
| 37 | T | 66.3 | Low | 53.1 | Low | 37 Ų | 37 | 85.8 Ų | 85.8 | 23% | 0.227 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 144.9 | 167.6 | 61.3 | 0 | 0 | 0 | 0 | 110.9 | Y35 E79 T129 F130 | Y35-T37 HydrophobicContact CD2-CG2 3.87Å; Y35-T37 HydrophobicContact CE2-CG2 3.74Å; T37-E79 VanDerWaalsContact CB-OE2 3.31Å; T37-E79 WeakPolarHBondContact CB-OE2 3.37Å; T37-E79 WeakPolarHBondContact CG2-OE2 3.48Å; T37-E79 PolarHBondContact OG1-OE2 2.76Å; T37-T129 WeakPolarHBondContact O-CG2 3.48Å; T37-F130 PolarHBondContact N-O 2.8Å; T37-F130 PolarHBondContact O-N 2.05Å |
| 38 | E | 66 | Low | 54.1 | Low | 128 Ų | 128 | 82 Ų | 82 | 60% | 0.598 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 145.9 | 178.3 | 63 | 170.9 | -153.3 | 0 | 0 | 111.3 | ||
| 39 | I | 64.5 | Low | 55 | Low | 49 Ų | 49 | 79.9 Ų | 79.9 | 25% | 0.251 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 149.1 | 170.2 | -157.6 | 167.7 | 0 | 0 | 0 | 112.4 | F80 Y82 P96 L128 | I39-F80 HydrophobicContact CB-CD2 4.3Å; I39-F80 HydrophobicContact CB-CE2 4.07Å; I39-F80 HydrophobicContact CB-CZ 4.31Å; I39-F80 HydrophobicContact CG2-CD1 3.87Å; I39-F80 HydrophobicContact CG2-CD2 3.88Å; I39-F80 HydrophobicContact CG2-CE1 3.89Å; I39-F80 HydrophobicContact CG2-CE2 3.92Å; I39-F80 HydrophobicContact CG2-CG 3.87Å; I39-F80 HydrophobicContact CG2-CZ 3.92Å; I39-Y82 HydrophobicContact CD1-CE1 3.94Å; I39-Y82 WeakPolarHBondContact CD1-OH 3.32Å; I39-P96 HydrophobicContact CG2-CB 4.09Å; I39-P96 HydrophobicContact CG2-CG 4.35Å; I39-L128 PolarHBondContact N-O 2.83Å; I39-L128 PolarHBondContact O-N 3.47Å |
| 40 | R | 63.6 | Low | 55.9 | Low | 165 Ų | 165 | 86.1 Ų | 86.1 | 62% | 0.623 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 153.2 | 175.8 | -42.3 | -146.7 | 163.7 | 166.9 | -4.7 | 111.1 | T42 L127 | R40-T42 PolarHBondContact O-N 2.93Å; R40-L127 HydrophobicContact CB-CD2 3.71Å; R40-L127 HydrophobicContact CG-CD2 3.32Å |
| 41 | E | 63.8 | Low | 56.2 | Low | 75 Ų | 75 | 88.5 Ų | 88.5 | 35% | 0.35 | 41% | 0.411 | S | S | . | . | trans | -51.7 | 130.9 | 159.1 | -68.4 | 172.7 | -179.3 | 0 | 0 | 110.4 | ||||
| 42 | T | 65.7 | Low | 57.4 | Low | 74 Ų | 74 | 89.2 Ų | 89.2 | 45% | 0.454 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 134.8 | 172.5 | 49.2 | 0 | 0 | 0 | 0 | 110.2 | R40 I94 | R40-T42 PolarHBondContact O-N 2.93Å; T42-I94 PolarHBondContact O-N 3.46Å |
| 43 | V | 49.6 | Very low | 57.8 | Low | 79 Ų | 79 | 93 Ų | 93 | 48% | 0.479 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 108.5 | 174.8 | -178.2 | 0 | 0 | 0 | 0 | 107.4 | ||
| 44 | T | 53.5 | Low | 58.1 | Low | 47 Ų | 47 | 95.5 Ų | 95.5 | 29% | 0.288 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 134.5 | 179 | -45.3 | 0 | 0 | 0 | 0 | 109.7 | ||
| 45 | Y | 48.2 | Very low | 58.2 | Low | 169 Ų | 169 | 101.1 Ų | 101.1 | 66% | 0.663 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -90.6 | 144.1 | 169.6 | -67.6 | -91.7 | 0 | 0 | 0 | 109.9 | M91 | Y45-M91 HydrophobicContact CD1-CG 4.08Å; Y45-M91 HydrophobicContact CE1-CE 3.57Å; Y45-M91 HydrophobicContact CE1-CG 3.82Å; Y45-M91 HydrophobicContact CE1-SD 4.43Å |
| 46 | K | 52.2 | Low | 58.2 | Low | 51 Ų | 51 | 99.6 Ų | 99.6 | 22% | 0.222 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -90 | 162.3 | -143.4 | -103.1 | -162.6 | -174.4 | 93.3 | 0 | 118.4 | V58 Y90 M91 | K46-V58 HydrophobicContact CD-CB 4.22Å; K46-V58 HydrophobicContact CD-CG1 4.27Å; K46-V58 HydrophobicContact CD-CG2 3.46Å; K46-V58 VanDerWaalsContact CD-CG2 3.46Å; K46-Y90 PolarHBondContact NZ-O 2.86Å; K46-M91 VanDerWaalsContact NZ-C 3.29Å |
| 47 | W | 44.7 | Very low | 58.2 | Low | 170 Ų | 170 | 104.1 Ų | 104.1 | 64% | 0.644 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 128.4 | 143 | -71.2 | 79 | 0 | 0 | 0 | 111.1 | E62 | W47-E62 PolarHBondContact NE1-OE1 2.94Å; W47-E62 PolarHBondContact NE1-OE2 2.82Å |
| 48 | V | 51.4 | Low | 58 | Low | 45 Ų | 45 | 103.1 Ų | 103.1 | 27% | 0.273 | 50% | 0.504 | S | S | . | . | trans | -104.9 | 117.9 | 164.4 | 179.1 | 0 | 0 | 0 | 0 | 106.3 | Y50 R55 | V48-Y50 HydrophobicContact CB-CD2 4.46Å; V48-Y50 HydrophobicContact CB-CE2 3.88Å; V48-Y50 HydrophobicContact CG1-CD2 3.98Å; V48-Y50 HydrophobicContact CG1-CE1 4.38Å; V48-Y50 HydrophobicContact CG1-CE2 3.52Å; V48-R55 HydrophobicContact CG1-CG 3.68Å | ||
| 49 | T | 51.6 | Low | 58.6 | Low | 82 Ų | 82 | 101.2 Ų | 101.2 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | trans | -82.7 | 129.4 | 166.5 | 19.3 | 0 | 0 | 0 | 0 | 109.2 | Q56 | T49-Q56 PolarHBondContact O-N 3.33Å; T49-Q56 VanDerWaalsContact O-N 3.13Å | ||
| 50 | Y | 53.6 | Low | 59.7 | Low | 158 Ų | 158 | 99.5 Ų | 99.5 | 62% | 0.62 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.8 | 173.2 | -70.3 | -93.2 | 0 | 0 | 0 | 107.9 | V48 | V48-Y50 HydrophobicContact CB-CD2 4.46Å; V48-Y50 HydrophobicContact CB-CE2 3.88Å; V48-Y50 HydrophobicContact CG1-CD2 3.98Å; V48-Y50 HydrophobicContact CG1-CE1 4.38Å; V48-Y50 HydrophobicContact CG1-CE2 3.52Å |
| 51 | E | 53.3 | Low | 60.8 | Low | 141 Ų | 141 | 91.9 Ų | 91.9 | 66% | 0.659 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 100 | 165.4 | -160.2 | 178.4 | -152.3 | 0 | 0 | 106.6 | S53 K54 Q56 | E51-S53 PolarHBondContact O-N 2.88Å; E51-K54 PolarHBondContact N-O 3.47Å; E51-K54 PolarHBondContact O-N 2.7Å; E51-Q56 HydrophobicContact CB-CG 4.34Å; E51-Q56 PolarHBondContact OE2-NE2 3.36Å |
| 52 | G | 69.4 | Low | 61.8 | Low | 73 Ų | 73 | 90.7 Ų | 90.7 | 75% | 0.753 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | -127.4 | -166 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 53 | S | 63.3 | Low | 62.5 | Low | 124 Ų | 124 | 89 Ų | 89 | 87% | 0.867 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 3.9 | 179.1 | 43.8 | 0 | 0 | 0 | 0 | 114.2 | E51 | E51-S53 PolarHBondContact O-N 2.88Š|
| 54 | K | 60.3 | Low | 64 | Low | 168 Ų | 168 | 90 Ų | 90 | 73% | 0.73 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 121.2 | 176.8 | -70.9 | -175.8 | 179.9 | 179.1 | 0 | 110.3 | E51 Q56 | E51-K54 PolarHBondContact N-O 3.47Å; E51-K54 PolarHBondContact O-N 2.7Å; K54-Q56 PolarHBondContact O-N 2.92Å |
| 55 | R | 56.9 | Low | 65.1 | Low | 136 Ų | 136 | 93.6 Ų | 93.6 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 112.9 | 167.1 | -179.9 | 174.8 | -171.8 | -170.4 | 1.2 | 108 | V48 | V48-R55 HydrophobicContact CG1-CG 3.68Å |
| 56 | Q | 59.4 | Low | 66.6 | Low | 82 Ų | 82 | 89 Ų | 89 | 38% | 0.383 | 48% | 0.481 | S | S | . | . | trans | -76.4 | 150.4 | 174.3 | -79.1 | -166.7 | -14.4 | 0 | 0 | 111.3 | T49 E51 K54 | T49-Q56 PolarHBondContact O-N 3.33Å; T49-Q56 VanDerWaalsContact O-N 3.13Å; E51-Q56 HydrophobicContact CB-CG 4.34Å; E51-Q56 PolarHBondContact OE2-NE2 3.36Å; K54-Q56 PolarHBondContact O-N 2.92Å | ||
| 57 | E | 64.7 | Low | 68 | Low | 134 Ų | 134 | 93.2 Ų | 93.2 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | trans | -59.5 | 144.9 | 179.6 | -158.3 | -175.7 | 160.4 | 0 | 0 | 110.5 | T59 R86 | E57-T59 PolarHBondContact O-N 3.32Å; E57-R86 IonicContact OE1-CZ 3.13Å; E57-R86 IonicContact OE1-NH1 2.83Å; E57-R86 PolarHBondContact OE1-NH1 2.04Å; E57-R86 IonicContact OE1-NH2 2.88Å; E57-R86 PolarHBondContact OE1-NH2 3.13Å | ||
| 58 | V | 61.8 | Low | 69.9 | Low | 15 Ų | 15 | 87.5 Ų | 87.5 | 9% | 0.091 | 49% | 0.49 | C | S | . | . | trans | -54.2 | 114.5 | 172.3 | 152 | 0 | 0 | 0 | 0 | 110.4 | K46 F71 R86 E89 | K46-V58 HydrophobicContact CD-CB 4.22Å; K46-V58 HydrophobicContact CD-CG1 4.27Å; K46-V58 HydrophobicContact CD-CG2 3.46Å; K46-V58 VanDerWaalsContact CD-CG2 3.46Å; V58-F71 HydrophobicContact CG1-CE1 4.44Å; V58-F71 HydrophobicContact CG1-CE2 3.43Å; V58-F71 VanDerWaalsContact CG1-CE2 3.43Å; V58-F71 HydrophobicContact CG1-CZ 3.2Å; V58-F71 WeakPolarHBondContact O-CE2 3.4Å; V58-R86 PolarHBondContact O-NH2 2.96Å; V58-E89 WeakPolarHBondContact CG2-O 3.37Å | ||
| 59 | T | 80.3 | Confident | 71.7 | Confident | 88 Ų | 88 | 86 Ų | 86 | 54% | 0.54 | 48% | 0.481 | S | S | . | . | trans | -105.9 | -14.8 | -178.3 | 48.7 | 0 | 0 | 0 | 0 | 114.9 | E57 L70 F71 | E57-T59 PolarHBondContact O-N 3.32Å; T59-L70 WeakPolarHBondContact O-CA 3.36Å; T59-F71 WeakPolarHBondContact O-CD2 3.42Å; T59-F71 PolarHBondContact O-N 2.92Å | ||
| 60 | G | 86.7 | Confident | 73.6 | Confident | 14 Ų | 14 | 86.7 Ų | 86.7 | 14% | 0.144 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.5 | -159.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | I69 S92 | G60-I69 CarbonylContact C-O 3.49Å; G60-I69 WeakPolarHBondContact CA-O 3.21Å; G60-S92 VanDerWaalsContact O-CB 3.25Å; G60-S92 WeakPolarHBondContact O-CB 3.45Å; G60-S92 PolarHBondContact O-OG 2.86Å; G60-S92 VanDerWaalsContact O-OG 3.1Å |
| 61 | C | 86.7 | Confident | 75.3 | Confident | 4 Ų | 4 | 81.7 Ų | 81.7 | 3% | 0.027 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 137.2 | -178.2 | -59.6 | 0 | 0 | 0 | 0 | 109.6 | G68 I69 C84 R93 I94 | C61-G68 CarbonylContact O-C 3.5Å; C61-G68 WeakPolarHBondContact O-CA 3.27Å; C61-I69 HydrophobicContact CB-CG1 4.24Å; C61-I69 PolarHBondContact N-O 3.45Å; C61-I69 PolarHBondContact O-N 3.38Å; C61-C84 VanDerWaalsContact CA-SG 3.56Å; C61-C84 HydrophobicContact CB-CB 3.68Å; C61-C84 WeakPolarHBondContact CB-SG 3.41Å; C61-C84 PolarHBondContact N-SG 3.01Å; C61-C84 WeakPolarHBondContact SG-CA 3.28Å; C61-C84 WeakPolarHBondContact SG-CB 3.35Å; C61-C84 CovalentContact SG-SG 2.02Å; C61-C84 PolarHBondContact SG-SG 3.07Å; C61-R93 PolarHBondContact SG-O 3.48Å; C61-I94 HydrophobicContact CB-CD1 4.3Å; C61-I94 HydrophobicContact CB-CG1 3.9Å |
| 62 | E | 83.8 | Confident | 77.2 | Confident | 50 Ų | 50 | 77.2 Ų | 77.2 | 23% | 0.234 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 127 | 167.2 | -177.4 | -175.1 | -157.2 | 0 | 0 | 109.2 | W47 N64 P65 G66 | W47-E62 PolarHBondContact NE1-OE1 2.94Å; W47-E62 PolarHBondContact NE1-OE2 2.82Å; E62-N64 WeakPolarHBondContact CG-O 3.38Å; E62-P65 VanDerWaalsContact OE1-CA 3.23Å; E62-P65 WeakPolarHBondContact OE1-CA 3.45Å; E62-G66 PolarHBondContact OE1-N 2.88Å |
| 63 | I | 82.1 | Confident | 78.4 | Confident | 38 Ų | 38 | 77.9 Ų | 77.9 | 20% | 0.195 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -42.5 | 178.3 | -55.1 | 171.5 | 0 | 0 | 0 | 109.9 | Y67 I69 F75 | I63-Y67 HydrophobicContact CB-CD1 4.21Å; I63-Y67 HydrophobicContact CD1-CD1 4.24Å; I63-Y67 HydrophobicContact CD1-CE1 3.93Å; I63-Y67 PolarHBondContact N-O 2.92Å; I63-I69 HydrophobicContact CD1-CB 4.19Å; I63-I69 HydrophobicContact CD1-CD1 3.92Å; I63-I69 HydrophobicContact CD1-CG1 3.75Å; I63-I69 HydrophobicContact CD1-CG2 3.42Å; I63-I69 VanDerWaalsContact CD1-CG2 3.42Å; I63-I69 HydrophobicContact CG1-CD1 4.43Å; I63-I69 HydrophobicContact CG1-CG1 4.06Å; I63-I69 HydrophobicContact CG1-CG2 4.4Å; I63-F75 HydrophobicContact CB-CE2 4.47Å; I63-F75 HydrophobicContact CB-CZ 4.44Å; I63-F75 HydrophobicContact CD1-CB 4.14Å; I63-F75 HydrophobicContact CD1-CD1 3.53Å; I63-F75 HydrophobicContact CD1-CD2 3.68Å; I63-F75 HydrophobicContact CD1-CE1 3.67Å; I63-F75 HydrophobicContact CD1-CE2 3.86Å; I63-F75 HydrophobicContact CD1-CG 3.5Å; I63-F75 VanDerWaalsContact CD1-CG 3.5Å; I63-F75 HydrophobicContact CD1-CZ 3.84Å; I63-F75 HydrophobicContact CG1-CD1 4.23Å; I63-F75 HydrophobicContact CG1-CD2 4.44Å; I63-F75 HydrophobicContact CG1-CE1 3.84Å; I63-F75 HydrophobicContact CG1-CE2 4.11Å; I63-F75 HydrophobicContact CG1-CG 4.48Å; I63-F75 HydrophobicContact CG1-CZ 3.78Å; I63-F75 HydrophobicContact CG2-CD2 4.11Å; I63-F75 HydrophobicContact CG2-CE2 3.52Å; I63-F75 HydrophobicContact CG2-CZ 3.86Å |
| 64 | N | 80 | Confident | 79.8 | Confident | 101 Ų | 101 | 76.8 Ų | 76.8 | 54% | 0.54 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 159.3 | 175.7 | -72.6 | -40.5 | 0 | 0 | 0 | 109.2 | E62 G66 Y67 | E62-N64 WeakPolarHBondContact CG-O 3.38Å; N64-G66 PolarHBondContact O-N 2.84Å; N64-Y67 PolarHBondContact N-O 2.89Å; N64-Y67 PolarHBondContact O-N 2.94Å; N64-Y67 VanDerWaalsContact O-O 3.1Å |
| 65 | P | 76.6 | Confident | 81.4 | Confident | 122 Ų | 122 | 70.2 Ų | 70.2 | 79% | 0.792 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.5 | 111.9 | 172.8 | -30.2 | 36.9 | 0 | 0 | 0 | 112.5 | E62 Y67 | E62-P65 VanDerWaalsContact OE1-CA 3.23Å; E62-P65 WeakPolarHBondContact OE1-CA 3.45Å; P65-Y67 VanDerWaalsContact C-N 3.35Å; P65-Y67 PolarHBondContact O-N 3.43Å |
| 66 | G | 79.3 | Confident | 83.1 | Confident | 72 Ų | 72 | 69.1 Ų | 69.1 | 74% | 0.742 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 2.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | E62 N64 | E62-G66 PolarHBondContact OE1-N 2.88Å; N64-G66 PolarHBondContact O-N 2.84Å |
| 67 | Y | 82.8 | Confident | 84.6 | Confident | 140 Ų | 140 | 67.3 Ų | 67.3 | 55% | 0.549 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 111.4 | 174.7 | -175.4 | -104.5 | 0 | 0 | 0 | 110.7 | I63 N64 P65 I69 | I63-Y67 HydrophobicContact CB-CD1 4.21Å; I63-Y67 HydrophobicContact CD1-CD1 4.24Å; I63-Y67 HydrophobicContact CD1-CE1 3.93Å; I63-Y67 PolarHBondContact N-O 2.92Å; N64-Y67 PolarHBondContact N-O 2.89Å; N64-Y67 PolarHBondContact O-N 2.94Å; N64-Y67 VanDerWaalsContact O-O 3.1Å; P65-Y67 VanDerWaalsContact C-N 3.35Å; P65-Y67 PolarHBondContact O-N 3.43Å; Y67-I69 HydrophobicContact CE1-CG2 4.34Å |
| 68 | G | 84.3 | Confident | 85.7 | Confident | 50 Ų | 50 | 64.7 Ų | 64.7 | 52% | 0.515 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 159 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | C61 | C61-G68 CarbonylContact O-C 3.5Å; C61-G68 WeakPolarHBondContact O-CA 3.27Å |
| 69 | I | 88.6 | Confident | 86.9 | Confident | 13 Ų | 13 | 66 Ų | 66 | 7% | 0.067 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 153.3 | 175.1 | 59.1 | 158.8 | 0 | 0 | 0 | 110.1 | G60 C61 I63 Y67 E73 F75 C84 | G60-I69 CarbonylContact C-O 3.49Å; G60-I69 WeakPolarHBondContact CA-O 3.21Å; C61-I69 HydrophobicContact CB-CG1 4.24Å; C61-I69 PolarHBondContact N-O 3.45Å; C61-I69 PolarHBondContact O-N 3.38Å; I63-I69 HydrophobicContact CD1-CB 4.19Å; I63-I69 HydrophobicContact CD1-CD1 3.92Å; I63-I69 HydrophobicContact CD1-CG1 3.75Å; I63-I69 HydrophobicContact CD1-CG2 3.42Å; I63-I69 VanDerWaalsContact CD1-CG2 3.42Å; I63-I69 HydrophobicContact CG1-CD1 4.43Å; I63-I69 HydrophobicContact CG1-CG1 4.06Å; I63-I69 HydrophobicContact CG1-CG2 4.4Å; Y67-I69 HydrophobicContact CE1-CG2 4.34Å; I69-E73 WeakPolarHBondContact CA-OE2 3.34Å; I69-E73 HydrophobicContact CB-CB 4.12Å; I69-E73 VanDerWaalsContact CB-OE2 3.3Å; I69-E73 WeakPolarHBondContact CB-OE2 3.37Å; I69-E73 HydrophobicContact CD1-CB 4.2Å; I69-F75 HydrophobicContact CD1-CD1 3.36Å; I69-F75 HydrophobicContact CD1-CE1 3.77Å; I69-F75 HydrophobicContact CD1-CG 4.36Å; I69-F75 HydrophobicContact CG1-CD1 4.48Å; I69-C84 HydrophobicContact CD1-CB 3.56Å; I69-C84 HydrophobicContact CG1-CB 3.9Å |
| 70 | L | 91 | Very high | 87.6 | Confident | 97 Ų | 97 | 62.3 Ų | 62.3 | 51% | 0.508 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 161 | 179.3 | -59.5 | 175.4 | 0 | 0 | 0 | 111.8 | T59 G72 E73 C84 | T59-L70 WeakPolarHBondContact O-CA 3.36Å; L70-G72 PolarHBondContact O-N 2.85Å; L70-E73 HydrophobicContact CB-CG 3.94Å; L70-E73 PolarHBondContact N-OE2 2.98Å; L70-E73 VanDerWaalsContact O-CB 3.3Å; L70-E73 WeakPolarHBondContact O-CB 3.47Å; L70-E73 PolarHBondContact O-N 3.13Å; L70-E73 VanDerWaalsContact O-N 3.1Å; L70-C84 WeakPolarHBondContact O-CB 3.42Å |
| 71 | F | 90.9 | Very high | 88 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 23% | 0.232 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 137.9 | 170.6 | -69.9 | -49.2 | 0 | 0 | 0 | 112.6 | V58 T59 E73 C84 D85 R86 | V58-F71 HydrophobicContact CG1-CE1 4.44Å; V58-F71 HydrophobicContact CG1-CE2 3.43Å; V58-F71 VanDerWaalsContact CG1-CE2 3.43Å; V58-F71 HydrophobicContact CG1-CZ 3.2Å; V58-F71 WeakPolarHBondContact O-CE2 3.4Å; T59-F71 WeakPolarHBondContact O-CD2 3.42Å; T59-F71 PolarHBondContact O-N 2.92Å; F71-E73 PolarHBondContact O-N 2.79Å; F71-C84 WeakPolarHBondContact CA-O 3.36Å; F71-C84 WeakPolarHBondContact CD1-SG 3.41Å; F71-D85 WeakPolarHBondContact CE1-O 3.02Å; F71-R86 HydrophobicContact CD1-CB 4.32Å; F71-R86 HydrophobicContact CE1-CB 3.94Å; F71-R86 HydrophobicContact CE2-CB 4.12Å; F71-R86 HydrophobicContact CE2-CG 4.22Å; F71-R86 HydrophobicContact CZ-CB 3.78Å; F71-R86 HydrophobicContact CZ-CG 3.96Å |
| 72 | G | 92.4 | Very high | 88.3 | Confident | 48 Ų | 48 | 62.6 Ų | 62.6 | 50% | 0.495 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | -14.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L70 C84 | L70-G72 PolarHBondContact O-N 2.85Å; G72-C84 PolarHBondContact N-O 2.95Å |
| 73 | E | 94.3 | Very high | 88.8 | Confident | 87 Ų | 87 | 64.7 Ų | 64.7 | 41% | 0.407 | 38% | 0.383 | S | S | . | . | trans | -68.8 | 147.3 | 174.3 | -68.6 | -172.5 | 154.8 | 0 | 0 | 111.3 | I69 L70 F71 R83 C84 | I69-E73 WeakPolarHBondContact CA-OE2 3.34Å; I69-E73 HydrophobicContact CB-CB 4.12Å; I69-E73 VanDerWaalsContact CB-OE2 3.3Å; I69-E73 WeakPolarHBondContact CB-OE2 3.37Å; I69-E73 HydrophobicContact CD1-CB 4.2Å; L70-E73 HydrophobicContact CB-CG 3.94Å; L70-E73 PolarHBondContact N-OE2 2.98Å; L70-E73 VanDerWaalsContact O-CB 3.3Å; L70-E73 WeakPolarHBondContact O-CB 3.47Å; L70-E73 PolarHBondContact O-N 3.13Å; L70-E73 VanDerWaalsContact O-N 3.1Å; F71-E73 PolarHBondContact O-N 2.79Å; E73-R83 WeakPolarHBondContact O-CA 3.44Å; E73-C84 PolarHBondContact O-N 2.67Å | ||
| 74 | I | 94 | Very high | 89.3 | Confident | 100 Ų | 100 | 62.9 Ų | 62.9 | 51% | 0.513 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 138.2 | -176.3 | -63.6 | 171.7 | 0 | 0 | 0 | 108.5 | V81 Y82 R83 I97 | I74-V81 HydrophobicContact CG2-CG1 3.29Å; I74-Y82 CarbonylContact C-O 3.55Å; I74-Y82 WeakPolarHBondContact CA-O 3.43Å; I74-Y82 WeakPolarHBondContact CG2-O 3.24Å; I74-R83 HydrophobicContact CG1-CB 4.29Å; I74-R83 HydrophobicContact CG1-CG 4.13Å; I74-I97 HydrophobicContact CD1-CD1 3.74Å; I74-I97 HydrophobicContact CG1-CD1 3.92Å; I74-I97 HydrophobicContact CG2-CD1 4.17Å |
| 75 | F | 93.3 | Very high | 89.8 | Confident | 30 Ų | 30 | 60 Ų | 60 | 13% | 0.132 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 161.7 | 173.2 | 73.4 | -79.8 | 0 | 0 | 0 | 111.2 | I63 I69 A77 Y82 I94 | I63-F75 HydrophobicContact CB-CE2 4.47Å; I63-F75 HydrophobicContact CB-CZ 4.44Å; I63-F75 HydrophobicContact CD1-CB 4.14Å; I63-F75 HydrophobicContact CD1-CD1 3.53Å; I63-F75 HydrophobicContact CD1-CD2 3.68Å; I63-F75 HydrophobicContact CD1-CE1 3.67Å; I63-F75 HydrophobicContact CD1-CE2 3.86Å; I63-F75 HydrophobicContact CD1-CG 3.5Å; I63-F75 VanDerWaalsContact CD1-CG 3.5Å; I63-F75 HydrophobicContact CD1-CZ 3.84Å; I63-F75 HydrophobicContact CG1-CD1 4.23Å; I63-F75 HydrophobicContact CG1-CD2 4.44Å; I63-F75 HydrophobicContact CG1-CE1 3.84Å; I63-F75 HydrophobicContact CG1-CE2 4.11Å; I63-F75 HydrophobicContact CG1-CG 4.48Å; I63-F75 HydrophobicContact CG1-CZ 3.78Å; I63-F75 HydrophobicContact CG2-CD2 4.11Å; I63-F75 HydrophobicContact CG2-CE2 3.52Å; I63-F75 HydrophobicContact CG2-CZ 3.86Å; I69-F75 HydrophobicContact CD1-CD1 3.36Å; I69-F75 HydrophobicContact CD1-CE1 3.77Å; I69-F75 HydrophobicContact CD1-CG 4.36Å; I69-F75 HydrophobicContact CG1-CD1 4.48Å; F75-A77 HydrophobicContact CD2-CB 4.37Å; F75-A77 HydrophobicContact CE2-CB 4.07Å; F75-Y82 HydrophobicContact CD2-CD2 4.27Å; F75-Y82 VanDerWaalsContact CE1-CB 3.43Å; F75-Y82 HydrophobicContact CE1-CG 4.18Å; F75-Y82 AromaticContact CE2-CD2 3.81Å; F75-Y82 HydrophobicContact CE2-CD2 3.81Å; F75-Y82 HydrophobicContact CE2-CG 4.2Å; F75-Y82 AromaticContact CZ-CD2 3.97Å; F75-Y82 HydrophobicContact CZ-CD2 3.97Å; F75-Y82 AromaticContact CZ-CG 3.86Å; F75-Y82 HydrophobicContact CZ-CG 3.86Å; F75-Y82 PolarHBondContact N-O 3.06Å; F75-Y82 PolarHBondContact O-N 3.25Å; F75-I94 HydrophobicContact CE1-CG2 4.01Å; F75-I94 HydrophobicContact CZ-CD1 4.38Å; F75-I94 HydrophobicContact CZ-CG2 3.87Å |
| 76 | K | 92.9 | Very high | 90.4 | Very high | 114 Ų | 114 | 60.2 Ų | 60.2 | 50% | 0.496 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.4 | 178.1 | -62.6 | 178.4 | -177.5 | 178.6 | 0 | 109.6 | V81 V100 E105 | K76-V81 HydrophobicContact CG-CG2 4.45Å; K76-V100 HydrophobicContact CD-CG2 4.28Å; K76-V100 HydrophobicContact CG-CG2 4.41Å; K76-E105 WeakPolarHBondContact CE-OE1 3.32Å; K76-E105 IonicContact NZ-OE1 2.98Å; K76-E105 PolarHBondContact NZ-OE1 2.77Å |
| 77 | A | 89.7 | Confident | 90.7 | Very high | 44 Ų | 44 | 57.6 Ų | 57.6 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 119.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110 | F75 E79 F80 Y82 | F75-A77 HydrophobicContact CD2-CB 4.37Å; F75-A77 HydrophobicContact CE2-CB 4.07Å; A77-E79 PolarHBondContact O-N 2.03Å; A77-F80 PolarHBondContact N-O 2.94Å; A77-F80 VanDerWaalsContact N-O 3.12Å; A77-F80 PolarHBondContact O-N 2.76Å; A77-Y82 HydrophobicContact CB-CD2 4.25Å; A77-Y82 HydrophobicContact CB-CE2 3.71Å; A77-Y82 WeakPolarHBondContact O-CE2 3.41Å |
| 78 | G | 87.7 | Confident | 90.6 | Very high | 78 Ų | 78 | 53.7 Ų | 53.7 | 80% | 0.804 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | -126.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F80 | G78-F80 VanDerWaalsContact C-N 3.35Š|
| 79 | E | 88.3 | Confident | 90.4 | Very high | 42 Ų | 42 | 57.6 Ų | 57.6 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 13.2 | -176.1 | -61 | -178.4 | 159.9 | 0 | 0 | 113.4 | Y35 T37 A77 C99 V100 | Y35-E79 VanDerWaalsContact CE2-OE1 3.28Å; Y35-E79 WeakPolarHBondContact CE2-OE1 3.48Å; Y35-E79 PolarHBondContact OH-OE1 3.18Å; T37-E79 VanDerWaalsContact CB-OE2 3.31Å; T37-E79 WeakPolarHBondContact CB-OE2 3.37Å; T37-E79 WeakPolarHBondContact CG2-OE2 3.48Å; T37-E79 PolarHBondContact OG1-OE2 2.76Å; A77-E79 PolarHBondContact O-N 2.03Å; E79-C99 CarbonylContact O-C 3.5Å; E79-C99 VanDerWaalsContact O-CA 3.28Å; E79-C99 WeakPolarHBondContact O-CA 3.28Å; E79-V100 PolarHBondContact O-N 3.08Å |
| 80 | F | 93.9 | Very high | 89.8 | Confident | 11 Ų | 11 | 62.6 Ų | 62.6 | 5% | 0.048 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 151.5 | -173.2 | -62.3 | -82.8 | 0 | 0 | 0 | 112.8 | I39 A77 G78 Y82 G98 L128 F130 | I39-F80 HydrophobicContact CB-CD2 4.3Å; I39-F80 HydrophobicContact CB-CE2 4.07Å; I39-F80 HydrophobicContact CB-CZ 4.31Å; I39-F80 HydrophobicContact CG2-CD1 3.87Å; I39-F80 HydrophobicContact CG2-CD2 3.88Å; I39-F80 HydrophobicContact CG2-CE1 3.89Å; I39-F80 HydrophobicContact CG2-CE2 3.92Å; I39-F80 HydrophobicContact CG2-CG 3.87Å; I39-F80 HydrophobicContact CG2-CZ 3.92Å; A77-F80 PolarHBondContact N-O 2.94Å; A77-F80 VanDerWaalsContact N-O 3.12Å; A77-F80 PolarHBondContact O-N 2.76Å; G78-F80 VanDerWaalsContact C-N 3.35Å; F80-Y82 HydrophobicContact CB-CD2 4.49Å; F80-Y82 HydrophobicContact CB-CE1 4.25Å; F80-Y82 HydrophobicContact CB-CE2 3.65Å; F80-Y82 WeakPolarHBondContact CB-OH 3.37Å; F80-Y82 WeakPolarHBondContact O-CE2 3.49Å; F80-G98 WeakPolarHBondContact CA-O 3.37Å; F80-L128 HydrophobicContact CD1-CD2 4.31Å; F80-L128 HydrophobicContact CE1-CB 4.39Å; F80-L128 HydrophobicContact CE1-CG 4.45Å; F80-L128 WeakPolarHBondContact CE1-O 3.21Å; F80-F130 HydrophobicContact CE1-CB 4.34Å; F80-F130 HydrophobicContact CZ-CB 4.28Å |
| 81 | V | 95.1 | Very high | 89.3 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.024 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 130.2 | 172 | -173.6 | 0 | 0 | 0 | 0 | 107.7 | I74 K76 I97 G98 V100 E105 | I74-V81 HydrophobicContact CG2-CG1 3.29Å; K76-V81 HydrophobicContact CG-CG2 4.45Å; V81-I97 HydrophobicContact CB-CG1 4.25Å; V81-I97 HydrophobicContact CG1-CD1 4Å; V81-I97 HydrophobicContact CG1-CG1 3.91Å; V81-I97 WeakPolarHBondContact O-CG1 3.41Å; V81-I97 PolarHBondContact O-N 3Å; V81-G98 PolarHBondContact N-O 3.28Å; V81-G98 PolarHBondContact O-N 3Å; V81-V100 HydrophobicContact CG2-CG2 3.45Å; V81-V100 VanDerWaalsContact CG2-CG2 3.45Å; V81-E105 HydrophobicContact CG2-CG 4.06Å |
| 82 | Y | 93.6 | Very high | 89.1 | Confident | 20 Ų | 20 | 58.1 Ų | 58.1 | 8% | 0.078 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 151 | -176.5 | -56.9 | -90.5 | 0 | 0 | 0 | 111.1 | I39 I74 F75 A77 F80 I94 V95 P96 | I39-Y82 HydrophobicContact CD1-CE1 3.94Å; I39-Y82 WeakPolarHBondContact CD1-OH 3.32Å; I74-Y82 CarbonylContact C-O 3.55Å; I74-Y82 WeakPolarHBondContact CA-O 3.43Å; I74-Y82 WeakPolarHBondContact CG2-O 3.24Å; F75-Y82 HydrophobicContact CD2-CD2 4.27Å; F75-Y82 VanDerWaalsContact CE1-CB 3.43Å; F75-Y82 HydrophobicContact CE1-CG 4.18Å; F75-Y82 AromaticContact CE2-CD2 3.81Å; F75-Y82 HydrophobicContact CE2-CD2 3.81Å; F75-Y82 HydrophobicContact CE2-CG 4.2Å; F75-Y82 AromaticContact CZ-CD2 3.97Å; F75-Y82 HydrophobicContact CZ-CD2 3.97Å; F75-Y82 AromaticContact CZ-CG 3.86Å; F75-Y82 HydrophobicContact CZ-CG 3.86Å; F75-Y82 PolarHBondContact N-O 3.06Å; F75-Y82 PolarHBondContact O-N 3.25Å; A77-Y82 HydrophobicContact CB-CD2 4.25Å; A77-Y82 HydrophobicContact CB-CE2 3.71Å; A77-Y82 WeakPolarHBondContact O-CE2 3.41Å; F80-Y82 HydrophobicContact CB-CD2 4.49Å; F80-Y82 HydrophobicContact CB-CE1 4.25Å; F80-Y82 HydrophobicContact CB-CE2 3.65Å; F80-Y82 WeakPolarHBondContact CB-OH 3.37Å; F80-Y82 WeakPolarHBondContact O-CE2 3.49Å; Y82-I94 HydrophobicContact CD1-CG2 3.63Å; Y82-I94 HydrophobicContact CG-CG2 3.96Å; Y82-V95 CarbonylContact C-O 3.55Å; Y82-V95 VanDerWaalsContact CA-O 3.31Å; Y82-V95 WeakPolarHBondContact CA-O 3.44Å; Y82-P96 HydrophobicContact CD1-CB 4.2Å; Y82-P96 HydrophobicContact CE1-CB 4.19Å |
| 83 | R | 94.3 | Very high | 88.8 | Confident | 94 Ų | 94 | 61 Ų | 61 | 36% | 0.355 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 139.6 | 169.6 | -168.9 | 175.5 | 65.1 | -155.4 | -5.7 | 110.3 | E73 I74 D85 V95 I97 | E73-R83 WeakPolarHBondContact O-CA 3.44Å; I74-R83 HydrophobicContact CG1-CB 4.29Å; I74-R83 HydrophobicContact CG1-CG 4.13Å; R83-D85 WeakPolarHBondContact CG-OD1 3.29Å; R83-D85 IonicContact CZ-OD1 3.36Å; R83-D85 IonicContact CZ-OD2 3.54Å; R83-D85 IonicContact NE-OD1 2.8Å; R83-D85 PolarHBondContact NE-OD1 3.47Å; R83-D85 IonicContact NE-OD2 2.74Å; R83-D85 PolarHBondContact NE-OD2 3Å; R83-D85 IonicContact NH2-OD1 2.69Å; R83-D85 IonicContact NH2-OD2 3.44Å; R83-D85 PolarHBondContact NH2-OD2 3.36Å; R83-D85 PolarHBondContact O-N 3.03Å; R83-V95 PolarHBondContact N-O 3.48Å; R83-V95 PolarHBondContact O-N 3.01Å; R83-I97 HydrophobicContact CB-CD1 4.01Å; R83-I97 HydrophobicContact CB-CG1 4.27Å; R83-I97 HydrophobicContact CB-CG2 3.78Å |
| 84 | C | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 113.8 | 170.2 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | C61 I69 L70 F71 G72 E73 | C61-C84 VanDerWaalsContact CA-SG 3.56Å; C61-C84 HydrophobicContact CB-CB 3.68Å; C61-C84 WeakPolarHBondContact CB-SG 3.41Å; C61-C84 PolarHBondContact N-SG 3.01Å; C61-C84 WeakPolarHBondContact SG-CA 3.28Å; C61-C84 WeakPolarHBondContact SG-CB 3.35Å; C61-C84 CovalentContact SG-SG 2.02Å; C61-C84 PolarHBondContact SG-SG 3.07Å; I69-C84 HydrophobicContact CD1-CB 3.56Å; I69-C84 HydrophobicContact CG1-CB 3.9Å; L70-C84 WeakPolarHBondContact O-CB 3.42Å; F71-C84 WeakPolarHBondContact CA-O 3.36Å; F71-C84 WeakPolarHBondContact CD1-SG 3.41Å; G72-C84 PolarHBondContact N-O 2.95Å; E73-C84 PolarHBondContact O-N 2.67Å |
| 85 | D | 91.9 | Very high | 88.4 | Confident | 41 Ų | 41 | 54 Ų | 54 | 22% | 0.219 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 150.9 | 179.1 | -73.4 | -7.6 | 0 | 0 | 0 | 111.5 | F71 R83 G87 R93 V95 | F71-D85 WeakPolarHBondContact CE1-O 3.02Å; R83-D85 WeakPolarHBondContact CG-OD1 3.29Å; R83-D85 IonicContact CZ-OD1 3.36Å; R83-D85 IonicContact CZ-OD2 3.54Å; R83-D85 IonicContact NE-OD1 2.8Å; R83-D85 PolarHBondContact NE-OD1 3.47Å; R83-D85 IonicContact NE-OD2 2.74Å; R83-D85 PolarHBondContact NE-OD2 3Å; R83-D85 IonicContact NH2-OD1 2.69Å; R83-D85 IonicContact NH2-OD2 3.44Å; R83-D85 PolarHBondContact NH2-OD2 3.36Å; R83-D85 PolarHBondContact O-N 3.03Å; D85-G87 PolarHBondContact O-N 2.83Å; D85-R93 PolarHBondContact N-O 3.36Å; D85-R93 PolarHBondContact O-N 2.8Å; D85-V95 HydrophobicContact CB-CG2 4.02Å |
| 86 | R | 89 | Confident | 88.4 | Confident | 127 Ų | 127 | 53.2 Ų | 53.2 | 48% | 0.479 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 118.5 | 171 | -172 | 177.3 | -76.1 | -155.8 | -7.5 | 108.5 | E57 V58 F71 T88 | E57-R86 IonicContact OE1-CZ 3.13Å; E57-R86 IonicContact OE1-NH1 2.83Å; E57-R86 PolarHBondContact OE1-NH1 2.04Å; E57-R86 IonicContact OE1-NH2 2.88Å; E57-R86 PolarHBondContact OE1-NH2 3.13Å; V58-R86 PolarHBondContact O-NH2 2.96Å; F71-R86 HydrophobicContact CD1-CB 4.32Å; F71-R86 HydrophobicContact CE1-CB 3.94Å; F71-R86 HydrophobicContact CE2-CB 4.12Å; F71-R86 HydrophobicContact CE2-CG 4.22Å; F71-R86 HydrophobicContact CZ-CB 3.78Å; F71-R86 HydrophobicContact CZ-CG 3.96Å; R86-T88 WeakPolarHBondContact CG-O 3.04Å |
| 87 | G | 84.7 | Confident | 88.5 | Confident | 17 Ų | 17 | 49.8 Ų | 49.8 | 18% | 0.175 | 26% | 0.257 | C | S | . | . | trans | -86.4 | -52.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D85 M91 | D85-G87 PolarHBondContact O-N 2.83Å; G87-M91 PolarHBondContact N-O 2.76Å | ||
| 88 | T | 81.9 | Confident | 88.8 | Confident | 58 Ų | 58 | 47.9 Ų | 47.9 | 36% | 0.356 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -143.2 | -176.9 | 171.5 | 66.6 | 0 | 0 | 0 | 0 | 107.5 | R86 Y90 M91 | R86-T88 WeakPolarHBondContact CG-O 3.04Å; T88-Y90 PolarHBondContact O-N 2.83Å; T88-Y90 PolarHBondContact OG1-N 2.89Å; T88-M91 HydrophobicContact CG2-SD 3.93Å; T88-M91 PolarHBondContact N-O 3.43Å; T88-M91 PolarHBondContact O-N 3.42Å; T88-M91 WeakPolarHBondContact OG1-CA 3Å; T88-M91 PolarHBondContact OG1-N 3.01Å; T88-M91 PolarHBondContact OG1-SD 3.3Å |
| 89 | E | 78.5 | Confident | 89.2 | Confident | 131 Ų | 131 | 44.1 Ų | 44.1 | 61% | 0.612 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -56 | -31.8 | 174.1 | -165.6 | -174.6 | 141.6 | 0 | 0 | 112.5 | V58 | V58-E89 WeakPolarHBondContact CG2-O 3.37Š|
| 90 | Y | 77 | Confident | 89.5 | Confident | 119 Ų | 119 | 43.3 Ų | 43.3 | 47% | 0.467 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -108.4 | -19.1 | -179.7 | -47.1 | -59.2 | 0 | 0 | 0 | 112.5 | K46 T88 | K46-Y90 PolarHBondContact NZ-O 2.86Å; T88-Y90 PolarHBondContact O-N 2.83Å; T88-Y90 PolarHBondContact OG1-N 2.89Å |
| 91 | M | 80.4 | Confident | 89.5 | Confident | 52 Ų | 52 | 43.9 Ų | 43.9 | 26% | 0.256 | 20% | 0.203 | S | C | . | . | trans | -78.8 | 126.1 | 177.2 | 43 | 70.6 | 174 | 0 | 0 | 115.8 | Y45 K46 G87 T88 | Y45-M91 HydrophobicContact CD1-CG 4.08Å; Y45-M91 HydrophobicContact CE1-CE 3.57Å; Y45-M91 HydrophobicContact CE1-CG 3.82Å; Y45-M91 HydrophobicContact CE1-SD 4.43Å; K46-M91 VanDerWaalsContact NZ-C 3.29Å; G87-M91 PolarHBondContact N-O 2.76Å; T88-M91 HydrophobicContact CG2-SD 3.93Å; T88-M91 PolarHBondContact N-O 3.43Å; T88-M91 PolarHBondContact O-N 3.42Å; T88-M91 WeakPolarHBondContact OG1-CA 3Å; T88-M91 PolarHBondContact OG1-N 3.01Å; T88-M91 PolarHBondContact OG1-SD 3.3Å | ||
| 92 | S | 85.9 | Confident | 89.3 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.028 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 154.9 | 153.5 | 46.4 | 0 | 0 | 0 | 0 | 109.9 | G60 | G60-S92 VanDerWaalsContact O-CB 3.25Å; G60-S92 WeakPolarHBondContact O-CB 3.45Å; G60-S92 PolarHBondContact O-OG 2.86Å; G60-S92 VanDerWaalsContact O-OG 3.1Å |
| 93 | R | 87.2 | Confident | 89.3 | Confident | 109 Ų | 109 | 53.4 Ų | 53.4 | 41% | 0.411 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 133.1 | -178.9 | -69.7 | -179.5 | -174.4 | 169.5 | 6.1 | 109.3 | C61 D85 V95 | C61-R93 PolarHBondContact SG-O 3.48Å; D85-R93 PolarHBondContact N-O 3.36Å; D85-R93 PolarHBondContact O-N 2.8Å; R93-V95 HydrophobicContact CB-CG2 4.09Å |
| 94 | I | 89.1 | Confident | 89.3 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 8% | 0.077 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 112.1 | 167.8 | -63.4 | 177 | 0 | 0 | 0 | 106.5 | T42 C61 F75 Y82 | T42-I94 PolarHBondContact O-N 3.46Å; C61-I94 HydrophobicContact CB-CD1 4.3Å; C61-I94 HydrophobicContact CB-CG1 3.9Å; F75-I94 HydrophobicContact CE1-CG2 4.01Å; F75-I94 HydrophobicContact CZ-CD1 4.38Å; F75-I94 HydrophobicContact CZ-CG2 3.87Å; Y82-I94 HydrophobicContact CD1-CG2 3.63Å; Y82-I94 HydrophobicContact CG-CG2 3.96Å |
| 95 | V | 91 | Very high | 89.5 | Confident | 24 Ų | 24 | 57.4 Ų | 57.4 | 15% | 0.145 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 123.3 | -174.5 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | Y82 R83 D85 R93 I97 | Y82-V95 CarbonylContact C-O 3.55Å; Y82-V95 VanDerWaalsContact CA-O 3.31Å; Y82-V95 WeakPolarHBondContact CA-O 3.44Å; R83-V95 PolarHBondContact N-O 3.48Å; R83-V95 PolarHBondContact O-N 3.01Å; D85-V95 HydrophobicContact CB-CG2 4.02Å; R93-V95 HydrophobicContact CB-CG2 4.09Å; V95-I97 HydrophobicContact CG1-CG2 4.29Å; V95-I97 PolarHBondContact O-N 3.39Å |
| 96 | P | 92.6 | Very high | 89.7 | Confident | 14 Ų | 14 | 56 Ų | 56 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 121.2 | 170.5 | 29.5 | -32.3 | 0 | 0 | 0 | 109.2 | I39 Y82 L128 | I39-P96 HydrophobicContact CG2-CB 4.09Å; I39-P96 HydrophobicContact CG2-CG 4.35Å; Y82-P96 HydrophobicContact CD1-CB 4.2Å; Y82-P96 HydrophobicContact CE1-CB 4.19Å; P96-L128 HydrophobicContact CB-CB 4Å; P96-L128 HydrophobicContact CB-CD2 4.03Å; P96-L128 HydrophobicContact CG-CB 4.11Å |
| 97 | I | 95.2 | Very high | 90.1 | Very high | 41 Ų | 41 | 57.1 Ų | 57.1 | 21% | 0.21 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | -5.6 | -176 | 59.3 | 156.2 | 0 | 0 | 0 | 113.6 | I74 V81 R83 V95 P108 | I74-I97 HydrophobicContact CD1-CD1 3.74Å; I74-I97 HydrophobicContact CG1-CD1 3.92Å; I74-I97 HydrophobicContact CG2-CD1 4.17Å; V81-I97 HydrophobicContact CB-CG1 4.25Å; V81-I97 HydrophobicContact CG1-CD1 4Å; V81-I97 HydrophobicContact CG1-CG1 3.91Å; V81-I97 WeakPolarHBondContact O-CG1 3.41Å; V81-I97 PolarHBondContact O-N 3Å; R83-I97 HydrophobicContact CB-CD1 4.01Å; R83-I97 HydrophobicContact CB-CG1 4.27Å; R83-I97 HydrophobicContact CB-CG2 3.78Å; V95-I97 HydrophobicContact CG1-CG2 4.29Å; V95-I97 PolarHBondContact O-N 3.39Å; I97-P108 WeakPolarHBondContact O-CD 3.09Å |
| 98 | G | 95.9 | Very high | 90.7 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.3 | 174 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | F80 V81 L106 L128 | F80-G98 WeakPolarHBondContact CA-O 3.37Å; V81-G98 PolarHBondContact N-O 3.28Å; V81-G98 PolarHBondContact O-N 3Å; G98-L106 CarbonylContact C-O 3.57Å; G98-L106 WeakPolarHBondContact CA-O 3.46Å; G98-L128 WeakPolarHBondContact O-CD2 3.49Å |
| 99 | C | 96.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 156.6 | 176.1 | -54.7 | 0 | 0 | 0 | 0 | 109.6 | E79 E105 L106 C121 F130 | E79-C99 CarbonylContact O-C 3.5Å; E79-C99 VanDerWaalsContact O-CA 3.28Å; E79-C99 WeakPolarHBondContact O-CA 3.28Å; C99-E105 CarbonylContact O-C 3.57Å; C99-E105 WeakPolarHBondContact O-CA 3Å; C99-L106 HydrophobicContact CB-CB 4.39Å; C99-L106 PolarHBondContact N-O 3.08Å; C99-L106 PolarHBondContact O-N 3.3Å; C99-C121 HydrophobicContact CB-CB 3.65Å; C99-C121 WeakPolarHBondContact CB-SG 3.29Å; C99-C121 PolarHBondContact N-SG 3.2Å; C99-C121 WeakPolarHBondContact SG-CA 3.31Å; C99-C121 WeakPolarHBondContact SG-CB 3.15Å; C99-C121 CovalentContact SG-SG 2.05Å; C99-C121 PolarHBondContact SG-SG 2.92Å; C99-F130 HydrophobicContact CB-CB 4.29Å; C99-F130 HydrophobicContact CB-CD2 3.84Å; C99-F130 HydrophobicContact CB-CG 4.26Å |
| 100 | V | 94.7 | Very high | 92.2 | Very high | 24 Ų | 24 | 55.5 Ų | 55.5 | 15% | 0.145 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 119.7 | 175.2 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | K76 E79 V81 T104 E105 | K76-V100 HydrophobicContact CD-CG2 4.28Å; K76-V100 HydrophobicContact CG-CG2 4.41Å; E79-V100 PolarHBondContact O-N 3.08Å; V81-V100 HydrophobicContact CG2-CG2 3.45Å; V81-V100 VanDerWaalsContact CG2-CG2 3.45Å; V100-T104 WeakPolarHBondContact CA-O 3.3Å; V100-E105 HydrophobicContact CG2-CG 4.44Å |
| 101 | F | 93.8 | Very high | 93.1 | Very high | 23 Ų | 23 | 55.7 Ų | 55.7 | 10% | 0.101 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 118.4 | 176 | -176.1 | -115.2 | 0 | 0 | 0 | 111.2 | G103 T104 L106 L112 H114 Y119 F130 | F101-G103 PolarHBondContact O-N 2.69Å; F101-G103 VanDerWaalsContact O-N 3.12Å; F101-T104 PolarHBondContact N-O 3.43Å; F101-T104 WeakPolarHBondContact O-CB 3.29Å; F101-T104 PolarHBondContact O-N 2.96Å; F101-L106 HydrophobicContact CB-CD1 4.17Å; F101-L112 HydrophobicContact CD1-CD2 3.81Å; F101-H114 HydrophobicContact CE1-CB 3.68Å; F101-H114 AromaticContact CE1-CD2 3.95Å; F101-H114 AromaticContact CE1-CG 3.78Å; F101-H114 HydrophobicContact CZ-CB 4.19Å; F101-H114 AromaticContact CZ-CD2 3.75Å; F101-Y119 AromaticContact CE1-CD2 3.85Å; F101-Y119 HydrophobicContact CE1-CD2 3.85Å; F101-Y119 HydrophobicContact CE1-CE2 4.17Å; F101-Y119 HydrophobicContact CE1-CG 4.23Å; F101-Y119 HydrophobicContact CE2-CD1 4.4Å; F101-Y119 HydrophobicContact CE2-CE1 4.42Å; F101-Y119 HydrophobicContact CE2-CG 4.48Å; F101-Y119 HydrophobicContact CZ-CD1 4.36Å; F101-Y119 AromaticContact CZ-CD2 3.84Å; F101-Y119 HydrophobicContact CZ-CD2 3.84Å; F101-Y119 HydrophobicContact CZ-CE1 4.31Å; F101-Y119 AromaticContact CZ-CE2 3.8Å; F101-Y119 HydrophobicContact CZ-CE2 3.8Å; F101-Y119 HydrophobicContact CZ-CG 4.12Å; F101-F130 HydrophobicContact CB-CE1 4.2Å; F101-F130 HydrophobicContact CB-CE2 3.95Å; F101-F130 HydrophobicContact CB-CZ 3.51Å; F101-F130 HydrophobicContact CD1-CZ 4.39Å; F101-F130 AromaticContact CD2-CE1 3.42Å; F101-F130 HydrophobicContact CD2-CE1 3.42Å; F101-F130 VanDerWaalsContact CD2-CE1 3.42Å; F101-F130 HydrophobicContact CD2-CE2 4.36Å; F101-F130 AromaticContact CD2-CZ 3.18Å; F101-F130 HydrophobicContact CD2-CZ 3.18Å; F101-F130 HydrophobicContact CE2-CE1 4.07Å; F101-F130 AromaticContact CE2-CZ 3.9Å; F101-F130 HydrophobicContact CE2-CZ 3.9Å; F101-F130 HydrophobicContact CG-CE1 4.1Å; F101-F130 HydrophobicContact CG-CE2 4.27Å; F101-F130 AromaticContact CG-CZ 3.44Å; F101-F130 HydrophobicContact CG-CZ 3.44Å; F101-F130 VanDerWaalsContact CG-CZ 3.44Å |
| 102 | R | 90.5 | Very high | 93.8 | Very high | 164 Ų | 164 | 55.8 Ų | 55.8 | 62% | 0.619 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 37.9 | -178.5 | -59.5 | -175.7 | 66.4 | 115.8 | 14.4 | 113.3 | T104 H114 | R102-T104 VanDerWaalsContact C-N 3.3Å; R102-T104 PolarHBondContact O-N 2.82Å; R102-H114 PolarHBondContact NH1-CE1 2.87Å; R102-H114 PolarHBondContact NH1-NE2 3.03Å |
| 103 | G | 92.4 | Very high | 94.2 | Very high | 61 Ų | 61 | 58.6 Ų | 58.6 | 63% | 0.629 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -9.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F101 | F101-G103 PolarHBondContact O-N 2.69Å; F101-G103 VanDerWaalsContact O-N 3.12Å |
| 104 | T | 95.3 | Very high | 94.5 | Very high | 70 Ų | 70 | 56.7 Ų | 56.7 | 43% | 0.429 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 127.9 | 174.6 | -54.1 | 0 | 0 | 0 | 0 | 110.5 | V100 F101 R102 L106 L112 | V100-T104 WeakPolarHBondContact CA-O 3.3Å; F101-T104 PolarHBondContact N-O 3.43Å; F101-T104 WeakPolarHBondContact O-CB 3.29Å; F101-T104 PolarHBondContact O-N 2.96Å; R102-T104 VanDerWaalsContact C-N 3.3Å; R102-T104 PolarHBondContact O-N 2.82Å; T104-L106 HydrophobicContact CG2-CD2 4.28Å; T104-L112 HydrophobicContact CG2-CD2 4.39Å |
| 105 | E | 95.8 | Very high | 94.6 | Very high | 108 Ų | 108 | 58.7 Ų | 58.7 | 51% | 0.505 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 132.8 | 171.7 | -69 | 176.5 | -147.5 | 0 | 0 | 110.5 | K76 V81 C99 V100 | K76-E105 WeakPolarHBondContact CE-OE1 3.32Å; K76-E105 IonicContact NZ-OE1 2.98Å; K76-E105 PolarHBondContact NZ-OE1 2.77Å; V81-E105 HydrophobicContact CG2-CG 4.06Å; C99-E105 CarbonylContact O-C 3.57Å; C99-E105 WeakPolarHBondContact O-CA 3Å; V100-E105 HydrophobicContact CG2-CG 4.44Å |
| 106 | L | 96.9 | Very high | 94.6 | Very high | 11 Ų | 11 | 58.8 Ų | 58.8 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125.1 | 178.6 | -59.5 | 178.4 | 0 | 0 | 0 | 108.7 | G98 C99 F101 T104 D110 L112 C121 F130 | G98-L106 CarbonylContact C-O 3.57Å; G98-L106 WeakPolarHBondContact CA-O 3.46Å; C99-L106 HydrophobicContact CB-CB 4.39Å; C99-L106 PolarHBondContact N-O 3.08Å; C99-L106 PolarHBondContact O-N 3.3Å; F101-L106 HydrophobicContact CB-CD1 4.17Å; T104-L106 HydrophobicContact CG2-CD2 4.28Å; L106-D110 HydrophobicContact CB-CB 4.05Å; L106-D110 HydrophobicContact CD2-CB 4.17Å; L106-L112 HydrophobicContact CD1-CB 4.45Å; L106-L112 HydrophobicContact CD2-CB 4.11Å; L106-L112 HydrophobicContact CD2-CD2 4.31Å; L106-C121 HydrophobicContact CB-CB 4.07Å; L106-F130 HydrophobicContact CD1-CE2 3.9Å |
| 107 | K | 97.1 | Very high | 94.7 | Very high | 151 Ų | 151 | 58.2 Ų | 58.2 | 66% | 0.657 | 33% | 0.332 | S | S | * | . | trans | -72.2 | 159.5 | 169.6 | -61.6 | 177.9 | -178.2 | 177.5 | 0 | 110.1 | G109 D110 | K107-G109 PolarHBondContact O-N 3.44Å; K107-D110 WeakPolarHBondContact CB-OD2 3.41Å; K107-D110 PolarHBondContact N-OD2 2.98Å; K107-D110 VanDerWaalsContact O-CB 3.24Å; K107-D110 WeakPolarHBondContact O-CB 3.48Å; K107-D110 PolarHBondContact O-N 3.13Å | ||
| 108 | P | 96 | Very high | 94.7 | Very high | 62 Ų | 62 | 56.3 Ų | 56.3 | 40% | 0.403 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 123.9 | 173.5 | -24.4 | 35.3 | 0 | 0 | 0 | 110.6 | I97 C121 P123 L128 | I97-P108 WeakPolarHBondContact O-CD 3.09Å; P108-C121 CarbonylContact C-O 3.46Å; P108-C121 WeakPolarHBondContact CA-O 3.5Å; P108-P123 HydrophobicContact CB-CB 4.27Å; P108-P123 HydrophobicContact CB-CG 4.18Å; P108-L128 HydrophobicContact CB-CD1 4.08Å; P108-L128 HydrophobicContact CG-CD1 4.04Å |
| 109 | G | 95.3 | Very high | 94.7 | Very high | 45 Ų | 45 | 56.7 Ų | 56.7 | 46% | 0.464 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | -15.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | K107 C121 | K107-G109 PolarHBondContact O-N 3.44Å; G109-C121 PolarHBondContact N-O 2.83Å |
| 110 | D | 97.2 | Very high | 94.7 | Very high | 65 Ų | 65 | 57 Ų | 57 | 35% | 0.348 | 32% | 0.324 | S | S | . | . | trans | -62.9 | 148.2 | 176 | -73.1 | -6.8 | 0 | 0 | 0 | 110.4 | L106 K107 S120 C121 | L106-D110 HydrophobicContact CB-CB 4.05Å; L106-D110 HydrophobicContact CD2-CB 4.17Å; K107-D110 WeakPolarHBondContact CB-OD2 3.41Å; K107-D110 PolarHBondContact N-OD2 2.98Å; K107-D110 VanDerWaalsContact O-CB 3.24Å; K107-D110 WeakPolarHBondContact O-CB 3.48Å; K107-D110 PolarHBondContact O-N 3.13Å; D110-S120 VanDerWaalsContact O-CA 3.26Å; D110-S120 WeakPolarHBondContact O-CA 3.43Å; D110-S120 WeakPolarHBondContact O-CB 3.29Å; D110-S120 PolarHBondContact O-OG 3.44Å; D110-C121 PolarHBondContact O-N 3.45Å | ||
| 111 | R | 95.5 | Very high | 94.7 | Very high | 122 Ų | 122 | 55.9 Ų | 55.9 | 46% | 0.46 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 139.7 | -178.9 | -61.1 | 173.3 | 74.6 | 92.1 | -4.4 | 109.7 | V118 Y119 E142 | R111-V118 HydrophobicContact CB-CG1 3.99Å; R111-Y119 CarbonylContact C-O 3.57Å; R111-Y119 VanDerWaalsContact CA-O 3.25Å; R111-Y119 WeakPolarHBondContact CA-O 3.38Å; R111-E142 IonicContact CZ-OE2 2.62Å; R111-E142 IonicContact NE-OE2 2.82Å; R111-E142 PolarHBondContact NE-OE2 3.07Å; R111-E142 IonicContact NH2-OE2 3.56Å; R111-E142 PolarHBondContact NH2-OE2 3.01Å |
| 112 | L | 95.4 | Very high | 94.7 | Very high | 55 Ų | 55 | 56.2 Ų | 56.2 | 29% | 0.288 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 122.4 | 179.1 | -178.5 | 59.5 | 0 | 0 | 0 | 110.5 | F101 T104 L106 Y119 | F101-L112 HydrophobicContact CD1-CD2 3.81Å; T104-L112 HydrophobicContact CG2-CD2 4.39Å; L106-L112 HydrophobicContact CD1-CB 4.45Å; L106-L112 HydrophobicContact CD2-CB 4.11Å; L106-L112 HydrophobicContact CD2-CD2 4.31Å; L112-Y119 PolarHBondContact N-O 2.98Å; L112-Y119 PolarHBondContact O-N 3.49Å |
| 113 | A | 95.1 | Very high | 94.9 | Very high | 63 Ų | 63 | 52 Ų | 52 | 52% | 0.521 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 127 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I136 | A113-I136 HydrophobicContact CB-CD1 3.58Å |
| 114 | H | 93.7 | Very high | 94.7 | Very high | 68 Ų | 68 | 54.4 Ų | 54.4 | 32% | 0.315 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 122.3 | 174.5 | -176.8 | 76.5 | 0 | 0 | 0 | 111.7 | F101 R102 F117 Y119 | F101-H114 HydrophobicContact CE1-CB 3.68Å; F101-H114 AromaticContact CE1-CD2 3.95Å; F101-H114 AromaticContact CE1-CG 3.78Å; F101-H114 HydrophobicContact CZ-CB 4.19Å; F101-H114 AromaticContact CZ-CD2 3.75Å; R102-H114 PolarHBondContact NH1-CE1 2.87Å; R102-H114 PolarHBondContact NH1-NE2 3.03Å; H114-F117 PolarHBondContact N-O 3.42Å; H114-F117 PolarHBondContact O-N 2.88Å; H114-F117 VanDerWaalsContact O-O 3.1Å; H114-Y119 HydrophobicContact CB-CD2 3.9Å; H114-Y119 HydrophobicContact CB-CE2 3.73Å; H114-Y119 WeakPolarHBondContact O-CE2 3.38Å |
| 115 | G | 90.7 | Very high | 94.2 | Very high | 57 Ų | 57 | 61 Ų | 61 | 59% | 0.588 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | -131.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | F117 | G115-F117 VanDerWaalsContact C-N 3.32Å; G115-F117 PolarHBondContact O-N 2.77Å |
| 116 | P | 90.8 | Very high | 93.5 | Very high | 27 Ų | 27 | 62.8 Ų | 62.8 | 18% | 0.175 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 12.1 | -179 | 30.6 | -23.9 | 0 | 0 | 0 | 113.9 | S32 C135 I136 Q167 | S32-P116 WeakPolarHBondContact OG-CG 3.43Å; P116-C135 CarbonylContact O-C 3.58Å; P116-C135 WeakPolarHBondContact O-CA 3.1Å; P116-I136 PolarHBondContact O-N 2.77Å; P116-Q167 PolarHBondContact O-NE2 2.82Å |
| 117 | F | 95.3 | Very high | 93 | Very high | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.009 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 156 | -173.3 | -58.8 | -69.4 | 0 | 0 | 0 | 113.2 | S32 H114 G115 Y119 A132 A134 I136 L165 Q167 | S32-F117 WeakPolarHBondContact O-CZ 3.2Å; H114-F117 PolarHBondContact N-O 3.42Å; H114-F117 PolarHBondContact O-N 2.88Å; H114-F117 VanDerWaalsContact O-O 3.1Å; G115-F117 VanDerWaalsContact C-N 3.32Å; G115-F117 PolarHBondContact O-N 2.77Å; F117-Y119 HydrophobicContact CB-CE2 3.93Å; F117-A132 HydrophobicContact CB-CB 4.27Å; F117-A134 CarbonylContact C-O 3.49Å; F117-A134 WeakPolarHBondContact CA-O 3.4Å; F117-I136 WeakPolarHBondContact O-CD1 3.05Å; F117-L165 HydrophobicContact CD1-CD2 4.02Å; F117-L165 HydrophobicContact CD1-CG 4.33Å; F117-L165 HydrophobicContact CE1-CB 4.44Å; F117-L165 HydrophobicContact CE1-CD2 4.41Å; F117-L165 HydrophobicContact CE1-CG 4.24Å; F117-L165 WeakPolarHBondContact CE1-O 3.08Å; F117-L165 WeakPolarHBondContact CZ-O 3.32Å; F117-Q167 HydrophobicContact CE1-CG 4.06Å; F117-Q167 HydrophobicContact CZ-CG 4.39Å |
| 118 | V | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 125 | 168.1 | -174.8 | 0 | 0 | 0 | 0 | 107.9 | R111 A132 V133 A134 I136 E142 | R111-V118 HydrophobicContact CB-CG1 3.99Å; V118-A132 CarbonylContact O-C 3.59Å; V118-A132 WeakPolarHBondContact O-CA 3.42Å; V118-V133 HydrophobicContact CB-CG2 4.29Å; V118-V133 HydrophobicContact CG1-CG2 4.1Å; V118-V133 WeakPolarHBondContact O-CG2 3.06Å; V118-V133 PolarHBondContact O-N 3.03Å; V118-A134 HydrophobicContact CB-CB 4.04Å; V118-A134 HydrophobicContact CG2-CB 4.07Å; V118-A134 PolarHBondContact N-O 2.86Å; V118-A134 PolarHBondContact O-N 2.86Å; V118-I136 HydrophobicContact CG2-CD1 3.97Å; V118-I136 HydrophobicContact CG2-CG1 3.65Å; V118-E142 HydrophobicContact CG2-CB 4.44Å; V118-E142 HydrophobicContact CG2-CG 3.76Å |
| 119 | Y | 95.1 | Very high | 92.5 | Very high | 13 Ų | 13 | 54.5 Ų | 54.5 | 5% | 0.051 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 146.1 | 177.6 | -63.1 | -82.7 | 0 | 0 | 0 | 109.8 | Y34 F101 R111 L112 H114 F117 F130 A132 | Y34-Y119 HydrophobicContact CD1-CD1 4.13Å; Y34-Y119 AromaticContact CD1-CE1 3.45Å; Y34-Y119 HydrophobicContact CD1-CE1 3.45Å; Y34-Y119 VanDerWaalsContact CD1-CE1 3.45Å; Y34-Y119 HydrophobicContact CD2-CD1 4.42Å; Y34-Y119 AromaticContact CD2-CE1 3.34Å; Y34-Y119 HydrophobicContact CD2-CE1 3.34Å; Y34-Y119 AromaticContact CD2-CZ 3.82Å; Y34-Y119 WeakPolarHBondContact CD2-OH 3.39Å; Y34-Y119 AromaticContact CE1-CD1 3.68Å; Y34-Y119 HydrophobicContact CE1-CD1 3.68Å; Y34-Y119 AromaticContact CE1-CE1 3.38Å; Y34-Y119 HydrophobicContact CE1-CE1 3.38Å; Y34-Y119 HydrophobicContact CE2-CD1 4.08Å; Y34-Y119 AromaticContact CE2-CE1 3.36Å; Y34-Y119 HydrophobicContact CE2-CE1 3.36Å; Y34-Y119 HydrophobicContact CG-CD1 4.43Å; Y34-Y119 AromaticContact CG-CE1 3.37Å; Y34-Y119 HydrophobicContact CG-CE1 3.37Å; Y34-Y119 AromaticContact CG-CZ 3.96Å; Y34-Y119 AromaticContact CZ-CD1 3.68Å; Y34-Y119 AromaticContact CZ-CE1 3.37Å; F101-Y119 AromaticContact CE1-CD2 3.85Å; F101-Y119 HydrophobicContact CE1-CD2 3.85Å; F101-Y119 HydrophobicContact CE1-CE2 4.17Å; F101-Y119 HydrophobicContact CE1-CG 4.23Å; F101-Y119 HydrophobicContact CE2-CD1 4.4Å; F101-Y119 HydrophobicContact CE2-CE1 4.42Å; F101-Y119 HydrophobicContact CE2-CG 4.48Å; F101-Y119 HydrophobicContact CZ-CD1 4.36Å; F101-Y119 AromaticContact CZ-CD2 3.84Å; F101-Y119 HydrophobicContact CZ-CD2 3.84Å; F101-Y119 HydrophobicContact CZ-CE1 4.31Å; F101-Y119 AromaticContact CZ-CE2 3.8Å; F101-Y119 HydrophobicContact CZ-CE2 3.8Å; F101-Y119 HydrophobicContact CZ-CG 4.12Å; R111-Y119 CarbonylContact C-O 3.57Å; R111-Y119 VanDerWaalsContact CA-O 3.25Å; R111-Y119 WeakPolarHBondContact CA-O 3.38Å; L112-Y119 PolarHBondContact N-O 2.98Å; L112-Y119 PolarHBondContact O-N 3.49Å; H114-Y119 HydrophobicContact CB-CD2 3.9Å; H114-Y119 HydrophobicContact CB-CE2 3.73Å; H114-Y119 WeakPolarHBondContact O-CE2 3.38Å; F117-Y119 HydrophobicContact CB-CE2 3.93Å; Y119-F130 AromaticContact CD1-CZ 3.89Å; Y119-F130 HydrophobicContact CD1-CZ 3.89Å; Y119-F130 HydrophobicContact CG-CZ 4.14Å; Y119-A132 HydrophobicContact CD1-CB 4.23Å; Y119-A132 HydrophobicContact CE1-CB 4.02Å |
| 120 | S | 95.7 | Very high | 92.3 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 148.2 | 175 | -169.6 | 0 | 0 | 0 | 0 | 111.9 | D110 V122 E131 | D110-S120 VanDerWaalsContact O-CA 3.26Å; D110-S120 WeakPolarHBondContact O-CA 3.43Å; D110-S120 WeakPolarHBondContact O-CB 3.29Å; D110-S120 PolarHBondContact O-OG 3.44Å; S120-V122 PolarHBondContact O-N 2.96Å; S120-E131 PolarHBondContact N-O 2.6Å; S120-E131 PolarHBondContact O-N 3.38Å |
| 121 | C | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 94.7 | 168.8 | -163.3 | 0 | 0 | 0 | 0 | 108.5 | C99 L106 P108 G109 D110 P123 L128 T129 | C99-C121 HydrophobicContact CB-CB 3.65Å; C99-C121 WeakPolarHBondContact CB-SG 3.29Å; C99-C121 PolarHBondContact N-SG 3.2Å; C99-C121 WeakPolarHBondContact SG-CA 3.31Å; C99-C121 WeakPolarHBondContact SG-CB 3.15Å; C99-C121 CovalentContact SG-SG 2.05Å; C99-C121 PolarHBondContact SG-SG 2.92Å; L106-C121 HydrophobicContact CB-CB 4.07Å; P108-C121 CarbonylContact C-O 3.46Å; P108-C121 WeakPolarHBondContact CA-O 3.5Å; G109-C121 PolarHBondContact N-O 2.83Å; D110-C121 PolarHBondContact O-N 3.45Å; C121-P123 WeakPolarHBondContact O-CD 3.24Å; C121-L128 VanDerWaalsContact SG-CD2 3.57Å; C121-L128 VanDerWaalsContact SG-CG 3.57Å; C121-T129 CarbonylContact C-O 3.52Å |
| 122 | V | 94.3 | Very high | 92 | Very high | 29 Ų | 29 | 44.6 Ų | 44.6 | 18% | 0.176 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 114.4 | -168.9 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | S120 R124 T129 E131 V133 | S120-V122 PolarHBondContact O-N 2.96Å; V122-R124 HydrophobicContact CG1-CG 4.16Å; V122-T129 PolarHBondContact N-O 3.1Å; V122-T129 PolarHBondContact O-N 3.17Å; V122-E131 HydrophobicContact CG2-CG 3.85Å; V122-V133 HydrophobicContact CG2-CG1 3.71Å |
| 123 | P | 93 | Very high | 91.9 | Very high | 77 Ų | 77 | 43.1 Ų | 43.1 | 50% | 0.5 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 128 | 171.6 | 29.5 | -32.3 | 0 | 0 | 0 | 110.4 | P108 C121 L128 | P108-P123 HydrophobicContact CB-CB 4.27Å; P108-P123 HydrophobicContact CB-CG 4.18Å; C121-P123 WeakPolarHBondContact O-CD 3.24Å; P123-L128 HydrophobicContact CB-CD1 4.34Å |
| 124 | R | 89 | Confident | 92 | Very high | 110 Ų | 110 | 40.2 Ų | 40.2 | 42% | 0.415 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 93.2 | 175.4 | -65.2 | -174.6 | -178 | -174.8 | 6.1 | 110 | V122 K126 L127 E131 | V122-R124 HydrophobicContact CG1-CG 4.16Å; R124-K126 PolarHBondContact O-N 2.81Å; R124-L127 HydrophobicContact CB-CB 4.2Å; R124-L127 PolarHBondContact N-O 3.47Å; R124-L127 WeakPolarHBondContact O-CA 3.49Å; R124-L127 WeakPolarHBondContact O-CB 3.48Å; R124-L127 PolarHBondContact O-N 2.87Å; R124-E131 IonicContact CZ-OE1 3.2Å; R124-E131 IonicContact NE-OE1 3.08Å; R124-E131 VanDerWaalsContact NH2-CD 3.29Å; R124-E131 IonicContact NH2-OE1 3.4Å; R124-E131 PolarHBondContact NH2-OE1 2.77Å; R124-E131 IonicContact NH2-OE2 3.55Å; R124-E131 PolarHBondContact NH2-OE2 3.4Å |
| 125 | Q | 84.7 | Confident | 92.1 | Very high | 208 Ų | 208 | 37 Ų | 37 | 97% | 0.972 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | -102.4 | -176.7 | -58.4 | 177.4 | -9.2 | 0 | 0 | 111.8 | ||
| 126 | K | 81.8 | Confident | 92.2 | Very high | 146 Ų | 146 | 35.4 Ų | 35.4 | 64% | 0.635 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 13.7 | 178 | -59.2 | -173.8 | 179.5 | -176.8 | 0 | 113.5 | R124 | R124-K126 PolarHBondContact O-N 2.81Š|
| 127 | L | 85.3 | Confident | 92.2 | Very high | 42 Ų | 42 | 34.4 Ų | 34.4 | 22% | 0.22 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 144.5 | -179.2 | -54.7 | 176.6 | 0 | 0 | 0 | 108.8 | R40 R124 | R40-L127 HydrophobicContact CB-CD2 3.71Å; R40-L127 HydrophobicContact CG-CD2 3.32Å; R124-L127 HydrophobicContact CB-CB 4.2Å; R124-L127 PolarHBondContact N-O 3.47Å; R124-L127 WeakPolarHBondContact O-CA 3.49Å; R124-L127 WeakPolarHBondContact O-CB 3.48Å; R124-L127 PolarHBondContact O-N 2.87Å |
| 128 | L | 91.4 | Very high | 91.7 | Very high | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 125.5 | 164.8 | -162.7 | 62.8 | 0 | 0 | 0 | 107.1 | I39 F80 P96 G98 P108 C121 P123 | I39-L128 PolarHBondContact N-O 2.83Å; I39-L128 PolarHBondContact O-N 3.47Å; F80-L128 HydrophobicContact CD1-CD2 4.31Å; F80-L128 HydrophobicContact CE1-CB 4.39Å; F80-L128 HydrophobicContact CE1-CG 4.45Å; F80-L128 WeakPolarHBondContact CE1-O 3.21Å; P96-L128 HydrophobicContact CB-CB 4Å; P96-L128 HydrophobicContact CB-CD2 4.03Å; P96-L128 HydrophobicContact CG-CB 4.11Å; G98-L128 WeakPolarHBondContact O-CD2 3.49Å; P108-L128 HydrophobicContact CB-CD1 4.08Å; P108-L128 HydrophobicContact CG-CD1 4.04Å; C121-L128 VanDerWaalsContact SG-CD2 3.57Å; C121-L128 VanDerWaalsContact SG-CG 3.57Å; P123-L128 HydrophobicContact CB-CD1 4.34Å |
| 129 | T | 91.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130.3 | -177.7 | -55.5 | 0 | 0 | 0 | 0 | 109 | T37 C121 V122 E131 | T37-T129 WeakPolarHBondContact O-CG2 3.48Å; C121-T129 CarbonylContact C-O 3.52Å; V122-T129 PolarHBondContact N-O 3.1Å; V122-T129 PolarHBondContact O-N 3.17Å; T129-E131 HydrophobicContact CG2-CB 4.15Å; T129-E131 HydrophobicContact CG2-CG 4.22Å |
| 130 | F | 91.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 113.4 | 168.1 | -175.6 | -121.1 | 0 | 0 | 0 | 108.5 | Y34 S36 T37 F80 C99 F101 L106 Y119 | Y34-F130 AromaticContact CZ-CE1 3.9Å; Y34-F130 WeakPolarHBondContact OH-CD1 3.48Å; Y34-F130 WeakPolarHBondContact OH-CE1 3.25Å; S36-F130 WeakPolarHBondContact CA-O 3.45Å; T37-F130 PolarHBondContact N-O 2.8Å; T37-F130 PolarHBondContact O-N 2.05Å; F80-F130 HydrophobicContact CE1-CB 4.34Å; F80-F130 HydrophobicContact CZ-CB 4.28Å; C99-F130 HydrophobicContact CB-CB 4.29Å; C99-F130 HydrophobicContact CB-CD2 3.84Å; C99-F130 HydrophobicContact CB-CG 4.26Å; F101-F130 HydrophobicContact CB-CE1 4.2Å; F101-F130 HydrophobicContact CB-CE2 3.95Å; F101-F130 HydrophobicContact CB-CZ 3.51Å; F101-F130 HydrophobicContact CD1-CZ 4.39Å; F101-F130 AromaticContact CD2-CE1 3.42Å; F101-F130 HydrophobicContact CD2-CE1 3.42Å; F101-F130 VanDerWaalsContact CD2-CE1 3.42Å; F101-F130 HydrophobicContact CD2-CE2 4.36Å; F101-F130 AromaticContact CD2-CZ 3.18Å; F101-F130 HydrophobicContact CD2-CZ 3.18Å; F101-F130 HydrophobicContact CE2-CE1 4.07Å; F101-F130 AromaticContact CE2-CZ 3.9Å; F101-F130 HydrophobicContact CE2-CZ 3.9Å; F101-F130 HydrophobicContact CG-CE1 4.1Å; F101-F130 HydrophobicContact CG-CE2 4.27Å; F101-F130 AromaticContact CG-CZ 3.44Å; F101-F130 HydrophobicContact CG-CZ 3.44Å; F101-F130 VanDerWaalsContact CG-CZ 3.44Å; L106-F130 HydrophobicContact CD1-CE2 3.9Å; Y119-F130 AromaticContact CD1-CZ 3.89Å; Y119-F130 HydrophobicContact CD1-CZ 3.89Å; Y119-F130 HydrophobicContact CG-CZ 4.14Å |
| 131 | E | 91.9 | Very high | 91 | Very high | 19 Ų | 19 | 58.5 Ų | 58.5 | 9% | 0.089 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 156.4 | -177 | 64.9 | 175 | 158.9 | 0 | 0 | 113 | S120 V122 R124 T129 V133 K145 | S120-E131 PolarHBondContact N-O 2.6Å; S120-E131 PolarHBondContact O-N 3.38Å; V122-E131 HydrophobicContact CG2-CG 3.85Å; R124-E131 IonicContact CZ-OE1 3.2Å; R124-E131 IonicContact NE-OE1 3.08Å; R124-E131 VanDerWaalsContact NH2-CD 3.29Å; R124-E131 IonicContact NH2-OE1 3.4Å; R124-E131 PolarHBondContact NH2-OE1 2.77Å; R124-E131 IonicContact NH2-OE2 3.55Å; R124-E131 PolarHBondContact NH2-OE2 3.4Å; T129-E131 HydrophobicContact CG2-CB 4.15Å; T129-E131 HydrophobicContact CG2-CG 4.22Å; E131-V133 HydrophobicContact CG-CG1 3.86Å; E131-V133 PolarHBondContact O-N 2.96Å; E131-K145 IonicContact OE2-NZ 3.4Å; E131-K145 PolarHBondContact OE2-NZ 2.91Å; E131-K145 VanDerWaalsContact OE2-NZ 3.15Å |
| 132 | A | 93.7 | Very high | 90.9 | Very high | 5 Ų | 5 | 63.2 Ų | 63.2 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 121.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y34 F117 V118 Y119 L165 | Y34-A132 HydrophobicContact CD1-CB 3.45Å; Y34-A132 VanDerWaalsContact CD1-CB 3.45Å; Y34-A132 HydrophobicContact CE1-CB 4.04Å; Y34-A132 HydrophobicContact CG-CB 4.22Å; F117-A132 HydrophobicContact CB-CB 4.27Å; V118-A132 CarbonylContact O-C 3.59Å; V118-A132 WeakPolarHBondContact O-CA 3.42Å; Y119-A132 HydrophobicContact CD1-CB 4.23Å; Y119-A132 HydrophobicContact CE1-CB 4.02Å; A132-L165 HydrophobicContact CB-CB 3.78Å; A132-L165 HydrophobicContact CB-CD2 3.94Å |
| 133 | V | 94.1 | Very high | 91 | Very high | 24 Ų | 24 | 64 Ų | 64 | 15% | 0.145 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | -21.7 | -173 | -69.2 | 0 | 0 | 0 | 0 | 113.6 | V118 V122 E131 | V118-V133 HydrophobicContact CB-CG2 4.29Å; V118-V133 HydrophobicContact CG1-CG2 4.1Å; V118-V133 WeakPolarHBondContact O-CG2 3.06Å; V118-V133 PolarHBondContact O-N 3.03Å; V122-V133 HydrophobicContact CG2-CG1 3.71Å; E131-V133 HydrophobicContact CG-CG1 3.86Å; E131-V133 PolarHBondContact O-N 2.96Å |
| 134 | A | 96 | Very high | 91.1 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 2% | 0.017 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 159.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F117 V118 E142 F143 | F117-A134 CarbonylContact C-O 3.49Å; F117-A134 WeakPolarHBondContact CA-O 3.4Å; V118-A134 HydrophobicContact CB-CB 4.04Å; V118-A134 HydrophobicContact CG2-CB 4.07Å; V118-A134 PolarHBondContact N-O 2.86Å; V118-A134 PolarHBondContact O-N 2.86Å; A134-E142 HydrophobicContact CB-CB 4.31Å; A134-F143 CarbonylContact C-O 3.49Å; A134-F143 WeakPolarHBondContact CA-O 3.11Å; A134-F143 WeakPolarHBondContact CB-O 3.47Å |
| 135 | C | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 146.7 | 170 | -65.6 | 0 | 0 | 0 | 0 | 110.2 | P116 E142 F143 L149 C158 Q167 | P116-C135 CarbonylContact O-C 3.58Å; P116-C135 WeakPolarHBondContact O-CA 3.1Å; C135-E142 CarbonylContact O-C 3.53Å; C135-E142 WeakPolarHBondContact O-CA 3.19Å; C135-F143 HydrophobicContact CB-CB 4.43Å; C135-F143 PolarHBondContact N-O 3.23Å; C135-F143 PolarHBondContact O-N 3.43Å; C135-L149 HydrophobicContact CB-CD2 3.59Å; C135-C158 HydrophobicContact CB-CB 3.62Å; C135-C158 WeakPolarHBondContact CB-SG 3.48Å; C135-C158 PolarHBondContact N-SG 3.29Å; C135-C158 VanDerWaalsContact N-SG 3.36Å; C135-C158 WeakPolarHBondContact SG-CA 3.24Å; C135-C158 WeakPolarHBondContact SG-CB 3.26Å; C135-C158 CovalentContact SG-SG 2.03Å; C135-C158 PolarHBondContact SG-SG 2.81Å; C135-Q167 HydrophobicContact CB-CG 4.04Å |
| 136 | I | 93.4 | Very high | 91.6 | Very high | 23 Ų | 23 | 53.1 Ų | 53.1 | 12% | 0.118 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 120.1 | 175.3 | -58.8 | 175.6 | 0 | 0 | 0 | 108.4 | A113 P116 F117 V118 R151 Q167 | A113-I136 HydrophobicContact CB-CD1 3.58Å; P116-I136 PolarHBondContact O-N 2.77Å; F117-I136 WeakPolarHBondContact O-CD1 3.05Å; V118-I136 HydrophobicContact CG2-CD1 3.97Å; V118-I136 HydrophobicContact CG2-CG1 3.65Å; I136-R151 PolarHBondContact O-NH2 2.92Å; I136-Q167 PolarHBondContact O-NE2 3.43Å; I136-Q167 VanDerWaalsContact O-NE2 3.15Å |
| 137 | G | 90.4 | Very high | 92.3 | Very high | 7 Ų | 7 | 50.8 Ų | 50.8 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | trans | -94.8 | -165.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G140 R141 | G137-G140 PolarHBondContact O-N 3.47Å; G137-R141 PolarHBondContact N-O 3.21Å | ||
| 138 | D | 85.7 | Confident | 92.8 | Very high | 78 Ų | 78 | 53.1 Ų | 53.1 | 42% | 0.417 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -60.2 | 144 | 179.6 | -68.6 | -10.5 | 0 | 0 | 0 | 111.3 | G140 R151 | D138-G140 PolarHBondContact O-N 2.86Å; D138-R151 WeakPolarHBondContact OD1-CG 3.46Å |
| 139 | R | 87.4 | Confident | 92.9 | Very high | 232 Ų | 232 | 53 Ų | 53 | 88% | 0.875 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | 61.2 | 22.6 | -178.3 | -47.7 | 178.2 | -172.8 | 173.9 | 2 | 114.4 | R141 | R139-R141 VanDerWaalsContact C-N 3.32Å; R139-R141 PolarHBondContact O-N 3.01Å |
| 140 | G | 89.6 | Confident | 92.9 | Very high | 52 Ų | 52 | 55.2 Ų | 55.2 | 54% | 0.536 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | 78.1 | 11.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | G137 D138 | G137-G140 PolarHBondContact O-N 3.47Å; D138-G140 PolarHBondContact O-N 2.86Å |
| 141 | R | 94.3 | Very high | 92.8 | Very high | 165 Ų | 165 | 59.4 Ų | 59.4 | 62% | 0.623 | 30% | 0.3 | S | S | * | . | trans | -68.5 | 137.3 | 177.6 | -68.7 | -177.6 | -179.7 | 178.2 | -0.8 | 111.1 | G137 R139 F143 | G137-R141 PolarHBondContact N-O 3.21Å; R139-R141 VanDerWaalsContact C-N 3.32Å; R139-R141 PolarHBondContact O-N 3.01Å; R141-F143 HydrophobicContact CB-CE2 3.75Å; R141-F143 HydrophobicContact CB-CZ 4.28Å; R141-F143 VanDerWaalsContact O-CD2 3.29Å; R141-F143 WeakPolarHBondContact O-CD2 3.3Å; R141-F143 WeakPolarHBondContact O-CE2 3.47Å | ||
| 142 | E | 94.8 | Very high | 92.7 | Very high | 100 Ų | 100 | 60.9 Ų | 60.9 | 47% | 0.467 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 136.1 | 178.9 | -55.2 | -169 | -173.2 | 0 | 0 | 111.9 | R111 V118 A134 C135 | R111-E142 IonicContact CZ-OE2 2.62Å; R111-E142 IonicContact NE-OE2 2.82Å; R111-E142 PolarHBondContact NE-OE2 3.07Å; R111-E142 IonicContact NH2-OE2 3.56Å; R111-E142 PolarHBondContact NH2-OE2 3.01Å; V118-E142 HydrophobicContact CG2-CB 4.44Å; V118-E142 HydrophobicContact CG2-CG 3.76Å; A134-E142 HydrophobicContact CB-CB 4.31Å; C135-E142 CarbonylContact O-C 3.53Å; C135-E142 WeakPolarHBondContact O-CA 3.19Å |
| 143 | F | 95.8 | Very high | 92.7 | Very high | 45 Ų | 45 | 65.9 Ų | 65.9 | 20% | 0.197 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 110.4 | 178.8 | -66.2 | -95 | 0 | 0 | 0 | 109.1 | A134 C135 R141 L147 Q148 L149 C158 | A134-F143 CarbonylContact C-O 3.49Å; A134-F143 WeakPolarHBondContact CA-O 3.11Å; A134-F143 WeakPolarHBondContact CB-O 3.47Å; C135-F143 HydrophobicContact CB-CB 4.43Å; C135-F143 PolarHBondContact N-O 3.23Å; C135-F143 PolarHBondContact O-N 3.43Å; R141-F143 HydrophobicContact CB-CE2 3.75Å; R141-F143 HydrophobicContact CB-CZ 4.28Å; R141-F143 VanDerWaalsContact O-CD2 3.29Å; R141-F143 WeakPolarHBondContact O-CD2 3.3Å; R141-F143 WeakPolarHBondContact O-CE2 3.47Å; F143-L147 HydrophobicContact CB-CB 4.16Å; F143-L147 HydrophobicContact CD1-CB 4.28Å; F143-Q148 WeakPolarHBondContact CD1-O 3.23Å; F143-Q148 WeakPolarHBondContact CE1-O 3.47Å; F143-L149 HydrophobicContact CB-CD2 4.02Å; F143-L149 HydrophobicContact CD1-CB 3.85Å; F143-L149 HydrophobicContact CD2-CB 3.66Å; F143-L149 HydrophobicContact CD2-CD2 3.94Å; F143-L149 HydrophobicContact CD2-CG 4.43Å; F143-L149 HydrophobicContact CE1-CB 3.84Å; F143-L149 HydrophobicContact CE2-CB 3.67Å; F143-L149 HydrophobicContact CG-CB 3.75Å; F143-L149 HydrophobicContact CG-CD2 4.04Å; F143-L149 HydrophobicContact CZ-CB 3.75Å; F143-C158 PolarHBondContact O-SG 3.49Å |
| 144 | G | 94.1 | Very high | 92.7 | Very high | 27 Ų | 27 | 64.9 Ų | 64.9 | 28% | 0.278 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 171 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | G146 L147 | G144-G146 PolarHBondContact O-N 3.33Å; G144-L147 WeakPolarHBondContact O-CB 3.28Å; G144-L147 PolarHBondContact O-N 3.27Å |
| 145 | K | 91.8 | Very high | 92.7 | Very high | 102 Ų | 102 | 64.9 Ų | 64.9 | 44% | 0.443 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 130.3 | 176.2 | -61.8 | 179.9 | -177.8 | 178 | 0 | 110.3 | E131 L147 L165 | E131-K145 IonicContact OE2-NZ 3.4Å; E131-K145 PolarHBondContact OE2-NZ 2.91Å; E131-K145 VanDerWaalsContact OE2-NZ 3.15Å; K145-L147 VanDerWaalsContact C-N 3.32Å; K145-L147 PolarHBondContact O-N 3.3Å; K145-L165 HydrophobicContact CG-CD1 3.87Å |
| 146 | G | 93.3 | Very high | 92.6 | Very high | 37 Ų | 37 | 65.1 Ų | 65.1 | 38% | 0.381 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -16.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | G144 K157 C158 | G144-G146 PolarHBondContact O-N 3.33Å; G146-K157 WeakPolarHBondContact O-CE 3.05Å; G146-C158 WeakPolarHBondContact CA-O 3.49Å; G146-C158 PolarHBondContact N-O 2.77Å |
| 147 | L | 96.2 | Very high | 92.7 | Very high | 97 Ų | 97 | 67.5 Ų | 67.5 | 51% | 0.508 | 35% | 0.35 | S | S | . | . | trans | -77.6 | 153.3 | -179.1 | -60 | -174 | 0 | 0 | 0 | 112.1 | F143 G144 K145 C158 | F143-L147 HydrophobicContact CB-CB 4.16Å; F143-L147 HydrophobicContact CD1-CB 4.28Å; G144-L147 WeakPolarHBondContact O-CB 3.28Å; G144-L147 PolarHBondContact O-N 3.27Å; K145-L147 VanDerWaalsContact C-N 3.32Å; K145-L147 PolarHBondContact O-N 3.3Å; L147-C158 PolarHBondContact O-N 2.91Å | ||
| 148 | Q | 95.4 | Very high | 93 | Very high | 91 Ų | 91 | 67.1 Ų | 67.1 | 43% | 0.425 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 146 | 177.8 | -61 | -169.2 | 49.3 | 0 | 0 | 111.1 | F143 V155 Y156 K157 | F143-Q148 WeakPolarHBondContact CD1-O 3.23Å; F143-Q148 WeakPolarHBondContact CE1-O 3.47Å; Q148-V155 HydrophobicContact CB-CG1 4.35Å; Q148-Y156 CarbonylContact C-O 3.6Å; Q148-Y156 WeakPolarHBondContact CA-O 3.36Å; Q148-K157 HydrophobicContact CG-CB 4.37Å; Q148-K157 HydrophobicContact CG-CG 4.14Å |
| 149 | L | 94 | Very high | 93.3 | Very high | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 146.9 | 175.4 | 65.5 | 96 | 0 | 0 | 0 | 109.2 | C135 F143 Y156 | C135-L149 HydrophobicContact CB-CD2 3.59Å; F143-L149 HydrophobicContact CB-CD2 4.02Å; F143-L149 HydrophobicContact CD1-CB 3.85Å; F143-L149 HydrophobicContact CD2-CB 3.66Å; F143-L149 HydrophobicContact CD2-CD2 3.94Å; F143-L149 HydrophobicContact CD2-CG 4.43Å; F143-L149 HydrophobicContact CE1-CB 3.84Å; F143-L149 HydrophobicContact CE2-CB 3.67Å; F143-L149 HydrophobicContact CG-CB 3.75Å; F143-L149 HydrophobicContact CG-CD2 4.04Å; F143-L149 HydrophobicContact CZ-CB 3.75Å; L149-Y156 HydrophobicContact CD1-CD2 4.13Å; L149-Y156 HydrophobicContact CD1-CG 4.3Å; L149-Y156 PolarHBondContact N-O 3.26Å; L149-Y156 PolarHBondContact O-N 3.35Å |
| 150 | T | 92.1 | Very high | 93.5 | Very high | 51 Ų | 51 | 58.2 Ų | 58.2 | 31% | 0.313 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 138.5 | 177.7 | -59.1 | 0 | 0 | 0 | 0 | 109.2 | G152 V154 V173 | T150-G152 WeakPolarHBondContact CG2-O 3.48Å; T150-V154 WeakPolarHBondContact CA-O 3.13Å; T150-V173 HydrophobicContact CG2-CG2 3.65Å |
| 151 | R | 89.5 | Confident | 93.3 | Very high | 88 Ų | 88 | 60.5 Ų | 60.5 | 33% | 0.332 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 110.3 | 170.4 | -178.3 | -173.8 | -59.2 | 151.2 | 10.4 | 108.8 | I136 D138 D153 V154 Y156 | I136-R151 PolarHBondContact O-NH2 2.92Å; D138-R151 WeakPolarHBondContact OD1-CG 3.46Å; R151-D153 PolarHBondContact O-N 2.92Å; R151-V154 PolarHBondContact N-O 2.97Å; R151-V154 PolarHBondContact O-N 2.89Å; R151-Y156 HydrophobicContact CB-CD2 4.29Å; R151-Y156 HydrophobicContact CB-CE2 3.9Å |
| 152 | G | 89.8 | Confident | 92.8 | Very high | 50 Ų | 50 | 56.1 Ų | 56.1 | 52% | 0.515 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | -132.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T150 V154 | T150-G152 WeakPolarHBondContact CG2-O 3.48Å; G152-V154 VanDerWaalsContact C-N 3.25Å; G152-V154 PolarHBondContact O-N 2.84Å |
| 153 | D | 92.6 | Very high | 92.1 | Very high | 109 Ų | 109 | 57.6 Ų | 57.6 | 58% | 0.583 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 17.1 | -177.5 | -53.7 | -37.4 | 0 | 0 | 0 | 114.1 | R151 C172 V173 V204 | R151-D153 PolarHBondContact O-N 2.92Å; D153-C172 CarbonylContact O-C 3.53Å; D153-C172 WeakPolarHBondContact O-CA 3.44Å; D153-V173 PolarHBondContact O-N 2.95Å; D153-V204 HydrophobicContact CB-CG2 4.36Å |
| 154 | V | 94.8 | Very high | 91.4 | Very high | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.024 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 132 | -176.8 | 176.2 | 0 | 0 | 0 | 0 | 112 | T150 R151 G152 Y156 A169 V202 | T150-V154 WeakPolarHBondContact CA-O 3.13Å; R151-V154 PolarHBondContact N-O 2.97Å; R151-V154 PolarHBondContact O-N 2.89Å; G152-V154 VanDerWaalsContact C-N 3.25Å; G152-V154 PolarHBondContact O-N 2.84Å; V154-Y156 HydrophobicContact CB-CD2 4.43Å; V154-Y156 HydrophobicContact CB-CE2 3.74Å; V154-Y156 HydrophobicContact CG1-CD2 3.89Å; V154-Y156 HydrophobicContact CG1-CE1 4.21Å; V154-Y156 HydrophobicContact CG1-CE2 3.41Å; V154-Y156 VanDerWaalsContact CG1-CE2 3.41Å; V154-Y156 HydrophobicContact CG1-CG 4.46Å; V154-Y156 WeakPolarHBondContact O-CD2 2.99Å; V154-A169 HydrophobicContact CG1-CB 3.93Å; V154-V202 HydrophobicContact CB-CG2 4.19Å; V154-V202 HydrophobicContact CG1-CG2 3.44Å; V154-V202 VanDerWaalsContact CG1-CG2 3.44Å; V154-V202 HydrophobicContact CG2-CG2 3.73Å |
| 155 | V | 95.4 | Very high | 91.3 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 124.1 | 173.8 | -171.6 | 0 | 0 | 0 | 0 | 108.7 | Q148 V170 G171 V173 E178 | Q148-V155 HydrophobicContact CB-CG1 4.35Å; V155-V170 HydrophobicContact CB-CG2 4.38Å; V155-V170 HydrophobicContact CG1-CG2 4Å; V155-V170 WeakPolarHBondContact O-CG2 3.5Å; V155-V170 PolarHBondContact O-N 2.93Å; V155-G171 PolarHBondContact N-O 3.18Å; V155-G171 PolarHBondContact O-N 2.96Å; V155-V173 HydrophobicContact CG2-CG2 3.63Å; V155-E178 HydrophobicContact CG2-CB 4.43Å; V155-E178 HydrophobicContact CG2-CG 3.94Å |
| 156 | Y | 94.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 146.3 | 176.5 | -64.4 | -95.5 | 0 | 0 | 0 | 109.9 | K30 Q148 L149 R151 V154 Q167 K168 A169 | K30-Y156 HydrophobicContact CB-CE1 4.3Å; K30-Y156 WeakPolarHBondContact CD-OH 3.21Å; K30-Y156 VanDerWaalsContact CE-OH 3.25Å; K30-Y156 WeakPolarHBondContact CE-OH 3.36Å; K30-Y156 WeakPolarHBondContact CG-OH 3.34Å; Q148-Y156 CarbonylContact C-O 3.6Å; Q148-Y156 WeakPolarHBondContact CA-O 3.36Å; L149-Y156 HydrophobicContact CD1-CD2 4.13Å; L149-Y156 HydrophobicContact CD1-CG 4.3Å; L149-Y156 PolarHBondContact N-O 3.26Å; L149-Y156 PolarHBondContact O-N 3.35Å; R151-Y156 HydrophobicContact CB-CD2 4.29Å; R151-Y156 HydrophobicContact CB-CE2 3.9Å; V154-Y156 HydrophobicContact CB-CD2 4.43Å; V154-Y156 HydrophobicContact CB-CE2 3.74Å; V154-Y156 HydrophobicContact CG1-CD2 3.89Å; V154-Y156 HydrophobicContact CG1-CE1 4.21Å; V154-Y156 HydrophobicContact CG1-CE2 3.41Å; V154-Y156 VanDerWaalsContact CG1-CE2 3.41Å; V154-Y156 HydrophobicContact CG1-CG 4.46Å; V154-Y156 WeakPolarHBondContact O-CD2 2.99Å; Y156-Q167 HydrophobicContact CD1-CB 4.03Å; Y156-K168 CarbonylContact C-O 3.59Å; Y156-K168 VanDerWaalsContact CA-O 3.27Å; Y156-K168 WeakPolarHBondContact CA-O 3.41Å; Y156-A169 HydrophobicContact CD1-CB 4.24Å; Y156-A169 HydrophobicContact CE1-CB 4.13Å |
| 157 | K | 95.6 | Very high | 91.2 | Very high | 73 Ų | 73 | 54.3 Ų | 54.3 | 32% | 0.317 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 126.2 | 167.9 | -164.3 | 170.8 | 174.7 | 179.8 | 0 | 109 | G146 Q148 M159 K168 V170 | G146-K157 WeakPolarHBondContact O-CE 3.05Å; Q148-K157 HydrophobicContact CG-CB 4.37Å; Q148-K157 HydrophobicContact CG-CG 4.14Å; K157-M159 HydrophobicContact CB-CG 3.95Å; K157-M159 HydrophobicContact CB-SD 4.18Å; K157-M159 HydrophobicContact CD-CG 3.95Å; K157-M159 HydrophobicContact CD-SD 3.61Å; K157-M159 HydrophobicContact CG-CG 3.58Å; K157-M159 HydrophobicContact CG-SD 3.91Å; K157-M159 PolarHBondContact O-N 2.86Å; K157-K168 PolarHBondContact N-O 3.1Å; K157-K168 PolarHBondContact O-N 2.86Å; K157-V170 HydrophobicContact CB-CB 4.46Å; K157-V170 HydrophobicContact CB-CG1 3.68Å; K157-V170 HydrophobicContact CB-CG2 3.94Å |
| 158 | C | 95.4 | Very high | 91 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 111.7 | 172.5 | -165.1 | 0 | 0 | 0 | 0 | 108.2 | C135 F143 G146 L147 | C135-C158 HydrophobicContact CB-CB 3.62Å; C135-C158 WeakPolarHBondContact CB-SG 3.48Å; C135-C158 PolarHBondContact N-SG 3.29Å; C135-C158 VanDerWaalsContact N-SG 3.36Å; C135-C158 WeakPolarHBondContact SG-CA 3.24Å; C135-C158 WeakPolarHBondContact SG-CB 3.26Å; C135-C158 CovalentContact SG-SG 2.03Å; C135-C158 PolarHBondContact SG-SG 2.81Å; F143-C158 PolarHBondContact O-SG 3.49Å; G146-C158 WeakPolarHBondContact CA-O 3.49Å; G146-C158 PolarHBondContact N-O 2.77Å; L147-C158 PolarHBondContact O-N 2.91Å |
| 159 | M | 93.8 | Very high | 90.9 | Very high | 43 Ų | 43 | 49.8 Ų | 49.8 | 21% | 0.212 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 147.6 | -173.5 | -59.3 | -165.6 | -36.6 | 0 | 0 | 112.3 | K157 I166 K168 | K157-M159 HydrophobicContact CB-CG 3.95Å; K157-M159 HydrophobicContact CB-SD 4.18Å; K157-M159 HydrophobicContact CD-CG 3.95Å; K157-M159 HydrophobicContact CD-SD 3.61Å; K157-M159 HydrophobicContact CG-CG 3.58Å; K157-M159 HydrophobicContact CG-SD 3.91Å; K157-M159 PolarHBondContact O-N 2.86Å; M159-I166 PolarHBondContact N-O 3.37Å; M159-I166 VanDerWaalsContact O-CG1 3.3Å; M159-I166 WeakPolarHBondContact O-CG1 3.49Å; M159-I166 PolarHBondContact O-N 2.62Å; M159-K168 HydrophobicContact CE-CB 4.04Å; M159-K168 HydrophobicContact CE-CD 3.43Å; M159-K168 VanDerWaalsContact CE-CD 3.43Å; M159-K168 HydrophobicContact CE-CG 4.37Å |
| 160 | P | 89.9 | Confident | 91 | Very high | 80 Ų | 80 | 51.4 Ų | 51.4 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 141.7 | 166.2 | 30.8 | -33.1 | 0 | 0 | 0 | 110.7 | R164 | P160-R164 CarbonylContact C-O 3.53Å; P160-R164 VanDerWaalsContact CA-O 3.26Å; P160-R164 WeakPolarHBondContact CA-O 3.44Å |
| 161 | E | 85.9 | Confident | 91.2 | Very high | 100 Ų | 100 | 49.1 Ų | 49.1 | 47% | 0.467 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 96.1 | 170.2 | -176.7 | 172.4 | -112.3 | 0 | 0 | 108.3 | D163 R164 I166 | E161-D163 PolarHBondContact O-N 2.91Å; E161-R164 PolarHBondContact N-O 3.28Å; E161-R164 VanDerWaalsContact O-CB 3.28Å; E161-R164 WeakPolarHBondContact O-CB 3.06Å; E161-R164 PolarHBondContact O-N 3.14Å; E161-R164 VanDerWaalsContact O-N 3.16Å; E161-I166 HydrophobicContact CB-CD1 3.86Å; E161-I166 HydrophobicContact CB-CG1 4.01Å; E161-I166 HydrophobicContact CB-CG2 4.11Å; E161-I166 HydrophobicContact CG-CD1 4.42Å |
| 162 | G | 83.5 | Confident | 91.6 | Very high | 73 Ų | 73 | 44.9 Ų | 44.9 | 75% | 0.753 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | -130.6 | -165.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | R164 | G162-R164 PolarHBondContact O-N 3.28Š|
| 163 | D | 79.8 | Confident | 92 | Very high | 130 Ų | 130 | 44 Ų | 44 | 70% | 0.695 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 17.6 | 178.6 | -56.6 | -34.5 | 0 | 0 | 0 | 113.2 | S36 E161 | S36-D163 PolarHBondContact N-O 2.87Å; S36-D163 PolarHBondContact OG-O 2.05Å; S36-D163 VanDerWaalsContact OG-O 3.12Å; E161-D163 PolarHBondContact O-N 2.91Å |
| 164 | R | 82.2 | Confident | 92.2 | Very high | 129 Ų | 129 | 39.2 Ų | 39.2 | 49% | 0.487 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 145.7 | -171.5 | -54.8 | -164.6 | 176.3 | 164.5 | -0.9 | 111.4 | Y34 P160 E161 G162 I166 | Y34-R164 WeakPolarHBondContact O-CA 3.17Å; Y34-R164 WeakPolarHBondContact O-CB 3.02Å; Y34-R164 WeakPolarHBondContact O-CG 3.48Å; P160-R164 CarbonylContact C-O 3.53Å; P160-R164 VanDerWaalsContact CA-O 3.26Å; P160-R164 WeakPolarHBondContact CA-O 3.44Å; E161-R164 PolarHBondContact N-O 3.28Å; E161-R164 VanDerWaalsContact O-CB 3.28Å; E161-R164 WeakPolarHBondContact O-CB 3.06Å; E161-R164 PolarHBondContact O-N 3.14Å; E161-R164 VanDerWaalsContact O-N 3.16Å; G162-R164 PolarHBondContact O-N 3.28Å; R164-I166 HydrophobicContact CB-CG2 4.46Å |
| 165 | L | 91.2 | Very high | 92.3 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 129.1 | 164.7 | -166.9 | 67.6 | 0 | 0 | 0 | 108.7 | F117 A132 K145 | F117-L165 HydrophobicContact CD1-CD2 4.02Å; F117-L165 HydrophobicContact CD1-CG 4.33Å; F117-L165 HydrophobicContact CE1-CB 4.44Å; F117-L165 HydrophobicContact CE1-CD2 4.41Å; F117-L165 HydrophobicContact CE1-CG 4.24Å; F117-L165 WeakPolarHBondContact CE1-O 3.08Å; F117-L165 WeakPolarHBondContact CZ-O 3.32Å; A132-L165 HydrophobicContact CB-CB 3.78Å; A132-L165 HydrophobicContact CB-CD2 3.94Å; K145-L165 HydrophobicContact CG-CD1 3.87Å |
| 166 | I | 90.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.015 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 151.8 | -179.6 | 65.3 | 161 | 0 | 0 | 0 | 111.6 | Y33 M159 E161 R164 K168 | Y33-I166 HydrophobicContact CD1-CG2 3.66Å; Y33-I166 HydrophobicContact CE1-CG2 4.28Å; M159-I166 PolarHBondContact N-O 3.37Å; M159-I166 VanDerWaalsContact O-CG1 3.3Å; M159-I166 WeakPolarHBondContact O-CG1 3.49Å; M159-I166 PolarHBondContact O-N 2.62Å; E161-I166 HydrophobicContact CB-CD1 3.86Å; E161-I166 HydrophobicContact CB-CG1 4.01Å; E161-I166 HydrophobicContact CB-CG2 4.11Å; E161-I166 HydrophobicContact CG-CD1 4.42Å; R164-I166 HydrophobicContact CB-CG2 4.46Å; I166-K168 HydrophobicContact CD1-CB 4.14Å |
| 167 | Q | 92 | Very high | 92.4 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.019 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 98.8 | 164.4 | -67.7 | -172.9 | -9 | 0 | 0 | 108.6 | P116 F117 C135 I136 Y156 | P116-Q167 PolarHBondContact O-NE2 2.82Å; F117-Q167 HydrophobicContact CE1-CG 4.06Å; F117-Q167 HydrophobicContact CZ-CG 4.39Å; C135-Q167 HydrophobicContact CB-CG 4.04Å; I136-Q167 PolarHBondContact O-NE2 3.43Å; I136-Q167 VanDerWaalsContact O-NE2 3.15Å; Y156-Q167 HydrophobicContact CD1-CB 4.03Å |
| 168 | K | 92.5 | Very high | 92.5 | Very high | 85 Ų | 85 | 53.2 Ų | 53.2 | 37% | 0.37 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 125.4 | 178.4 | -171.8 | 173.9 | -173.3 | 166 | 0 | 110 | Y156 K157 M159 I166 V170 | Y156-K168 CarbonylContact C-O 3.59Å; Y156-K168 VanDerWaalsContact CA-O 3.27Å; Y156-K168 WeakPolarHBondContact CA-O 3.41Å; K157-K168 PolarHBondContact N-O 3.1Å; K157-K168 PolarHBondContact O-N 2.86Å; M159-K168 HydrophobicContact CE-CB 4.04Å; M159-K168 HydrophobicContact CE-CD 3.43Å; M159-K168 VanDerWaalsContact CE-CD 3.43Å; M159-K168 HydrophobicContact CE-CG 4.37Å; I166-K168 HydrophobicContact CD1-CB 4.14Å; K168-V170 HydrophobicContact CG-CG1 4.41Å; K168-V170 PolarHBondContact O-N 2.81Å |
| 169 | A | 94.3 | Very high | 92.6 | Very high | 9 Ų | 9 | 53.6 Ų | 53.6 | 7% | 0.074 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 121.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | V154 Y156 V202 | V154-A169 HydrophobicContact CG1-CB 3.93Å; Y156-A169 HydrophobicContact CD1-CB 4.24Å; Y156-A169 HydrophobicContact CE1-CB 4.13Å; A169-V202 HydrophobicContact CB-CB 4.43Å; A169-V202 HydrophobicContact CB-CG1 3.89Å; A169-V202 HydrophobicContact CB-CG2 3.86Å |
| 170 | V | 95.4 | Very high | 92.8 | Very high | 37 Ų | 37 | 55.1 Ų | 55.1 | 22% | 0.224 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | -9.6 | -174.9 | -67.1 | 0 | 0 | 0 | 0 | 113.4 | V155 K157 K168 V181 | V155-V170 HydrophobicContact CB-CG2 4.38Å; V155-V170 HydrophobicContact CG1-CG2 4Å; V155-V170 WeakPolarHBondContact O-CG2 3.5Å; V155-V170 PolarHBondContact O-N 2.93Å; K157-V170 HydrophobicContact CB-CB 4.46Å; K157-V170 HydrophobicContact CB-CG1 3.68Å; K157-V170 HydrophobicContact CB-CG2 3.94Å; K168-V170 HydrophobicContact CG-CG1 4.41Å; K168-V170 PolarHBondContact O-N 2.81Å; V170-V181 VanDerWaalsContact C-CG2 3.43Å; V170-V181 VanDerWaalsContact O-CG2 3.25Å; V170-V181 WeakPolarHBondContact O-CG2 3.34Å; V170-V181 PolarHBondContact O-N 2.85Å |
| 171 | G | 97.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.5 | -178.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V155 V179 V202 | V155-G171 PolarHBondContact N-O 3.18Å; V155-G171 PolarHBondContact O-N 2.96Å; G171-V179 CarbonylContact C-O 3.44Å; G171-V179 WeakPolarHBondContact CA-O 3.05Å; G171-V202 WeakPolarHBondContact O-CG2 3.31Å |
| 172 | C | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 155.9 | 177.2 | -53.7 | 0 | 0 | 0 | 0 | 109.3 | D153 I174 E178 V179 C194 V204 | D153-C172 CarbonylContact O-C 3.53Å; D153-C172 WeakPolarHBondContact O-CA 3.44Å; C172-I174 HydrophobicContact CB-CD1 4.4Å; C172-I174 HydrophobicContact CB-CG1 4.18Å; C172-E178 WeakPolarHBondContact O-CA 3.27Å; C172-V179 PolarHBondContact N-O 2.86Å; C172-V179 PolarHBondContact O-N 2.95Å; C172-C194 HydrophobicContact CB-CB 3.66Å; C172-C194 WeakPolarHBondContact CB-SG 3.14Å; C172-C194 PolarHBondContact N-SG 3.16Å; C172-C194 WeakPolarHBondContact SG-CA 3.08Å; C172-C194 WeakPolarHBondContact SG-CB 3.05Å; C172-C194 CovalentContact SG-SG 2.05Å; C172-C194 PolarHBondContact SG-SG 2.91Å; C172-V204 HydrophobicContact CB-CG2 3.65Å |
| 173 | V | 97.2 | Very high | 94.3 | Very high | 31 Ų | 31 | 57.8 Ų | 57.8 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 117.6 | 167.2 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | T150 D153 V155 Q177 E178 | T150-V173 HydrophobicContact CG2-CG2 3.65Å; D153-V173 PolarHBondContact O-N 2.95Å; V155-V173 HydrophobicContact CG2-CG2 3.63Å; V173-Q177 CarbonylContact C-O 3.46Å; V173-Q177 WeakPolarHBondContact CA-O 3.5Å; V173-E178 HydrophobicContact CG2-CG 4.49Å |
| 174 | I | 97.2 | Very high | 95.1 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 115.4 | -178 | -55.8 | 176 | 0 | 0 | 0 | 107.3 | C172 G176 Q177 V179 V185 V187 Y192 V204 | C172-I174 HydrophobicContact CB-CD1 4.4Å; C172-I174 HydrophobicContact CB-CG1 4.18Å; I174-G176 PolarHBondContact O-N 2.97Å; I174-Q177 PolarHBondContact N-O 3.41Å; I174-Q177 WeakPolarHBondContact O-CB 3.35Å; I174-Q177 PolarHBondContact O-N 3Å; I174-V179 HydrophobicContact CB-CG2 4.26Å; I174-V179 HydrophobicContact CD1-CB 4.13Å; I174-V179 HydrophobicContact CD1-CG1 4.4Å; I174-V179 HydrophobicContact CD1-CG2 4.03Å; I174-V179 HydrophobicContact CG1-CG2 4.28Å; I174-V185 HydrophobicContact CB-CG1 3.92Å; I174-V185 HydrophobicContact CD1-CG1 3.92Å; I174-V185 HydrophobicContact CG2-CG1 3.67Å; I174-V187 HydrophobicContact CG2-CG2 4.11Å; I174-Y192 HydrophobicContact CG2-CD1 4.43Å; I174-Y192 HydrophobicContact CG2-CD2 4.03Å; I174-Y192 HydrophobicContact CG2-CG 3.91Å; I174-V204 HydrophobicContact CD1-CG1 3.95Å; I174-V204 HydrophobicContact CD1-CG2 4.19Å; I174-V204 HydrophobicContact CG1-CG1 3.95Å; I174-V204 HydrophobicContact CG1-CG2 3.75Å |
| 175 | A | 95.7 | Very high | 95.9 | Very high | 83 Ų | 83 | 49.5 Ų | 49.5 | 69% | 0.686 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 40.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q177 V187 | A175-Q177 PolarHBondContact O-N 3.26Å; A175-V187 HydrophobicContact CB-CB 4.31Å; A175-V187 HydrophobicContact CB-CG1 3.7Å; A175-V187 HydrophobicContact CB-CG2 3.69Å |
| 176 | G | 96.1 | Very high | 96.2 | Very high | 72 Ų | 72 | 51.9 Ų | 51.9 | 74% | 0.742 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -5.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | I174 | I174-G176 PolarHBondContact O-N 2.97Š|
| 177 | Q | 97.2 | Very high | 96.5 | Very high | 111 Ų | 111 | 53.3 Ų | 53.3 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 133.8 | 176.2 | -176.9 | 178 | -7.3 | 0 | 0 | 111.4 | V173 I174 A175 V179 | V173-Q177 CarbonylContact C-O 3.46Å; V173-Q177 WeakPolarHBondContact CA-O 3.5Å; I174-Q177 PolarHBondContact N-O 3.41Å; I174-Q177 WeakPolarHBondContact O-CB 3.35Å; I174-Q177 PolarHBondContact O-N 3Å; A175-Q177 PolarHBondContact O-N 3.26Å; Q177-V179 HydrophobicContact CG-CG2 4.41Å |
| 178 | E | 97.1 | Very high | 96.6 | Very high | 111 Ų | 111 | 60.2 Ų | 60.2 | 52% | 0.519 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 126.8 | 169.8 | -64.9 | -172.9 | -179.4 | 0 | 0 | 111.1 | V155 C172 V173 | V155-E178 HydrophobicContact CG2-CB 4.43Å; V155-E178 HydrophobicContact CG2-CG 3.94Å; C172-E178 WeakPolarHBondContact O-CA 3.27Å; V173-E178 HydrophobicContact CG2-CG 4.49Å |
| 179 | V | 98.2 | Very high | 96.8 | Very high | 9 Ų | 9 | 59.6 Ų | 59.6 | 6% | 0.055 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 119 | -178.4 | -178 | 0 | 0 | 0 | 0 | 108.9 | G171 C172 I174 Q177 R183 V185 C194 | G171-V179 CarbonylContact C-O 3.44Å; G171-V179 WeakPolarHBondContact CA-O 3.05Å; C172-V179 PolarHBondContact N-O 2.86Å; C172-V179 PolarHBondContact O-N 2.95Å; I174-V179 HydrophobicContact CB-CG2 4.26Å; I174-V179 HydrophobicContact CD1-CB 4.13Å; I174-V179 HydrophobicContact CD1-CG1 4.4Å; I174-V179 HydrophobicContact CD1-CG2 4.03Å; I174-V179 HydrophobicContact CG1-CG2 4.28Å; Q177-V179 HydrophobicContact CG-CG2 4.41Å; V179-R183 HydrophobicContact CG1-CB 3.76Å; V179-V185 HydrophobicContact CG2-CB 4.14Å; V179-V185 HydrophobicContact CG2-CG1 3.86Å; V179-C194 HydrophobicContact CB-CB 4.45Å; V179-C194 HydrophobicContact CG1-CB 4.11Å |
| 180 | S | 97.9 | Very high | 97 | Very high | 75 Ų | 75 | 59.8 Ų | 59.8 | 52% | 0.524 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 154 | 178.6 | -49.2 | 0 | 0 | 0 | 0 | 112.1 | H182 R183 | S180-H182 PolarHBondContact O-N 2.74Å; S180-R183 VanDerWaalsContact O-CB 3.27Å; S180-R183 WeakPolarHBondContact O-CB 3.48Å; S180-R183 PolarHBondContact O-N 3.29Å |
| 181 | V | 95.7 | Very high | 97.1 | Very high | 32 Ų | 32 | 60.2 Ų | 60.2 | 19% | 0.194 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 138.2 | 175.6 | -165.1 | 0 | 0 | 0 | 0 | 111.2 | V170 R183 R196 V202 | V170-V181 VanDerWaalsContact C-CG2 3.43Å; V170-V181 VanDerWaalsContact O-CG2 3.25Å; V170-V181 WeakPolarHBondContact O-CG2 3.34Å; V170-V181 PolarHBondContact O-N 2.85Å; V181-R183 PolarHBondContact O-N 2.83Å; V181-R196 HydrophobicContact CG1-CG 3.65Å; V181-V202 HydrophobicContact CG1-CG1 4.12Å; V181-V202 HydrophobicContact CG2-CG1 3.69Å |
| 182 | H | 96.1 | Very high | 97.1 | Very high | 102 Ų | 102 | 62.8 Ų | 62.8 | 47% | 0.472 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | -1.6 | -175.2 | -55.7 | -61.8 | 0 | 0 | 0 | 116.1 | S180 C194 R196 | S180-H182 PolarHBondContact O-N 2.74Å; H182-C194 WeakPolarHBondContact CA-O 3.17Å; H182-C194 PolarHBondContact N-O 2.05Å; H182-R196 PolarHBondContact NE2-NE 2.94Å |
| 183 | R | 98.3 | Very high | 97.1 | Very high | 174 Ų | 174 | 65.9 Ų | 65.9 | 66% | 0.657 | 37% | 0.365 | S | S | * | . | trans | -85.6 | 154.7 | 170.9 | -58.8 | -60.7 | -173.7 | 175 | 0 | 110.7 | V179 S180 V181 K193 C194 | V179-R183 HydrophobicContact CG1-CB 3.76Å; S180-R183 VanDerWaalsContact O-CB 3.27Å; S180-R183 WeakPolarHBondContact O-CB 3.48Å; S180-R183 PolarHBondContact O-N 3.29Å; V181-R183 PolarHBondContact O-N 2.83Å; R183-K193 WeakPolarHBondContact O-CA 3.36Å; R183-C194 PolarHBondContact O-N 3.46Å | ||
| 184 | S | 97.7 | Very high | 97.2 | Very high | 65 Ų | 65 | 64.4 Ų | 64.4 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 153.6 | 177.4 | 58.4 | 0 | 0 | 0 | 0 | 111.2 | W191 Y192 | S184-W191 PolarHBondContact OG-NE1 2.84Å; S184-Y192 CarbonylContact C-O 3.57Å; S184-Y192 WeakPolarHBondContact CA-O 3.12Å; S184-Y192 WeakPolarHBondContact CB-O 3.48Å |
| 185 | V | 98.1 | Very high | 97.1 | Very high | 21 Ų | 21 | 64.9 Ų | 64.9 | 13% | 0.127 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 151.6 | 175.4 | 65.7 | 0 | 0 | 0 | 0 | 108.7 | I174 V179 V187 Y192 | I174-V185 HydrophobicContact CB-CG1 3.92Å; I174-V185 HydrophobicContact CD1-CG1 3.92Å; I174-V185 HydrophobicContact CG2-CG1 3.67Å; V179-V185 HydrophobicContact CG2-CB 4.14Å; V179-V185 HydrophobicContact CG2-CG1 3.86Å; V185-V187 HydrophobicContact CG1-CG2 4.36Å; V185-Y192 PolarHBondContact N-O 2.84Å; V185-Y192 PolarHBondContact O-N 2.93Å |
| 186 | T | 97.9 | Very high | 97.1 | Very high | 55 Ų | 55 | 69 Ų | 69 | 34% | 0.337 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.3 | 170.3 | -66 | 0 | 0 | 0 | 0 | 108 | D188 V190 V210 H216 | T186-D188 WeakPolarHBondContact CG2-O 3.37Å; T186-V190 WeakPolarHBondContact CA-O 3.28Å; T186-V210 HydrophobicContact CG2-CB 4.04Å; T186-V210 HydrophobicContact CG2-CG1 4.38Å; T186-V210 HydrophobicContact CG2-CG2 3.54Å; T186-H216 PolarHBondContact OG1-NE2 2.95Å |
| 187 | V | 96.8 | Very high | 96.8 | Very high | 33 Ų | 33 | 66.9 Ų | 66.9 | 20% | 0.2 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 123.1 | 171.7 | -175.4 | 0 | 0 | 0 | 0 | 106.1 | I174 A175 V185 N189 V190 Y192 | I174-V187 HydrophobicContact CG2-CG2 4.11Å; A175-V187 HydrophobicContact CB-CB 4.31Å; A175-V187 HydrophobicContact CB-CG1 3.7Å; A175-V187 HydrophobicContact CB-CG2 3.69Å; V185-V187 HydrophobicContact CG1-CG2 4.36Å; V187-N189 PolarHBondContact O-N 3.16Å; V187-V190 PolarHBondContact N-O 2.84Å; V187-V190 PolarHBondContact O-N 2.93Å; V187-Y192 HydrophobicContact CB-CD2 4.33Å; V187-Y192 HydrophobicContact CB-CE2 3.92Å; V187-Y192 HydrophobicContact CG2-CD2 4.21Å; V187-Y192 HydrophobicContact CG2-CE2 4.23Å |
| 188 | D | 95.2 | Very high | 96.3 | Very high | 150 Ų | 150 | 65 Ų | 65 | 80% | 0.802 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | -118.1 | -170.4 | -54.2 | -44.8 | 0 | 0 | 0 | 111.3 | T186 | T186-D188 WeakPolarHBondContact CG2-O 3.37Š|
| 189 | N | 96.1 | Very high | 95.5 | Very high | 72 Ų | 72 | 67.4 Ų | 67.4 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 18.2 | 178.2 | 63.4 | -20 | 0 | 0 | 0 | 113 | V187 C209 V210 | V187-N189 PolarHBondContact O-N 3.16Å; N189-C209 CarbonylContact O-C 3.58Å; N189-C209 WeakPolarHBondContact O-CA 3.08Å; N189-V210 PolarHBondContact O-N 2.73Å |
| 190 | V | 98 | Very high | 94.5 | Very high | 13 Ų | 13 | 67.5 Ų | 67.5 | 8% | 0.079 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 133.5 | -178 | -174 | 0 | 0 | 0 | 0 | 110.7 | T186 V187 Y192 I206 V239 | T186-V190 WeakPolarHBondContact CA-O 3.28Å; V187-V190 PolarHBondContact N-O 2.84Å; V187-V190 PolarHBondContact O-N 2.93Å; V190-Y192 HydrophobicContact CB-CD2 4.35Å; V190-Y192 HydrophobicContact CB-CE2 3.51Å; V190-Y192 HydrophobicContact CG1-CD1 4.45Å; V190-Y192 HydrophobicContact CG1-CD2 4.06Å; V190-Y192 HydrophobicContact CG1-CE1 3.9Å; V190-Y192 HydrophobicContact CG1-CE2 3.42Å; V190-Y192 VanDerWaalsContact CG1-CE2 3.42Å; V190-Y192 WeakPolarHBondContact CG1-OH 3.25Å; V190-I206 HydrophobicContact CG1-CG2 3.85Å; V190-V239 HydrophobicContact CB-CG2 4.39Å; V190-V239 HydrophobicContact CG1-CG2 3.65Å; V190-V239 HydrophobicContact CG2-CG2 4.01Å |
| 191 | W | 97.7 | Very high | 94 | Very high | 46 Ų | 46 | 64.1 Ų | 64.1 | 17% | 0.174 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 119.9 | 178.6 | 174 | 37.5 | 0 | 0 | 0 | 110.1 | S184 M207 G208 V210 H216 | S184-W191 PolarHBondContact OG-NE1 2.84Å; W191-M207 HydrophobicContact CD2-CB 3.37Å; W191-M207 HydrophobicContact CD2-CG 4.11Å; W191-M207 HydrophobicContact CE3-CB 3.3Å; W191-M207 HydrophobicContact CE3-CG 4.39Å; W191-M207 HydrophobicContact CG-CB 3.94Å; W191-M207 HydrophobicContact CH2-CB 3.97Å; W191-M207 HydrophobicContact CH2-CE 4.26Å; W191-M207 HydrophobicContact CH2-CG 4.44Å; W191-M207 HydrophobicContact CZ2-CB 4.05Å; W191-M207 HydrophobicContact CZ2-CG 4.18Å; W191-M207 HydrophobicContact CZ3-CB 3.61Å; W191-M207 WeakPolarHBondContact O-CB 3.34Å; W191-M207 PolarHBondContact O-N 2.85Å; W191-G208 PolarHBondContact N-O 2.98Å; W191-G208 PolarHBondContact O-N 3.28Å; W191-V210 HydrophobicContact CB-CG2 3.89Å; W191-H216 AromaticContact CD1-CD2 3.8Å; W191-H216 HydrophobicContact CD2-CB 4.44Å; W191-H216 AromaticContact CD2-CD2 3.58Å; W191-H216 HydrophobicContact CE3-CB 4.06Å; W191-H216 AromaticContact CG-CD2 3.48Å; W191-H216 VanDerWaalsContact CG-CD2 3.48Å; W191-H216 HydrophobicContact CZ3-CB 4.32Å |
| 192 | Y | 98 | Very high | 94 | Very high | 55 Ų | 55 | 63 Ų | 63 | 22% | 0.216 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 153.2 | -178.5 | -59 | -92.7 | 0 | 0 | 0 | 111.2 | I174 S184 V185 V187 V190 V204 V205 I206 | I174-Y192 HydrophobicContact CG2-CD1 4.43Å; I174-Y192 HydrophobicContact CG2-CD2 4.03Å; I174-Y192 HydrophobicContact CG2-CG 3.91Å; S184-Y192 CarbonylContact C-O 3.57Å; S184-Y192 WeakPolarHBondContact CA-O 3.12Å; S184-Y192 WeakPolarHBondContact CB-O 3.48Å; V185-Y192 PolarHBondContact N-O 2.84Å; V185-Y192 PolarHBondContact O-N 2.93Å; V187-Y192 HydrophobicContact CB-CD2 4.33Å; V187-Y192 HydrophobicContact CB-CE2 3.92Å; V187-Y192 HydrophobicContact CG2-CD2 4.21Å; V187-Y192 HydrophobicContact CG2-CE2 4.23Å; V190-Y192 HydrophobicContact CB-CD2 4.35Å; V190-Y192 HydrophobicContact CB-CE2 3.51Å; V190-Y192 HydrophobicContact CG1-CD1 4.45Å; V190-Y192 HydrophobicContact CG1-CD2 4.06Å; V190-Y192 HydrophobicContact CG1-CE1 3.9Å; V190-Y192 HydrophobicContact CG1-CE2 3.42Å; V190-Y192 VanDerWaalsContact CG1-CE2 3.42Å; V190-Y192 WeakPolarHBondContact CG1-OH 3.25Å; Y192-V204 HydrophobicContact CD1-CG1 3.83Å; Y192-V204 HydrophobicContact CG-CG1 4.49Å; Y192-V205 CarbonylContact C-O 3.58Å; Y192-V205 WeakPolarHBondContact CA-O 3.15Å; Y192-I206 HydrophobicContact CD1-CG1 4Å; Y192-I206 HydrophobicContact CE1-CD1 4.41Å; Y192-I206 HydrophobicContact CE1-CG1 3.79Å |
| 193 | K | 97.5 | Very high | 94 | Very high | 66 Ų | 66 | 62.8 Ų | 62.8 | 29% | 0.287 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 135.2 | 171.8 | -176.3 | 177 | -178.1 | 177.7 | 0 | 110.2 | R183 A195 V205 M207 | R183-K193 WeakPolarHBondContact O-CA 3.36Å; K193-A195 PolarHBondContact O-N 3.21Å; K193-V205 PolarHBondContact N-O 2.8Å; K193-V205 PolarHBondContact O-N 3.3Å; K193-M207 HydrophobicContact CB-CG 3.48Å; K193-M207 VanDerWaalsContact CB-CG 3.48Å; K193-M207 HydrophobicContact CB-SD 3.65Å; K193-M207 HydrophobicContact CD-CE 4.5Å; K193-M207 HydrophobicContact CD-CG 4.47Å; K193-M207 HydrophobicContact CD-SD 3.86Å; K193-M207 HydrophobicContact CG-SD 4.4Å |
| 194 | C | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 103.2 | 165.6 | -174 | 0 | 0 | 0 | 0 | 108.4 | C172 V179 H182 R183 | C172-C194 HydrophobicContact CB-CB 3.66Å; C172-C194 WeakPolarHBondContact CB-SG 3.14Å; C172-C194 PolarHBondContact N-SG 3.16Å; C172-C194 WeakPolarHBondContact SG-CA 3.08Å; C172-C194 WeakPolarHBondContact SG-CB 3.05Å; C172-C194 CovalentContact SG-SG 2.05Å; C172-C194 PolarHBondContact SG-SG 2.91Å; V179-C194 HydrophobicContact CB-CB 4.45Å; V179-C194 HydrophobicContact CG1-CB 4.11Å; H182-C194 WeakPolarHBondContact CA-O 3.17Å; H182-C194 PolarHBondContact N-O 2.05Å; R183-C194 PolarHBondContact O-N 3.46Å |
| 195 | A | 96.3 | Very high | 93.7 | Very high | 17 Ų | 17 | 56 Ų | 56 | 14% | 0.14 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 160.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K193 V202 E203 V205 | K193-A195 PolarHBondContact O-N 3.21Å; A195-V202 CarbonylContact O-C 3.55Å; A195-V202 WeakPolarHBondContact O-CA 3.23Å; A195-V202 WeakPolarHBondContact O-CB 3.43Å; A195-E203 PolarHBondContact N-O 3.42Å; A195-E203 PolarHBondContact O-N 3.22Å; A195-V205 HydrophobicContact CB-CB 4.41Å; A195-V205 HydrophobicContact CB-CG2 3.6Å |
| 196 | R | 94.8 | Very high | 93.7 | Very high | 170 Ų | 170 | 57.1 Ų | 57.1 | 64% | 0.642 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 135 | 169.2 | -73.1 | -172.5 | 177.7 | -173.7 | 0.2 | 109.8 | V181 H182 | V181-R196 HydrophobicContact CG1-CG 3.65Å; H182-R196 PolarHBondContact NE2-NE 2.94Å |
| 197 | A | 90.2 | Very high | 93.6 | Very high | 27 Ų | 27 | 57 Ų | 57 | 22% | 0.223 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 111.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | G201 E203 | A197-G201 PolarHBondContact N-O 3.34Å; A197-G201 CarbonylContact O-C 3.57Å; A197-G201 VanDerWaalsContact O-CA 3.23Å; A197-G201 WeakPolarHBondContact O-CA 3.38Å; A197-G201 PolarHBondContact O-N 2.83Å; A197-E203 HydrophobicContact CB-CB 4.08Å; A197-E203 HydrophobicContact CB-CG 3.91Å |
| 198 | G | 87.5 | Confident | 93.7 | Very high | 72 Ų | 72 | 55.4 Ų | 55.4 | 74% | 0.742 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | -151.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | G200 | G198-G200 PolarHBondContact O-N 2.85Š|
| 199 | I | 79.5 | Confident | 93.8 | Very high | 162 Ų | 162 | 48.3 Ų | 48.3 | 83% | 0.831 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -7.4 | -172.6 | -65.1 | 172.2 | 0 | 0 | 0 | 112.8 | Y31 | Y31-I199 PolarHBondContact OH-O 3.27Š|
| 200 | G | 77 | Confident | 93.9 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 150.4 | 39 | 161.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y31 G198 | Y31-G200 WeakPolarHBondContact OH-CA 3.47Å; Y31-G200 PolarHBondContact OH-O 3.3Å; G198-G200 PolarHBondContact O-N 2.85Å |
| 201 | G | 88.9 | Confident | 93.9 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 167.8 | 145.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A197 | A197-G201 PolarHBondContact N-O 3.34Å; A197-G201 CarbonylContact O-C 3.57Å; A197-G201 VanDerWaalsContact O-CA 3.23Å; A197-G201 WeakPolarHBondContact O-CA 3.38Å; A197-G201 PolarHBondContact O-N 2.83Å |
| 202 | V | 94.8 | Very high | 93.8 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 152.7 | 166.3 | -57.2 | 0 | 0 | 0 | 0 | 108 | V154 A169 G171 V181 A195 | V154-V202 HydrophobicContact CB-CG2 4.19Å; V154-V202 HydrophobicContact CG1-CG2 3.44Å; V154-V202 VanDerWaalsContact CG1-CG2 3.44Å; V154-V202 HydrophobicContact CG2-CG2 3.73Å; A169-V202 HydrophobicContact CB-CB 4.43Å; A169-V202 HydrophobicContact CB-CG1 3.89Å; A169-V202 HydrophobicContact CB-CG2 3.86Å; G171-V202 WeakPolarHBondContact O-CG2 3.31Å; V181-V202 HydrophobicContact CG1-CG1 4.12Å; V181-V202 HydrophobicContact CG2-CG1 3.69Å; A195-V202 CarbonylContact O-C 3.55Å; A195-V202 WeakPolarHBondContact O-CA 3.23Å; A195-V202 WeakPolarHBondContact O-CB 3.43Å |
| 203 | E | 95.1 | Very high | 93.7 | Very high | 98 Ų | 98 | 51.2 Ų | 51.2 | 46% | 0.458 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 154.5 | 179.6 | 71 | -172.1 | 147.9 | 0 | 0 | 110.8 | A195 A197 V205 | A195-E203 PolarHBondContact N-O 3.42Å; A195-E203 PolarHBondContact O-N 3.22Å; A197-E203 HydrophobicContact CB-CB 4.08Å; A197-E203 HydrophobicContact CB-CG 3.91Å; E203-V205 HydrophobicContact CG-CG2 3.75Å |
| 204 | V | 95.7 | Very high | 93.7 | Very high | 52 Ų | 52 | 50.1 Ų | 50.1 | 32% | 0.315 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 119.2 | 172.9 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | D153 C172 I174 Y192 | D153-V204 HydrophobicContact CB-CG2 4.36Å; C172-V204 HydrophobicContact CB-CG2 3.65Å; I174-V204 HydrophobicContact CD1-CG1 3.95Å; I174-V204 HydrophobicContact CD1-CG2 4.19Å; I174-V204 HydrophobicContact CG1-CG1 3.95Å; I174-V204 HydrophobicContact CG1-CG2 3.75Å; Y192-V204 HydrophobicContact CD1-CG1 3.83Å; Y192-V204 HydrophobicContact CG-CG1 4.49Å |
| 205 | V | 95.6 | Very high | 93.6 | Very high | 46 Ų | 46 | 54 Ų | 54 | 28% | 0.279 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 131.6 | 178.7 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | Y192 K193 A195 E203 M207 | Y192-V205 CarbonylContact C-O 3.58Å; Y192-V205 WeakPolarHBondContact CA-O 3.15Å; K193-V205 PolarHBondContact N-O 2.8Å; K193-V205 PolarHBondContact O-N 3.3Å; A195-V205 HydrophobicContact CB-CB 4.41Å; A195-V205 HydrophobicContact CB-CG2 3.6Å; E203-V205 HydrophobicContact CG-CG2 3.75Å; V205-M207 HydrophobicContact CB-SD 4.48Å; V205-M207 HydrophobicContact CG1-SD 4.05Å; V205-M207 PolarHBondContact O-N 2.87Å |
| 206 | I | 96.9 | Very high | 93.7 | Very high | 44 Ų | 44 | 57.6 Ų | 57.6 | 23% | 0.226 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 116.9 | 168.3 | -57.4 | 177 | 0 | 0 | 0 | 107.7 | V190 Y192 I219 S237 V239 | V190-I206 HydrophobicContact CG1-CG2 3.85Å; Y192-I206 HydrophobicContact CD1-CG1 4Å; Y192-I206 HydrophobicContact CE1-CD1 4.41Å; Y192-I206 HydrophobicContact CE1-CG1 3.79Å; I206-I219 HydrophobicContact CG2-CD1 4.21Å; I206-S237 VanDerWaalsContact CD1-O 3.28Å; I206-S237 WeakPolarHBondContact CD1-O 3.47Å; I206-V239 HydrophobicContact CG2-CB 4.24Å; I206-V239 HydrophobicContact CG2-CG1 3.63Å; I206-V239 HydrophobicContact CG2-CG2 3.55Å |
| 207 | M | 97.1 | Very high | 93.8 | Very high | 52 Ų | 52 | 49.9 Ų | 49.9 | 26% | 0.256 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -35.3 | 179.4 | -62.5 | -57.6 | -54 | 0 | 0 | 111.6 | W191 K193 V205 | W191-M207 HydrophobicContact CD2-CB 3.37Å; W191-M207 HydrophobicContact CD2-CG 4.11Å; W191-M207 HydrophobicContact CE3-CB 3.3Å; W191-M207 HydrophobicContact CE3-CG 4.39Å; W191-M207 HydrophobicContact CG-CB 3.94Å; W191-M207 HydrophobicContact CH2-CB 3.97Å; W191-M207 HydrophobicContact CH2-CE 4.26Å; W191-M207 HydrophobicContact CH2-CG 4.44Å; W191-M207 HydrophobicContact CZ2-CB 4.05Å; W191-M207 HydrophobicContact CZ2-CG 4.18Å; W191-M207 HydrophobicContact CZ3-CB 3.61Å; W191-M207 WeakPolarHBondContact O-CB 3.34Å; W191-M207 PolarHBondContact O-N 2.85Å; K193-M207 HydrophobicContact CB-CG 3.48Å; K193-M207 VanDerWaalsContact CB-CG 3.48Å; K193-M207 HydrophobicContact CB-SD 3.65Å; K193-M207 HydrophobicContact CD-CE 4.5Å; K193-M207 HydrophobicContact CD-CG 4.47Å; K193-M207 HydrophobicContact CD-SD 3.86Å; K193-M207 HydrophobicContact CG-SD 4.4Å; V205-M207 HydrophobicContact CB-SD 4.48Å; V205-M207 HydrophobicContact CG1-SD 4.05Å; V205-M207 PolarHBondContact O-N 2.87Å |
| 208 | G | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.9 | -156.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | W191 V217 | W191-G208 PolarHBondContact N-O 2.98Å; W191-G208 PolarHBondContact O-N 3.28Å; G208-V217 CarbonylContact C-O 3.59Å; G208-V217 VanDerWaalsContact CA-O 3.26Å; G208-V217 WeakPolarHBondContact CA-O 3.19Å |
| 209 | C | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 160.1 | -178.5 | -53.5 | 0 | 0 | 0 | 0 | 110.2 | N189 V217 C232 G240 I241 | N189-C209 CarbonylContact O-C 3.58Å; N189-C209 WeakPolarHBondContact O-CA 3.08Å; C209-V217 PolarHBondContact N-O 2.88Å; C209-V217 PolarHBondContact O-N 2.8Å; C209-C232 HydrophobicContact CB-CB 3.68Å; C209-C232 WeakPolarHBondContact CB-SG 3.39Å; C209-C232 PolarHBondContact N-SG 3.32Å; C209-C232 WeakPolarHBondContact SG-CA 3.25Å; C209-C232 WeakPolarHBondContact SG-CB 3.48Å; C209-C232 CovalentContact SG-SG 2.05Å; C209-C232 PolarHBondContact SG-SG 3.45Å; C209-G240 VanDerWaalsContact SG-C 3.59Å; C209-I241 HydrophobicContact CB-CD1 3.94Å; C209-I241 HydrophobicContact CB-CG1 3.51Å |
| 210 | V | 98.2 | Very high | 95.5 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 9% | 0.085 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.8 | 170.9 | -172.5 | 0 | 0 | 0 | 0 | 108.7 | T186 N189 W191 I215 I241 | T186-V210 HydrophobicContact CG2-CB 4.04Å; T186-V210 HydrophobicContact CG2-CG1 4.38Å; T186-V210 HydrophobicContact CG2-CG2 3.54Å; N189-V210 PolarHBondContact O-N 2.73Å; W191-V210 HydrophobicContact CB-CG2 3.89Å; V210-I215 WeakPolarHBondContact CA-O 3.24Å; V210-I241 VanDerWaalsContact O-CD1 3.24Å; V210-I241 WeakPolarHBondContact O-CD1 3.28Å |
| 211 | S | 97.2 | Very high | 96.5 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | trans | -66.2 | 167.3 | 177.3 | 72.6 | 0 | 0 | 0 | 0 | 111.6 | S213 G214 I215 F223 | S211-S213 PolarHBondContact O-N 2.68Å; S211-S213 PolarHBondContact OG-N 3.32Å; S211-S213 PolarHBondContact OG-OG 2.71Å; S211-G214 PolarHBondContact O-N 2.89Å; S211-G214 PolarHBondContact OG-N 3.33Å; S211-I215 PolarHBondContact N-O 2.77Å; S211-I215 VanDerWaalsContact OG-CB 3.3Å; S211-I215 WeakPolarHBondContact OG-CB 3.44Å; S211-I215 PolarHBondContact OG-N 2.85Å; S211-F223 VanDerWaalsContact CB-CE2 3.46Å | ||
| 212 | N | 95.3 | Very high | 96.9 | Very high | 157 Ų | 157 | 57.5 Ų | 57.5 | 84% | 0.84 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -27.8 | 173.8 | -67.1 | -22.5 | 0 | 0 | 0 | 112.1 | G214 | N212-G214 VanDerWaalsContact C-N 3.27Å; N212-G214 PolarHBondContact O-N 2.81Å |
| 213 | S | 95.8 | Very high | 97 | Very high | 70 Ų | 70 | 58.1 Ų | 58.1 | 49% | 0.49 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 1.2 | 171.3 | 39.3 | 0 | 0 | 0 | 0 | 114.7 | S211 E225 | S211-S213 PolarHBondContact O-N 2.68Å; S211-S213 PolarHBondContact OG-N 3.32Å; S211-S213 PolarHBondContact OG-OG 2.71Å; S213-E225 WeakPolarHBondContact CB-OE1 3.44Å; S213-E225 PolarHBondContact N-OE1 3.47Å; S213-E225 PolarHBondContact OG-OE1 2.71Å |
| 214 | G | 96.7 | Very high | 97.1 | Very high | 43 Ų | 43 | 59 Ų | 59 | 44% | 0.443 | 32% | 0.321 | S | S | . | . | trans | 83.1 | 14.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S211 N212 | S211-G214 PolarHBondContact O-N 2.89Å; S211-G214 PolarHBondContact OG-N 3.33Å; N212-G214 VanDerWaalsContact C-N 3.27Å; N212-G214 PolarHBondContact O-N 2.81Å | ||
| 215 | I | 96.1 | Very high | 97.1 | Very high | 82 Ų | 82 | 59 Ų | 59 | 42% | 0.421 | 32% | 0.317 | S | S | . | . | trans | -81.3 | 123.5 | 179.5 | -55.8 | 172 | 0 | 0 | 0 | 109.4 | V210 S211 V217 | V210-I215 WeakPolarHBondContact CA-O 3.24Å; S211-I215 PolarHBondContact N-O 2.77Å; S211-I215 VanDerWaalsContact OG-CB 3.3Å; S211-I215 WeakPolarHBondContact OG-CB 3.44Å; S211-I215 PolarHBondContact OG-N 2.85Å; I215-V217 HydrophobicContact CG2-CG2 4.09Å | ||
| 216 | H | 98 | Very high | 97.1 | Very high | 93 Ų | 93 | 60.4 Ų | 60.4 | 43% | 0.431 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 128.8 | 170.5 | -63.4 | 81.3 | 0 | 0 | 0 | 111 | T186 W191 | T186-H216 PolarHBondContact OG1-NE2 2.95Å; W191-H216 AromaticContact CD1-CD2 3.8Å; W191-H216 HydrophobicContact CD2-CB 4.44Å; W191-H216 AromaticContact CD2-CD2 3.58Å; W191-H216 HydrophobicContact CE3-CB 4.06Å; W191-H216 AromaticContact CG-CD2 3.48Å; W191-H216 VanDerWaalsContact CG-CD2 3.48Å; W191-H216 HydrophobicContact CZ3-CB 4.32Å |
| 217 | V | 98.1 | Very high | 97 | Very high | 8 Ų | 8 | 60 Ų | 60 | 5% | 0.048 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 116.5 | -175.5 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | G208 C209 I215 R221 F223 C232 | G208-V217 CarbonylContact C-O 3.59Å; G208-V217 VanDerWaalsContact CA-O 3.26Å; G208-V217 WeakPolarHBondContact CA-O 3.19Å; C209-V217 PolarHBondContact N-O 2.88Å; C209-V217 PolarHBondContact O-N 2.8Å; I215-V217 HydrophobicContact CG2-CG2 4.09Å; V217-R221 HydrophobicContact CG1-CB 3.85Å; V217-F223 HydrophobicContact CB-CD1 4.25Å; V217-F223 HydrophobicContact CG1-CD1 3.93Å; V217-F223 HydrophobicContact CG2-CB 4.08Å; V217-F223 HydrophobicContact CG2-CD1 3.57Å; V217-F223 HydrophobicContact CG2-CE1 4.07Å; V217-F223 HydrophobicContact CG2-CG 3.82Å; V217-C232 HydrophobicContact CB-CB 4.33Å; V217-C232 HydrophobicContact CG1-CB 3.97Å |
| 218 | D | 98 | Very high | 97.1 | Very high | 79 Ų | 79 | 61.4 Ų | 61.4 | 42% | 0.422 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 152.1 | 176.2 | -60.8 | -24.5 | 0 | 0 | 0 | 111.6 | G220 R221 | D218-G220 PolarHBondContact O-N 2.93Å; D218-R221 HydrophobicContact CB-CB 4.5Å; D218-R221 HydrophobicContact CB-CG 3.75Å; D218-R221 WeakPolarHBondContact O-CB 3.33Å; D218-R221 PolarHBondContact O-N 3.34Å |
| 219 | I | 97.3 | Very high | 97.1 | Very high | 73 Ų | 73 | 61.8 Ų | 61.8 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 129.8 | 175.7 | -55.2 | 176.6 | 0 | 0 | 0 | 110.4 | I206 R221 A234 V239 | I206-I219 HydrophobicContact CG2-CD1 4.21Å; I219-R221 VanDerWaalsContact C-N 3.28Å; I219-R221 PolarHBondContact O-N 2.98Å; I219-A234 HydrophobicContact CG2-CB 3.99Å; I219-V239 HydrophobicContact CD1-CG1 3.6Å; I219-V239 HydrophobicContact CG1-CG1 3.81Å |
| 220 | G | 97 | Very high | 97.1 | Very high | 46 Ų | 46 | 64.3 Ų | 64.3 | 47% | 0.474 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | -13.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D218 C232 | D218-G220 PolarHBondContact O-N 2.93Å; G220-C232 WeakPolarHBondContact CA-O 3.3Å; G220-C232 PolarHBondContact N-O 2.8Å |
| 221 | R | 98.2 | Very high | 97.1 | Very high | 167 Ų | 167 | 69.1 Ų | 69.1 | 63% | 0.63 | 38% | 0.379 | S | S | * | . | trans | -79.7 | 151.4 | 177.8 | -60.3 | -62.5 | -174.4 | 175.2 | -1 | 111.6 | V217 D218 I219 R231 C232 | V217-R221 HydrophobicContact CG1-CB 3.85Å; D218-R221 HydrophobicContact CB-CB 4.5Å; D218-R221 HydrophobicContact CB-CG 3.75Å; D218-R221 WeakPolarHBondContact O-CB 3.33Å; D218-R221 PolarHBondContact O-N 3.34Å; I219-R221 VanDerWaalsContact C-N 3.28Å; I219-R221 PolarHBondContact O-N 2.98Å; R221-R231 WeakPolarHBondContact O-CA 3.2Å; R221-C232 PolarHBondContact O-N 3.39Å; R221-C232 VanDerWaalsContact O-N 3.07Å | ||
| 222 | T | 97.6 | Very high | 97.1 | Very high | 70 Ų | 70 | 68.8 Ų | 68.8 | 43% | 0.429 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 153.1 | 175.4 | 51.7 | 0 | 0 | 0 | 0 | 111.2 | V229 Y230 R231 A244 | T222-V229 HydrophobicContact CG2-CG1 4.26Å; T222-Y230 CarbonylContact C-O 3.51Å; T222-Y230 WeakPolarHBondContact CA-O 3.27Å; T222-Y230 VanDerWaalsContact CB-O 3.28Å; T222-Y230 WeakPolarHBondContact CB-O 3.26Å; T222-R231 HydrophobicContact CG2-CB 4.04Å; T222-R231 HydrophobicContact CG2-CG 4.28Å; T222-A244 HydrophobicContact CG2-CB 4.42Å |
| 223 | F | 97.7 | Very high | 97.2 | Very high | 21 Ų | 21 | 66.7 Ų | 66.7 | 9% | 0.092 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 162.4 | 173.8 | 69.5 | -78.3 | 0 | 0 | 0 | 110.3 | S211 V217 E225 Y230 I241 | S211-F223 VanDerWaalsContact CB-CE2 3.46Å; V217-F223 HydrophobicContact CB-CD1 4.25Å; V217-F223 HydrophobicContact CG1-CD1 3.93Å; V217-F223 HydrophobicContact CG2-CB 4.08Å; V217-F223 HydrophobicContact CG2-CD1 3.57Å; V217-F223 HydrophobicContact CG2-CE1 4.07Å; V217-F223 HydrophobicContact CG2-CG 3.82Å; F223-E225 HydrophobicContact CD2-CB 4.46Å; F223-E225 HydrophobicContact CE2-CB 4.13Å; F223-Y230 HydrophobicContact CE1-CG 4.35Å; F223-Y230 HydrophobicContact CE2-CD2 4.2Å; F223-Y230 HydrophobicContact CE2-CG 4.33Å; F223-Y230 VanDerWaalsContact CZ-CB 3.42Å; F223-Y230 HydrophobicContact CZ-CD2 4.31Å; F223-Y230 AromaticContact CZ-CG 3.97Å; F223-Y230 HydrophobicContact CZ-CG 3.97Å; F223-Y230 PolarHBondContact N-O 3.22Å; F223-Y230 PolarHBondContact O-N 3.36Å; F223-I241 HydrophobicContact CE1-CD1 4.29Å; F223-I241 HydrophobicContact CE1-CG1 4.35Å; F223-I241 HydrophobicContact CE1-CG2 3.94Å; F223-I241 HydrophobicContact CZ-CD1 3.98Å; F223-I241 HydrophobicContact CZ-CG1 4.43Å; F223-I241 HydrophobicContact CZ-CG2 3.77Å |
| 224 | R | 96.7 | Very high | 97.2 | Very high | 117 Ų | 117 | 66 Ų | 66 | 44% | 0.442 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 137.2 | 177.7 | -64.3 | -179.6 | -175.7 | -179.2 | -1.1 | 110 | V247 L254 D256 | R224-V247 HydrophobicContact CB-CG2 4.49Å; R224-V247 HydrophobicContact CG-CG2 4.04Å; R224-L254 PolarHBondContact NH1-O 2.94Å; R224-D256 IonicContact CZ-OD1 3.61Å; R224-D256 IonicContact CZ-OD2 2.75Å; R224-D256 VanDerWaalsContact NE-CG 3.28Å; R224-D256 IonicContact NE-OD1 3.89Å; R224-D256 PolarHBondContact NE-OD1 3.16Å; R224-D256 IonicContact NE-OD2 2.67Å; R224-D256 PolarHBondContact NE-OD2 2.81Å; R224-D256 VanDerWaalsContact NE-OD2 3.08Å; R224-D256 IonicContact NH2-OD1 3.44Å; R224-D256 PolarHBondContact NH2-OD1 2.89Å; R224-D256 VanDerWaalsContact NH2-OD1 3.13Å; R224-D256 IonicContact NH2-OD2 2.86Å; R224-D256 PolarHBondContact NH2-OD2 3.49Å |
| 225 | E | 95.7 | Very high | 96.9 | Very high | 51 Ų | 51 | 70.6 Ų | 70.6 | 24% | 0.238 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 117.3 | 167.9 | -170.3 | 160.6 | -133.4 | 0 | 0 | 108.4 | S213 F223 G227 Y228 Y230 | S213-E225 WeakPolarHBondContact CB-OE1 3.44Å; S213-E225 PolarHBondContact N-OE1 3.47Å; S213-E225 PolarHBondContact OG-OE1 2.71Å; F223-E225 HydrophobicContact CD2-CB 4.46Å; F223-E225 HydrophobicContact CE2-CB 4.13Å; E225-G227 PolarHBondContact O-N 3.46Å; E225-Y228 PolarHBondContact N-O 2.82Å; E225-Y228 PolarHBondContact O-N 2.78Å; E225-Y230 HydrophobicContact CB-CD2 4.02Å; E225-Y230 HydrophobicContact CB-CE2 3.84Å |
| 226 | G | 94.3 | Very high | 96.6 | Very high | 76 Ų | 76 | 71 Ų | 71 | 78% | 0.784 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | -133 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y228 | G226-Y228 VanDerWaalsContact C-N 3.3Å; G226-Y228 PolarHBondContact O-N 3.06Å |
| 227 | G | 95.8 | Very high | 96.2 | Very high | 34 Ų | 34 | 72.4 Ų | 72.4 | 35% | 0.351 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 12.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | E225 V247 Q286 | E225-G227 PolarHBondContact O-N 3.46Å; G227-V247 PolarHBondContact O-N 3.25Å; G227-Q286 PolarHBondContact O-NE2 2.68Å |
| 228 | Y | 98.2 | Very high | 95.9 | Very high | 83 Ų | 83 | 73.3 Ų | 73.3 | 33% | 0.325 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 156.2 | -169.2 | -59 | -73.4 | 0 | 0 | 0 | 113.3 | E225 G226 L243 A284 | E225-Y228 PolarHBondContact N-O 2.82Å; E225-Y228 PolarHBondContact O-N 2.78Å; G226-Y228 VanDerWaalsContact C-N 3.3Å; G226-Y228 PolarHBondContact O-N 3.06Å; Y228-L243 HydrophobicContact CD1-CD2 4.2Å; Y228-L243 HydrophobicContact CG-CD2 3.99Å; Y228-A284 HydrophobicContact CD1-CB 3.58Å; Y228-A284 HydrophobicContact CE1-CB 3.52Å; Y228-A284 WeakPolarHBondContact CE1-O 3.48Å; Y228-A284 PolarHBondContact OH-O 3.15Å |
| 229 | V | 98.3 | Very high | 95.9 | Very high | 8 Ų | 8 | 70.5 Ų | 70.5 | 5% | 0.048 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129 | 173.4 | -174.2 | 0 | 0 | 0 | 0 | 107.4 | T222 A244 G245 V247 D256 | T222-V229 HydrophobicContact CG2-CG1 4.26Å; V229-A244 HydrophobicContact CG1-CB 4.37Å; V229-A244 WeakPolarHBondContact O-CA 3.34Å; V229-A244 PolarHBondContact O-N 2.78Å; V229-G245 PolarHBondContact N-O 2.03Å; V229-G245 PolarHBondContact O-N 2.9Å; V229-G245 VanDerWaalsContact O-N 3.1Å; V229-V247 HydrophobicContact CG2-CG2 3.73Å; V229-D256 HydrophobicContact CG2-CB 3.77Å; V229-D256 VanDerWaalsContact CG2-OD1 3.25Å; V229-D256 WeakPolarHBondContact CG2-OD1 2.97Å |
| 230 | Y | 98.4 | Very high | 95.8 | Very high | 52 Ų | 52 | 67.5 Ų | 67.5 | 20% | 0.204 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 162.2 | 177.9 | -65.1 | -90.5 | 0 | 0 | 0 | 110.3 | T222 F223 E225 I241 V242 L243 | T222-Y230 CarbonylContact C-O 3.51Å; T222-Y230 WeakPolarHBondContact CA-O 3.27Å; T222-Y230 VanDerWaalsContact CB-O 3.28Å; T222-Y230 WeakPolarHBondContact CB-O 3.26Å; F223-Y230 HydrophobicContact CE1-CG 4.35Å; F223-Y230 HydrophobicContact CE2-CD2 4.2Å; F223-Y230 HydrophobicContact CE2-CG 4.33Å; F223-Y230 VanDerWaalsContact CZ-CB 3.42Å; F223-Y230 HydrophobicContact CZ-CD2 4.31Å; F223-Y230 AromaticContact CZ-CG 3.97Å; F223-Y230 HydrophobicContact CZ-CG 3.97Å; F223-Y230 PolarHBondContact N-O 3.22Å; F223-Y230 PolarHBondContact O-N 3.36Å; E225-Y230 HydrophobicContact CB-CD2 4.02Å; E225-Y230 HydrophobicContact CB-CE2 3.84Å; Y230-I241 HydrophobicContact CD1-CG2 3.76Å; Y230-I241 HydrophobicContact CG-CG2 4.13Å; Y230-V242 CarbonylContact C-O 3.48Å; Y230-V242 VanDerWaalsContact CA-O 3.23Å; Y230-V242 WeakPolarHBondContact CA-O 3.22Å; Y230-L243 HydrophobicContact CD1-CD2 3.92Å; Y230-L243 HydrophobicContact CD1-CG 4.22Å; Y230-L243 HydrophobicContact CE1-CD2 3.39Å; Y230-L243 HydrophobicContact CE1-CG 3.81Å; Y230-L243 HydrophobicContact CE2-CD2 4.39Å |
| 231 | R | 98 | Very high | 95.9 | Very high | 115 Ų | 115 | 67.6 Ų | 67.6 | 43% | 0.434 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 137.8 | 174.8 | -178.3 | 177.5 | -72.9 | 164 | -1.4 | 110.3 | R221 T222 R233 I241 V242 A244 | R221-R231 WeakPolarHBondContact O-CA 3.2Å; T222-R231 HydrophobicContact CG2-CB 4.04Å; T222-R231 HydrophobicContact CG2-CG 4.28Å; R231-R233 PolarHBondContact O-N 3.15Å; R231-I241 WeakPolarHBondContact O-CA 3.46Å; R231-V242 HydrophobicContact CB-CG2 4.21Å; R231-V242 PolarHBondContact N-O 2.98Å; R231-V242 PolarHBondContact O-N 3.17Å; R231-A244 HydrophobicContact CB-CB 3.83Å |
| 232 | C | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 109.5 | 164.4 | -175.2 | 0 | 0 | 0 | 0 | 109 | C209 V217 G220 R221 | C209-C232 HydrophobicContact CB-CB 3.68Å; C209-C232 WeakPolarHBondContact CB-SG 3.39Å; C209-C232 PolarHBondContact N-SG 3.32Å; C209-C232 WeakPolarHBondContact SG-CA 3.25Å; C209-C232 WeakPolarHBondContact SG-CB 3.48Å; C209-C232 CovalentContact SG-SG 2.05Å; C209-C232 PolarHBondContact SG-SG 3.45Å; V217-C232 HydrophobicContact CB-CB 4.33Å; V217-C232 HydrophobicContact CG1-CB 3.97Å; G220-C232 WeakPolarHBondContact CA-O 3.3Å; G220-C232 PolarHBondContact N-O 2.8Å; R221-C232 PolarHBondContact O-N 3.39Å; R221-C232 VanDerWaalsContact O-N 3.07Å |
| 233 | R | 97.6 | Very high | 95.9 | Very high | 112 Ų | 112 | 57.5 Ų | 57.5 | 42% | 0.423 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 132.8 | -174.2 | -178.4 | 172.6 | -176.5 | -174.3 | 4.9 | 110.8 | R231 V239 G240 V242 E281 | R231-R233 PolarHBondContact O-N 3.15Å; R233-V239 CarbonylContact O-C 3.59Å; R233-V239 VanDerWaalsContact O-CA 3.31Å; R233-V239 WeakPolarHBondContact O-CA 3.48Å; R233-G240 PolarHBondContact N-O 3.49Å; R233-G240 PolarHBondContact O-N 2.99Å; R233-V242 HydrophobicContact CB-CG1 4.4Å; R233-V242 HydrophobicContact CB-CG2 3.78Å; R233-E281 WeakPolarHBondContact CD-OE1 3.38Å; R233-E281 IonicContact CZ-OE1 3.44Å; R233-E281 IonicContact CZ-OE2 3.22Å; R233-E281 IonicContact NE-OE1 3.38Å; R233-E281 IonicContact NH1-OE1 2.71Å; R233-E281 PolarHBondContact NH1-OE1 3.46Å; R233-E281 IonicContact NH1-OE2 2.74Å; R233-E281 PolarHBondContact NH1-OE2 3.37Å |
| 234 | A | 95.8 | Very high | 95.9 | Very high | 57 Ų | 57 | 57.3 Ų | 57.3 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 136.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I219 | I219-A234 HydrophobicContact CG2-CB 3.99Å |
| 235 | R | 90.9 | Very high | 96 | Very high | 139 Ų | 139 | 51.8 Ų | 51.8 | 53% | 0.525 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 101 | 178.4 | -71.9 | -175.1 | 173.6 | 173.8 | -0.4 | 109.8 | S237 G238 E281 | R235-S237 PolarHBondContact O-N 3.12Å; R235-S237 VanDerWaalsContact O-N 3.16Å; R235-G238 PolarHBondContact N-O 2.72Å; R235-G238 PolarHBondContact O-N 3.01Å; R235-E281 IonicContact NH2-OE2 3.92Å |
| 236 | G | 89.8 | Confident | 96.1 | Very high | 89 Ų | 89 | 49.3 Ų | 49.3 | 92% | 0.918 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | -119.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 237 | S | 87.8 | Confident | 96.3 | Very high | 123 Ų | 123 | 46.4 Ų | 46.4 | 86% | 0.86 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -1.5 | 176.1 | 54.4 | 0 | 0 | 0 | 0 | 114.8 | I206 R235 | I206-S237 VanDerWaalsContact CD1-O 3.28Å; I206-S237 WeakPolarHBondContact CD1-O 3.47Å; R235-S237 PolarHBondContact O-N 3.12Å; R235-S237 VanDerWaalsContact O-N 3.16Å |
| 238 | G | 93.3 | Very high | 96.3 | Very high | 27 Ų | 27 | 44.9 Ų | 44.9 | 28% | 0.278 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | -175.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R235 | R235-G238 PolarHBondContact N-O 2.72Å; R235-G238 PolarHBondContact O-N 3.01Å |
| 239 | V | 96.9 | Very high | 96.2 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 12% | 0.121 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 159.7 | 175.1 | -61.9 | 0 | 0 | 0 | 0 | 110.4 | V190 I206 I219 R233 | V190-V239 HydrophobicContact CB-CG2 4.39Å; V190-V239 HydrophobicContact CG1-CG2 3.65Å; V190-V239 HydrophobicContact CG2-CG2 4.01Å; I206-V239 HydrophobicContact CG2-CB 4.24Å; I206-V239 HydrophobicContact CG2-CG1 3.63Å; I206-V239 HydrophobicContact CG2-CG2 3.55Å; I219-V239 HydrophobicContact CD1-CG1 3.6Å; I219-V239 HydrophobicContact CG1-CG1 3.81Å; R233-V239 CarbonylContact O-C 3.59Å; R233-V239 VanDerWaalsContact O-CA 3.31Å; R233-V239 WeakPolarHBondContact O-CA 3.48Å |
| 240 | G | 96.4 | Very high | 96 | Very high | 11 Ų | 11 | 44 Ų | 44 | 11% | 0.113 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 157.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C209 R233 | C209-G240 VanDerWaalsContact SG-C 3.59Å; R233-G240 PolarHBondContact N-O 3.49Å; R233-G240 PolarHBondContact O-N 2.99Å |
| 241 | I | 97.9 | Very high | 95.6 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 128.8 | 175.7 | -63.3 | 174.8 | 0 | 0 | 0 | 108.9 | C209 V210 F223 Y230 R231 | C209-I241 HydrophobicContact CB-CD1 3.94Å; C209-I241 HydrophobicContact CB-CG1 3.51Å; V210-I241 VanDerWaalsContact O-CD1 3.24Å; V210-I241 WeakPolarHBondContact O-CD1 3.28Å; F223-I241 HydrophobicContact CE1-CD1 4.29Å; F223-I241 HydrophobicContact CE1-CG1 4.35Å; F223-I241 HydrophobicContact CE1-CG2 3.94Å; F223-I241 HydrophobicContact CZ-CD1 3.98Å; F223-I241 HydrophobicContact CZ-CG1 4.43Å; F223-I241 HydrophobicContact CZ-CG2 3.77Å; Y230-I241 HydrophobicContact CD1-CG2 3.76Å; Y230-I241 HydrophobicContact CG-CG2 4.13Å; R231-I241 WeakPolarHBondContact O-CA 3.46Å |
| 242 | V | 97.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.03 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 153.6 | 176.3 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | Y230 R231 R233 E281 | Y230-V242 CarbonylContact C-O 3.48Å; Y230-V242 VanDerWaalsContact CA-O 3.23Å; Y230-V242 WeakPolarHBondContact CA-O 3.22Å; R231-V242 HydrophobicContact CB-CG2 4.21Å; R231-V242 PolarHBondContact N-O 2.98Å; R231-V242 PolarHBondContact O-N 3.17Å; R233-V242 HydrophobicContact CB-CG1 4.4Å; R233-V242 HydrophobicContact CB-CG2 3.78Å; V242-E281 HydrophobicContact CB-CB 3.99Å; V242-E281 HydrophobicContact CB-CG 4.21Å; V242-E281 HydrophobicContact CG1-CB 4.31Å; V242-E281 HydrophobicContact CG2-CG 4.37Å |
| 243 | L | 98.4 | Very high | 95 | Very high | 20 Ų | 20 | 54.4 Ų | 54.4 | 11% | 0.105 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 135.5 | 168.1 | -76.5 | 162.9 | 0 | 0 | 0 | 109.6 | Y228 Y230 F259 E281 A284 | Y228-L243 HydrophobicContact CD1-CD2 4.2Å; Y228-L243 HydrophobicContact CG-CD2 3.99Å; Y230-L243 HydrophobicContact CD1-CD2 3.92Å; Y230-L243 HydrophobicContact CD1-CG 4.22Å; Y230-L243 HydrophobicContact CE1-CD2 3.39Å; Y230-L243 HydrophobicContact CE1-CG 3.81Å; Y230-L243 HydrophobicContact CE2-CD2 4.39Å; L243-F259 HydrophobicContact CB-CZ 3.95Å; L243-F259 WeakPolarHBondContact O-CE2 2.95Å; L243-E281 PolarHBondContact N-O 2.76Å; L243-E281 WeakPolarHBondContact O-CA 3.14Å; L243-A284 HydrophobicContact CD1-CB 4Å; L243-A284 HydrophobicContact CD2-CB 4.15Å |
| 244 | A | 98.2 | Very high | 94.9 | Very high | 18 Ų | 18 | 54.4 Ų | 54.4 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | -13.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T222 V229 R231 | T222-A244 HydrophobicContact CG2-CB 4.42Å; V229-A244 HydrophobicContact CG1-CB 4.37Å; V229-A244 WeakPolarHBondContact O-CA 3.34Å; V229-A244 PolarHBondContact O-N 2.78Å; R231-A244 HydrophobicContact CB-CB 3.83Å |
| 245 | G | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.7 | -165.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V229 F257 | V229-G245 PolarHBondContact N-O 2.03Å; V229-G245 PolarHBondContact O-N 2.9Å; V229-G245 VanDerWaalsContact O-N 3.1Å; G245-F257 CarbonylContact C-O 3.59Å; G245-F257 WeakPolarHBondContact CA-O 3.44Å |
| 246 | C | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 148.9 | -177.7 | -53.1 | 0 | 0 | 0 | 0 | 110.1 | F257 W263 C277 S285 Q286 | C246-F257 PolarHBondContact N-O 3.03Å; C246-F257 PolarHBondContact O-N 3.3Å; C246-W263 HydrophobicContact CB-CH2 4.32Å; C246-C277 HydrophobicContact CB-CB 3.67Å; C246-C277 WeakPolarHBondContact CB-SG 3.49Å; C246-C277 PolarHBondContact N-SG 3.42Å; C246-C277 VanDerWaalsContact SG-CA 3.55Å; C246-C277 WeakPolarHBondContact SG-CB 3.5Å; C246-C277 CovalentContact SG-SG 2.05Å; C246-C277 PolarHBondContact SG-SG 3.27Å; C246-S285 PolarHBondContact SG-O 3.12Å; C246-Q286 HydrophobicContact CB-CG 3.76Å |
| 247 | V | 98.2 | Very high | 95.8 | Very high | 15 Ų | 15 | 51 Ų | 51 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 118.5 | 168.3 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | R224 G227 V229 L254 R255 Q286 | R224-V247 HydrophobicContact CB-CG2 4.49Å; R224-V247 HydrophobicContact CG-CG2 4.04Å; G227-V247 PolarHBondContact O-N 3.25Å; V229-V247 HydrophobicContact CG2-CG2 3.73Å; V247-L254 HydrophobicContact CG1-CB 4.24Å; V247-L254 HydrophobicContact CG1-CD2 4.28Å; V247-R255 WeakPolarHBondContact CA-O 3.35Å; V247-Q286 PolarHBondContact O-NE2 3.22Å |
| 248 | G | 96.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 151.8 | -177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L254 R255 | G248-L254 WeakPolarHBondContact O-CA 3.1Å; G248-R255 PolarHBondContact N-O 2.74Å; G248-R255 PolarHBondContact O-N 3.21Å |
| 249 | A | 95.5 | Very high | 96.5 | Very high | 49 Ų | 49 | 53 Ų | 53 | 41% | 0.405 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 119 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q253 L254 | A249-Q253 WeakPolarHBondContact CA-O 3.36Å; A249-L254 HydrophobicContact CB-CD2 4.11Å |
| 250 | E | 94.1 | Very high | 96.5 | Very high | 24 Ų | 24 | 54.1 Ų | 54.1 | 11% | 0.112 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 123.3 | 171.1 | -178.9 | 174.9 | -129.8 | 0 | 0 | 108.7 | G252 Q253 R255 F257 W263 | E250-G252 PolarHBondContact O-N 2.81Å; E250-G252 VanDerWaalsContact O-N 3.13Å; E250-Q253 PolarHBondContact N-O 3.31Å; E250-Q253 PolarHBondContact O-N 2.83Å; E250-R255 WeakPolarHBondContact OE2-CD 3.06Å; E250-R255 IonicContact OE2-CZ 3.57Å; E250-R255 IonicContact OE2-NE 3.91Å; E250-R255 IonicContact OE2-NH1 3.67Å; E250-R255 PolarHBondContact OE2-NH1 3.5Å; E250-F257 HydrophobicContact CB-CZ 4.05Å; E250-W263 HydrophobicContact CB-CB 4.37Å; E250-W263 HydrophobicContact CG-CB 4.44Å |
| 251 | M | 89.7 | Confident | 96.6 | Very high | 168 Ų | 168 | 54.2 Ų | 54.2 | 83% | 0.828 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 34.5 | -175.9 | -54.1 | -177.7 | -159.8 | 0 | 0 | 113.6 | Q253 | M251-Q253 VanDerWaalsContact C-N 3.29Å; M251-Q253 PolarHBondContact O-N 3.47Å |
| 252 | G | 89.4 | Confident | 96.6 | Very high | 77 Ų | 77 | 57.9 Ų | 57.9 | 79% | 0.794 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | -2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | E250 | E250-G252 PolarHBondContact O-N 2.81Å; E250-G252 VanDerWaalsContact O-N 3.13Å |
| 253 | Q | 94.5 | Very high | 96.6 | Very high | 140 Ų | 140 | 57.9 Ų | 57.9 | 65% | 0.654 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 136 | 176.1 | -63.7 | -174.3 | -1 | 0 | 0 | 111.2 | A249 E250 M251 R255 | A249-Q253 WeakPolarHBondContact CA-O 3.36Å; E250-Q253 PolarHBondContact N-O 3.31Å; E250-Q253 PolarHBondContact O-N 2.83Å; M251-Q253 VanDerWaalsContact C-N 3.29Å; M251-Q253 PolarHBondContact O-N 3.47Å; Q253-R255 PolarHBondContact O-N 2.85Å |
| 254 | L | 96.3 | Very high | 96.5 | Very high | 112 Ų | 112 | 59.2 Ų | 59.2 | 59% | 0.586 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 118.4 | 173.8 | -67.7 | 176.8 | 0 | 0 | 0 | 110.6 | R224 V247 G248 A249 | R224-L254 PolarHBondContact NH1-O 2.94Å; V247-L254 HydrophobicContact CG1-CB 4.24Å; V247-L254 HydrophobicContact CG1-CD2 4.28Å; G248-L254 WeakPolarHBondContact O-CA 3.1Å; A249-L254 HydrophobicContact CB-CD2 4.11Å |
| 255 | R | 97.7 | Very high | 96.2 | Very high | 125 Ų | 125 | 59.5 Ų | 59.5 | 47% | 0.472 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 158 | -179.7 | -58.5 | -174.7 | 73.7 | -177.1 | 5 | 110.9 | V247 G248 E250 Q253 F257 | V247-R255 WeakPolarHBondContact CA-O 3.35Å; G248-R255 PolarHBondContact N-O 2.74Å; G248-R255 PolarHBondContact O-N 3.21Å; E250-R255 WeakPolarHBondContact OE2-CD 3.06Å; E250-R255 IonicContact OE2-CZ 3.57Å; E250-R255 IonicContact OE2-NE 3.91Å; E250-R255 IonicContact OE2-NH1 3.67Å; E250-R255 PolarHBondContact OE2-NH1 3.5Å; Q253-R255 PolarHBondContact O-N 2.85Å; R255-F257 HydrophobicContact CB-CE1 4.49Å; R255-F257 HydrophobicContact CB-CE2 3.71Å; R255-F257 HydrophobicContact CB-CZ 3.68Å; R255-F257 WeakPolarHBondContact O-CD2 3.06Å |
| 256 | D | 98 | Very high | 95.5 | Very high | 72 Ų | 72 | 70.3 Ų | 70.3 | 39% | 0.385 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 128.1 | 177.7 | -63.8 | -33.1 | 0 | 0 | 0 | 110.2 | R224 V229 | R224-D256 IonicContact CZ-OD1 3.61Å; R224-D256 IonicContact CZ-OD2 2.75Å; R224-D256 VanDerWaalsContact NE-CG 3.28Å; R224-D256 IonicContact NE-OD1 3.89Å; R224-D256 PolarHBondContact NE-OD1 3.16Å; R224-D256 IonicContact NE-OD2 2.67Å; R224-D256 PolarHBondContact NE-OD2 2.81Å; R224-D256 VanDerWaalsContact NE-OD2 3.08Å; R224-D256 IonicContact NH2-OD1 3.44Å; R224-D256 PolarHBondContact NH2-OD1 2.89Å; R224-D256 VanDerWaalsContact NH2-OD1 3.13Å; R224-D256 IonicContact NH2-OD2 2.86Å; R224-D256 PolarHBondContact NH2-OD2 3.49Å; V229-D256 HydrophobicContact CG2-CB 3.77Å; V229-D256 VanDerWaalsContact CG2-OD1 3.25Å; V229-D256 WeakPolarHBondContact CG2-OD1 2.97Å |
| 257 | F | 98.3 | Very high | 94.7 | Very high | 17 Ų | 17 | 74.6 Ų | 74.6 | 8% | 0.075 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 119 | -178 | -65.2 | -73.8 | 0 | 0 | 0 | 109.7 | G245 C246 E250 R255 A261 W263 C277 | G245-F257 CarbonylContact C-O 3.59Å; G245-F257 WeakPolarHBondContact CA-O 3.44Å; C246-F257 PolarHBondContact N-O 3.03Å; C246-F257 PolarHBondContact O-N 3.3Å; E250-F257 HydrophobicContact CB-CZ 4.05Å; R255-F257 HydrophobicContact CB-CE1 4.49Å; R255-F257 HydrophobicContact CB-CE2 3.71Å; R255-F257 HydrophobicContact CB-CZ 3.68Å; R255-F257 WeakPolarHBondContact O-CD2 3.06Å; F257-A261 HydrophobicContact CB-CB 4.01Å; F257-A261 HydrophobicContact CD1-CB 4.17Å; F257-W263 HydrophobicContact CB-CE3 3.84Å; F257-W263 HydrophobicContact CB-CH2 4.43Å; F257-W263 HydrophobicContact CB-CZ3 3.69Å; F257-W263 HydrophobicContact CD1-CB 4.13Å; F257-W263 HydrophobicContact CD1-CD2 4.05Å; F257-W263 AromaticContact CD1-CE3 3.63Å; F257-W263 HydrophobicContact CD1-CE3 3.63Å; F257-W263 HydrophobicContact CD1-CG 4.3Å; F257-W263 HydrophobicContact CD1-CZ3 4.36Å; F257-W263 AromaticContact CD2-CD2 3.59Å; F257-W263 HydrophobicContact CD2-CD2 3.59Å; F257-W263 AromaticContact CD2-CE2 3.9Å; F257-W263 AromaticContact CD2-CE3 3.59Å; F257-W263 HydrophobicContact CD2-CE3 3.59Å; F257-W263 HydrophobicContact CD2-CG 4.14Å; F257-W263 HydrophobicContact CD2-CH2 4.24Å; F257-W263 HydrophobicContact CD2-CZ2 4.22Å; F257-W263 AromaticContact CD2-CZ3 3.92Å; F257-W263 HydrophobicContact CD2-CZ3 3.92Å; F257-W263 HydrophobicContact CE1-CB 3.4Å; F257-W263 VanDerWaalsContact CE1-CB 3.4Å; F257-W263 HydrophobicContact CE1-CD2 4.04Å; F257-W263 HydrophobicContact CE1-CE3 4.06Å; F257-W263 AromaticContact CE1-CG 3.81Å; F257-W263 HydrophobicContact CE1-CG 3.81Å; F257-W263 HydrophobicContact CE2-CB 4.08Å; F257-W263 AromaticContact CE2-CD1 3.89Å; F257-W263 AromaticContact CE2-CD2 3.55Å; F257-W263 HydrophobicContact CE2-CD2 3.55Å; F257-W263 AromaticContact CE2-CE2 3.86Å; F257-W263 HydrophobicContact CE2-CE3 4Å; F257-W263 AromaticContact CE2-CG 3.59Å; F257-W263 HydrophobicContact CE2-CG 3.59Å; F257-W263 AromaticContact CG-CD2 3.84Å; F257-W263 HydrophobicContact CG-CD2 3.84Å; F257-W263 AromaticContact CG-CE3 3.37Å; F257-W263 HydrophobicContact CG-CE3 3.37Å; F257-W263 HydrophobicContact CG-CG 4.46Å; F257-W263 HydrophobicContact CG-CH2 4.45Å; F257-W263 AromaticContact CG-CZ3 3.72Å; F257-W263 HydrophobicContact CG-CZ3 3.72Å; F257-W263 HydrophobicContact CZ-CB 3.36Å; F257-W263 AromaticContact CZ-CD1 3.94Å; F257-W263 AromaticContact CZ-CD2 3.78Å; F257-W263 HydrophobicContact CZ-CD2 3.78Å; F257-W263 HydrophobicContact CZ-CE3 4.23Å; F257-W263 AromaticContact CZ-CG 3.4Å; F257-W263 HydrophobicContact CZ-CG 3.4Å; F257-W263 VanDerWaalsContact CZ-CG 3.4Å; F257-C277 HydrophobicContact CB-CB 4.36Å |
| 258 | H | 98.1 | Very high | 93.8 | Very high | 134 Ų | 134 | 79 Ų | 79 | 62% | 0.62 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 164.7 | 173.2 | 60.8 | -87.4 | 0 | 0 | 0 | 110.9 | G260 A261 | H258-G260 PolarHBondContact O-N 2.56Å; H258-A261 WeakPolarHBondContact O-CB 3.38Å; H258-A261 PolarHBondContact O-N 2.89Å |
| 259 | F | 98.2 | Very high | 93.4 | Very high | 56 Ų | 56 | 82.1 Ų | 82.1 | 25% | 0.246 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 132.6 | 177.2 | -58.2 | -54.1 | 0 | 0 | 0 | 112.2 | L243 A261 C277 N280 A284 | L243-F259 HydrophobicContact CB-CZ 3.95Å; L243-F259 WeakPolarHBondContact O-CE2 2.95Å; F259-A261 VanDerWaalsContact C-N 3.26Å; F259-A261 PolarHBondContact O-N 3.15Å; F259-C277 WeakPolarHBondContact CA-O 3.36Å; F259-N280 WeakPolarHBondContact CE2-O 3.35Å; F259-N280 VanDerWaalsContact CZ-C 3.46Å; F259-N280 WeakPolarHBondContact CZ-O 3.37Å; F259-A284 HydrophobicContact CE1-CB 3.81Å; F259-A284 HydrophobicContact CZ-CB 4.43Å |
| 260 | G | 97.7 | Very high | 93.2 | Very high | 44 Ų | 44 | 83.7 Ų | 83.7 | 45% | 0.454 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -9.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | H258 C277 | H258-G260 PolarHBondContact O-N 2.56Å; G260-C277 PolarHBondContact N-O 2.97Å |
| 261 | A | 98.2 | Very high | 93.1 | Very high | 13 Ų | 13 | 83.4 Ų | 83.4 | 11% | 0.107 | 44% | 0.444 | C | S | . | . | trans | -68.6 | 141.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | F257 H258 F259 E276 C277 | F257-A261 HydrophobicContact CB-CB 4.01Å; F257-A261 HydrophobicContact CD1-CB 4.17Å; H258-A261 WeakPolarHBondContact O-CB 3.38Å; H258-A261 PolarHBondContact O-N 2.89Å; F259-A261 VanDerWaalsContact C-N 3.26Å; F259-A261 PolarHBondContact O-N 3.15Å; A261-E276 WeakPolarHBondContact O-CA 3.29Å; A261-C277 PolarHBondContact O-N 3.38Å | ||
| 262 | R | 97.7 | Very high | 93.4 | Very high | 125 Ų | 125 | 75.4 Ų | 75.4 | 47% | 0.472 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 145.4 | 177.7 | -62.8 | 179 | 174.1 | 151 | 6 | 110.6 | M274 M275 E276 H290 | R262-M274 HydrophobicContact CB-CE 3.85Å; R262-M275 CarbonylContact C-O 3.55Å; R262-M275 WeakPolarHBondContact CA-O 3.45Å; R262-M275 WeakPolarHBondContact CB-O 3.28Å; R262-E276 HydrophobicContact CG-CB 3.97Å; R262-E276 HydrophobicContact CG-CG 3.89Å; R262-E276 IonicContact CZ-OE2 3.64Å; R262-E276 VanDerWaalsContact CZ-OE2 3.27Å; R262-E276 IonicContact NE-OE1 3.13Å; R262-E276 IonicContact NE-OE2 3.15Å; R262-E276 PolarHBondContact NE-OE2 2.75Å; R262-E276 IonicContact NH2-OE1 3.72Å; R262-E276 IonicContact NH2-OE2 2.62Å; R262-E276 PolarHBondContact NH2-OE2 2.71Å; R262-H290 PolarHBondContact NH1-CE1 2.59Å |
| 263 | W | 97.2 | Very high | 93.7 | Very high | 5 Ų | 5 | 73.9 Ų | 73.9 | 2% | 0.019 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 160.7 | 177.3 | 66.8 | 98.8 | 0 | 0 | 0 | 111.8 | C246 E250 F257 M274 M275 C277 Q286 | C246-W263 HydrophobicContact CB-CH2 4.32Å; E250-W263 HydrophobicContact CB-CB 4.37Å; E250-W263 HydrophobicContact CG-CB 4.44Å; F257-W263 HydrophobicContact CB-CE3 3.84Å; F257-W263 HydrophobicContact CB-CH2 4.43Å; F257-W263 HydrophobicContact CB-CZ3 3.69Å; F257-W263 HydrophobicContact CD1-CB 4.13Å; F257-W263 HydrophobicContact CD1-CD2 4.05Å; F257-W263 AromaticContact CD1-CE3 3.63Å; F257-W263 HydrophobicContact CD1-CE3 3.63Å; F257-W263 HydrophobicContact CD1-CG 4.3Å; F257-W263 HydrophobicContact CD1-CZ3 4.36Å; F257-W263 AromaticContact CD2-CD2 3.59Å; F257-W263 HydrophobicContact CD2-CD2 3.59Å; F257-W263 AromaticContact CD2-CE2 3.9Å; F257-W263 AromaticContact CD2-CE3 3.59Å; F257-W263 HydrophobicContact CD2-CE3 3.59Å; F257-W263 HydrophobicContact CD2-CG 4.14Å; F257-W263 HydrophobicContact CD2-CH2 4.24Å; F257-W263 HydrophobicContact CD2-CZ2 4.22Å; F257-W263 AromaticContact CD2-CZ3 3.92Å; F257-W263 HydrophobicContact CD2-CZ3 3.92Å; F257-W263 HydrophobicContact CE1-CB 3.4Å; F257-W263 VanDerWaalsContact CE1-CB 3.4Å; F257-W263 HydrophobicContact CE1-CD2 4.04Å; F257-W263 HydrophobicContact CE1-CE3 4.06Å; F257-W263 AromaticContact CE1-CG 3.81Å; F257-W263 HydrophobicContact CE1-CG 3.81Å; F257-W263 HydrophobicContact CE2-CB 4.08Å; F257-W263 AromaticContact CE2-CD1 3.89Å; F257-W263 AromaticContact CE2-CD2 3.55Å; F257-W263 HydrophobicContact CE2-CD2 3.55Å; F257-W263 AromaticContact CE2-CE2 3.86Å; F257-W263 HydrophobicContact CE2-CE3 4Å; F257-W263 AromaticContact CE2-CG 3.59Å; F257-W263 HydrophobicContact CE2-CG 3.59Å; F257-W263 AromaticContact CG-CD2 3.84Å; F257-W263 HydrophobicContact CG-CD2 3.84Å; F257-W263 AromaticContact CG-CE3 3.37Å; F257-W263 HydrophobicContact CG-CE3 3.37Å; F257-W263 HydrophobicContact CG-CG 4.46Å; F257-W263 HydrophobicContact CG-CH2 4.45Å; F257-W263 AromaticContact CG-CZ3 3.72Å; F257-W263 HydrophobicContact CG-CZ3 3.72Å; F257-W263 HydrophobicContact CZ-CB 3.36Å; F257-W263 AromaticContact CZ-CD1 3.94Å; F257-W263 AromaticContact CZ-CD2 3.78Å; F257-W263 HydrophobicContact CZ-CD2 3.78Å; F257-W263 HydrophobicContact CZ-CE3 4.23Å; F257-W263 AromaticContact CZ-CG 3.4Å; F257-W263 HydrophobicContact CZ-CG 3.4Å; F257-W263 VanDerWaalsContact CZ-CG 3.4Å; W263-M274 CarbonylContact O-C 3.53Å; W263-M274 VanDerWaalsContact O-CA 3.29Å; W263-M274 WeakPolarHBondContact O-CA 3.43Å; W263-M275 HydrophobicContact CD2-CB 3.77Å; W263-M275 HydrophobicContact CE3-CB 4.2Å; W263-M275 HydrophobicContact CG-CB 4.36Å; W263-M275 HydrophobicContact CH2-CB 3.84Å; W263-M275 HydrophobicContact CZ2-CB 3.36Å; W263-M275 HydrophobicContact CZ2-CG 4.08Å; W263-M275 HydrophobicContact CZ3-CB 4.24Å; W263-M275 PolarHBondContact N-O 2.84Å; W263-M275 PolarHBondContact O-N 2.72Å; W263-C277 HydrophobicContact CH2-CB 4.16Å; W263-C277 HydrophobicContact CZ3-CB 3.83Å; W263-Q286 HydrophobicContact CH2-CB 4.44Å; W263-Q286 HydrophobicContact CH2-CG 4.14Å; W263-Q286 HydrophobicContact CZ2-CG 4.41Å |
| 264 | F | 95.5 | Very high | 93.8 | Very high | 47 Ų | 47 | 68.3 Ų | 68.3 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 119.6 | 176.2 | -67.1 | -69.2 | 0 | 0 | 0 | 110.7 | M274 V292 R299 I301 | F264-M274 HydrophobicContact CD1-CG 3.47Å; F264-M274 VanDerWaalsContact CD1-CG 3.47Å; F264-M274 HydrophobicContact CD1-SD 4.3Å; F264-M274 HydrophobicContact CE1-CE 4.27Å; F264-M274 HydrophobicContact CE1-CG 3.24Å; F264-M274 HydrophobicContact CE1-SD 3.46Å; F264-M274 WeakPolarHBondContact CE1-SD 3.01Å; F264-M274 HydrophobicContact CZ-CE 4.26Å; F264-M274 HydrophobicContact CZ-CG 4.14Å; F264-M274 HydrophobicContact CZ-SD 3.87Å; F264-V292 HydrophobicContact CD1-CG2 3.97Å; F264-V292 HydrophobicContact CE1-CG2 3.73Å; F264-R299 VanDerWaalsContact CZ-NH1 3.25Å; F264-I301 HydrophobicContact CE1-CD1 4.1Å; F264-I301 HydrophobicContact CZ-CD1 3.95Å |
| 265 | A | 92.4 | Very high | 93.8 | Very high | 25 Ų | 25 | 64.5 Ų | 64.5 | 21% | 0.207 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 166.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y273 M275 | A265-Y273 PolarHBondContact N-O 2.74Å; A265-M275 HydrophobicContact CB-CG 3.81Å; A265-M275 HydrophobicContact CB-SD 4.42Å |
| 266 | R | 83.8 | Confident | 93.8 | Very high | 227 Ų | 227 | 60.2 Ų | 60.2 | 86% | 0.857 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 139.9 | 176 | -168.4 | 178.6 | -175.8 | -169 | 1.2 | 110.7 | ||
| 267 | N | 82.8 | Confident | 93.9 | Very high | 89 Ų | 89 | 56.8 Ų | 56.8 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 145.5 | 175.5 | -63.6 | -20.7 | 0 | 0 | 0 | 111.6 | G272 | N267-G272 WeakPolarHBondContact OD1-CA 3.48Š|
| 268 | V | 78.4 | Confident | 93.9 | Very high | 108 Ų | 108 | 59 Ų | 59 | 66% | 0.655 | 31% | 0.308 | S | S | * | . | B | Isolated β-bridge | trans | -112.4 | 93.1 | 165.9 | -175 | 0 | 0 | 0 | 0 | 107.3 | I271 Y273 | V268-I271 CarbonylContact C-O 3.53Å; V268-I271 PolarHBondContact N-O 2.72Å; V268-I271 PolarHBondContact O-N 2.72Å; V268-I271 VanDerWaalsContact O-O 3.07Å; V268-Y273 HydrophobicContact CG2-CE2 4.48Å |
| 269 | G | 87.9 | Confident | 93.8 | Very high | 67 Ų | 67 | 53.9 Ų | 53.9 | 69% | 0.691 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | -131.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I271 | G269-I271 VanDerWaalsContact C-N 3.33Š|
| 270 | I | 90.7 | Very high | 93.8 | Very high | 82 Ų | 82 | 54.3 Ų | 54.3 | 42% | 0.421 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -13.3 | 179.6 | 64.2 | 171.4 | 0 | 0 | 0 | 113.5 | N294 E295 L330 | I270-N294 PolarHBondContact O-N 3.3Å; I270-E295 HydrophobicContact CB-CG 4.27Å; I270-E295 HydrophobicContact CD1-CG 4.2Å; I270-E295 WeakPolarHBondContact CD1-OE1 3.26Å; I270-E295 HydrophobicContact CG2-CG 4.34Å; I270-L330 HydrophobicContact CD1-CD2 4.38Å |
| 271 | I | 93.6 | Very high | 93.8 | Very high | 18 Ų | 18 | 55.1 Ų | 55.1 | 9% | 0.092 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125.5 | -179.4 | -55.6 | -55.9 | 0 | 0 | 0 | 109.3 | V268 G269 Y273 V292 V293 F316 | V268-I271 CarbonylContact C-O 3.53Å; V268-I271 PolarHBondContact N-O 2.72Å; V268-I271 PolarHBondContact O-N 2.72Å; V268-I271 VanDerWaalsContact O-O 3.07Å; G269-I271 VanDerWaalsContact C-N 3.33Å; I271-Y273 HydrophobicContact CG2-CE1 4.24Å; I271-Y273 HydrophobicContact CG2-CE2 4.47Å; I271-V292 CarbonylContact C-O 3.53Å; I271-V292 WeakPolarHBondContact CA-O 3.46Å; I271-V293 HydrophobicContact CD1-CB 3.96Å; I271-V293 HydrophobicContact CD1-CG2 3.94Å; I271-F316 HydrophobicContact CD1-CE2 3.99Å |
| 272 | G | 94.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 172.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N267 V292 | N267-G272 WeakPolarHBondContact OD1-CA 3.48Å; G272-V292 PolarHBondContact N-O 2.77Å; G272-V292 PolarHBondContact O-N 2.73Å |
| 273 | Y | 95.9 | Very high | 93.8 | Very high | 45 Ų | 45 | 64.5 Ų | 64.5 | 18% | 0.176 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 143.7 | 179.1 | -59.9 | -78.1 | 0 | 0 | 0 | 110.1 | A265 V268 I271 I288 V326 | A265-Y273 PolarHBondContact N-O 2.74Å; V268-Y273 HydrophobicContact CG2-CE2 4.48Å; I271-Y273 HydrophobicContact CG2-CE1 4.24Å; I271-Y273 HydrophobicContact CG2-CE2 4.47Å; Y273-I288 HydrophobicContact CD1-CD1 4.11Å; Y273-I288 HydrophobicContact CD1-CG2 3.77Å; Y273-I288 HydrophobicContact CG-CD1 4.25Å; Y273-I288 HydrophobicContact CG-CG2 4.34Å; Y273-V326 HydrophobicContact CE1-CG1 4.39Å |
| 274 | M | 96.8 | Very high | 93.8 | Very high | 23 Ų | 23 | 64.9 Ų | 64.9 | 11% | 0.113 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 126.3 | 163.8 | -68.3 | -179.6 | 63.4 | 0 | 0 | 109 | R262 W263 F264 I288 S289 H290 V292 I301 | R262-M274 HydrophobicContact CB-CE 3.85Å; W263-M274 CarbonylContact O-C 3.53Å; W263-M274 VanDerWaalsContact O-CA 3.29Å; W263-M274 WeakPolarHBondContact O-CA 3.43Å; F264-M274 HydrophobicContact CD1-CG 3.47Å; F264-M274 VanDerWaalsContact CD1-CG 3.47Å; F264-M274 HydrophobicContact CD1-SD 4.3Å; F264-M274 HydrophobicContact CE1-CE 4.27Å; F264-M274 HydrophobicContact CE1-CG 3.24Å; F264-M274 HydrophobicContact CE1-SD 3.46Å; F264-M274 WeakPolarHBondContact CE1-SD 3.01Å; F264-M274 HydrophobicContact CZ-CE 4.26Å; F264-M274 HydrophobicContact CZ-CG 4.14Å; F264-M274 HydrophobicContact CZ-SD 3.87Å; M274-I288 CarbonylContact O-C 3.49Å; M274-I288 WeakPolarHBondContact O-CA 3.05Å; M274-S289 PolarHBondContact O-N 3.19Å; M274-S289 PolarHBondContact O-OG 3.2Å; M274-H290 HydrophobicContact CB-CB 3.96Å; M274-H290 HydrophobicContact CG-CB 4.2Å; M274-H290 PolarHBondContact N-O 2.05Å; M274-H290 PolarHBondContact O-N 2.91Å; M274-H290 HydrophobicContact SD-CB 4.01Å; M274-V292 HydrophobicContact CG-CG2 3.74Å; M274-V292 HydrophobicContact SD-CG2 4.42Å; M274-I301 HydrophobicContact SD-CD1 4.02Å; M274-I301 HydrophobicContact SD-CG2 3.59Å; M274-I301 VanDerWaalsContact SD-CG2 3.59Å |
| 275 | M | 97.2 | Very high | 93.9 | Very high | 32 Ų | 32 | 64.6 Ų | 64.6 | 16% | 0.158 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 153.8 | 170.8 | -58.4 | -59.3 | -65.1 | 0 | 0 | 109.5 | R262 W263 A265 Q286 E287 I288 | R262-M275 CarbonylContact C-O 3.55Å; R262-M275 WeakPolarHBondContact CA-O 3.45Å; R262-M275 WeakPolarHBondContact CB-O 3.28Å; W263-M275 HydrophobicContact CD2-CB 3.77Å; W263-M275 HydrophobicContact CE3-CB 4.2Å; W263-M275 HydrophobicContact CG-CB 4.36Å; W263-M275 HydrophobicContact CH2-CB 3.84Å; W263-M275 HydrophobicContact CZ2-CB 3.36Å; W263-M275 HydrophobicContact CZ2-CG 4.08Å; W263-M275 HydrophobicContact CZ3-CB 4.24Å; W263-M275 PolarHBondContact N-O 2.84Å; W263-M275 PolarHBondContact O-N 2.72Å; A265-M275 HydrophobicContact CB-CG 3.81Å; A265-M275 HydrophobicContact CB-SD 4.42Å; M275-Q286 HydrophobicContact CE-CB 3.87Å; M275-E287 CarbonylContact C-O 3.47Å; M275-E287 VanDerWaalsContact CA-O 3.29Å; M275-E287 WeakPolarHBondContact CA-O 3.39Å; M275-I288 HydrophobicContact CE-CG1 4.44Å; M275-I288 HydrophobicContact SD-CG1 3.67Å |
| 276 | E | 98 | Very high | 94.1 | Very high | 35 Ų | 35 | 66.9 Ų | 66.9 | 16% | 0.164 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 135.7 | 171.7 | -174.8 | 167.1 | 172.6 | 0 | 0 | 109 | A261 R262 I278 Q286 E287 S289 | A261-E276 WeakPolarHBondContact O-CA 3.29Å; R262-E276 HydrophobicContact CG-CB 3.97Å; R262-E276 HydrophobicContact CG-CG 3.89Å; R262-E276 IonicContact CZ-OE2 3.64Å; R262-E276 VanDerWaalsContact CZ-OE2 3.27Å; R262-E276 IonicContact NE-OE1 3.13Å; R262-E276 IonicContact NE-OE2 3.15Å; R262-E276 PolarHBondContact NE-OE2 2.75Å; R262-E276 IonicContact NH2-OE1 3.72Å; R262-E276 IonicContact NH2-OE2 2.62Å; R262-E276 PolarHBondContact NH2-OE2 2.71Å; E276-I278 HydrophobicContact CB-CG1 4.35Å; E276-I278 HydrophobicContact CG-CG1 3.99Å; E276-I278 PolarHBondContact O-N 2.8Å; E276-Q286 WeakPolarHBondContact O-CA 2.8Å; E276-E287 PolarHBondContact N-O 2.94Å; E276-E287 PolarHBondContact O-N 3.12Å; E276-S289 VanDerWaalsContact OE2-CB 3.24Å; E276-S289 WeakPolarHBondContact OE2-CB 3.33Å |
| 277 | C | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 105.1 | 172.5 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | C246 F257 F259 G260 A261 W263 | C246-C277 HydrophobicContact CB-CB 3.67Å; C246-C277 WeakPolarHBondContact CB-SG 3.49Å; C246-C277 PolarHBondContact N-SG 3.42Å; C246-C277 VanDerWaalsContact SG-CA 3.55Å; C246-C277 WeakPolarHBondContact SG-CB 3.5Å; C246-C277 CovalentContact SG-SG 2.05Å; C246-C277 PolarHBondContact SG-SG 3.27Å; F257-C277 HydrophobicContact CB-CB 4.36Å; F259-C277 WeakPolarHBondContact CA-O 3.36Å; G260-C277 PolarHBondContact N-O 2.97Å; A261-C277 PolarHBondContact O-N 3.38Å; W263-C277 HydrophobicContact CH2-CB 4.16Å; W263-C277 HydrophobicContact CZ3-CB 3.83Å |
| 278 | I | 98 | Very high | 95.4 | Very high | 64 Ų | 64 | 57.3 Ų | 57.3 | 33% | 0.328 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 130.4 | -179.1 | -57.2 | -179.2 | 0 | 0 | 0 | 108 | E276 A284 S285 E287 | E276-I278 HydrophobicContact CB-CG1 4.35Å; E276-I278 HydrophobicContact CG-CG1 3.99Å; E276-I278 PolarHBondContact O-N 2.8Å; I278-A284 CarbonylContact O-C 3.51Å; I278-A284 WeakPolarHBondContact O-CA 3.31Å; I278-S285 PolarHBondContact N-O 2.66Å; I278-S285 PolarHBondContact O-N 2.88Å; I278-S285 PolarHBondContact O-OG 2.76Å; I278-E287 HydrophobicContact CD1-CB 3.8Å; I278-E287 HydrophobicContact CD1-CG 3.97Å |
| 279 | G | 97.6 | Very high | 96.3 | Very high | 26 Ų | 26 | 53 Ų | 53 | 27% | 0.268 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 164 | -167.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | H283 | G279-H283 CarbonylContact C-O 3.53Å; G279-H283 WeakPolarHBondContact CA-O 3.02Å |
| 280 | N | 97.8 | Very high | 96.8 | Very high | 65 Ų | 65 | 51 Ų | 51 | 35% | 0.348 | 25% | 0.249 | S | C | . | . | trans | -154.6 | -168.4 | 174.7 | 59.8 | 39.6 | 0 | 0 | 0 | 108.6 | F259 R282 H283 | F259-N280 WeakPolarHBondContact CE2-O 3.35Å; F259-N280 VanDerWaalsContact CZ-C 3.46Å; F259-N280 WeakPolarHBondContact CZ-O 3.37Å; N280-R282 PolarHBondContact O-N 3.34Å; N280-R282 WeakPolarHBondContact OD1-CA 3.16Å; N280-R282 WeakPolarHBondContact OD1-CB 3.44Å; N280-R282 PolarHBondContact OD1-N 2.87Å; N280-H283 PolarHBondContact N-O 3.39Å; N280-H283 PolarHBondContact ND2-CE1 3.39Å; N280-H283 PolarHBondContact ND2-NE2 3.46Å; N280-H283 PolarHBondContact O-N 2.99Å; N280-H283 PolarHBondContact OD1-N 3.39Å; N280-H283 VanDerWaalsContact OD1-N 3.1Å | ||
| 281 | E | 97.4 | Very high | 97.1 | Very high | 60 Ų | 60 | 47 Ų | 47 | 28% | 0.28 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -64.4 | -10.3 | -177.4 | -64.3 | -159.1 | 153.9 | 0 | 0 | 116.1 | R233 R235 V242 L243 | R233-E281 WeakPolarHBondContact CD-OE1 3.38Å; R233-E281 IonicContact CZ-OE1 3.44Å; R233-E281 IonicContact CZ-OE2 3.22Å; R233-E281 IonicContact NE-OE1 3.38Å; R233-E281 IonicContact NH1-OE1 2.71Å; R233-E281 PolarHBondContact NH1-OE1 3.46Å; R233-E281 IonicContact NH1-OE2 2.74Å; R233-E281 PolarHBondContact NH1-OE2 3.37Å; R235-E281 IonicContact NH2-OE2 3.92Å; V242-E281 HydrophobicContact CB-CB 3.99Å; V242-E281 HydrophobicContact CB-CG 4.21Å; V242-E281 HydrophobicContact CG1-CB 4.31Å; V242-E281 HydrophobicContact CG2-CG 4.37Å; L243-E281 PolarHBondContact N-O 2.76Å; L243-E281 WeakPolarHBondContact O-CA 3.14Å |
| 282 | R | 97.3 | Very high | 97.3 | Very high | 228 Ų | 228 | 46.4 Ų | 46.4 | 86% | 0.86 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -111.4 | -31.1 | -177.3 | -60.5 | -175 | 179.5 | -160.1 | -0 | 113.3 | N280 | N280-R282 PolarHBondContact O-N 3.34Å; N280-R282 WeakPolarHBondContact OD1-CA 3.16Å; N280-R282 WeakPolarHBondContact OD1-CB 3.44Å; N280-R282 PolarHBondContact OD1-N 2.87Å |
| 283 | H | 97.9 | Very high | 97.3 | Very high | 108 Ų | 108 | 46.3 Ų | 46.3 | 50% | 0.5 | 23% | 0.226 | S | C | . | . | trans | -138.9 | 146.3 | -179.8 | 64 | 58.2 | 0 | 0 | 0 | 111.2 | G279 N280 | G279-H283 CarbonylContact C-O 3.53Å; G279-H283 WeakPolarHBondContact CA-O 3.02Å; N280-H283 PolarHBondContact N-O 3.39Å; N280-H283 PolarHBondContact ND2-CE1 3.39Å; N280-H283 PolarHBondContact ND2-NE2 3.46Å; N280-H283 PolarHBondContact O-N 2.99Å; N280-H283 PolarHBondContact OD1-N 3.39Å; N280-H283 VanDerWaalsContact OD1-N 3.1Å | ||
| 284 | A | 98.1 | Very high | 97.1 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 11% | 0.107 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 134.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y228 L243 F259 I278 | Y228-A284 HydrophobicContact CD1-CB 3.58Å; Y228-A284 HydrophobicContact CE1-CB 3.52Å; Y228-A284 WeakPolarHBondContact CE1-O 3.48Å; Y228-A284 PolarHBondContact OH-O 3.15Å; L243-A284 HydrophobicContact CD1-CB 4Å; L243-A284 HydrophobicContact CD2-CB 4.15Å; F259-A284 HydrophobicContact CE1-CB 3.81Å; F259-A284 HydrophobicContact CZ-CB 4.43Å; I278-A284 CarbonylContact O-C 3.51Å; I278-A284 WeakPolarHBondContact O-CA 3.31Å |
| 285 | S | 97.5 | Very high | 96.7 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 29% | 0.287 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 155.5 | 173.8 | 60.4 | 0 | 0 | 0 | 0 | 110.1 | C246 I278 | C246-S285 PolarHBondContact SG-O 3.12Å; I278-S285 PolarHBondContact N-O 2.66Å; I278-S285 PolarHBondContact O-N 2.88Å; I278-S285 PolarHBondContact O-OG 2.76Å |
| 286 | Q | 96.9 | Very high | 96.3 | Very high | 72 Ų | 72 | 59 Ų | 59 | 34% | 0.336 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 123 | 171 | -56.9 | -177.3 | 28.9 | 0 | 0 | 107.4 | G227 C246 V247 W263 M275 E276 | G227-Q286 PolarHBondContact O-NE2 2.68Å; C246-Q286 HydrophobicContact CB-CG 3.76Å; V247-Q286 PolarHBondContact O-NE2 3.22Å; W263-Q286 HydrophobicContact CH2-CB 4.44Å; W263-Q286 HydrophobicContact CH2-CG 4.14Å; W263-Q286 HydrophobicContact CZ2-CG 4.41Å; M275-Q286 HydrophobicContact CE-CB 3.87Å; E276-Q286 WeakPolarHBondContact O-CA 2.8Å |
| 287 | E | 96.3 | Very high | 95.7 | Very high | 72 Ų | 72 | 63.3 Ų | 63.3 | 34% | 0.336 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 149.8 | -178.6 | -67.1 | -166.6 | -148.9 | 0 | 0 | 111.6 | M275 E276 I278 S289 R320 | M275-E287 CarbonylContact C-O 3.47Å; M275-E287 VanDerWaalsContact CA-O 3.29Å; M275-E287 WeakPolarHBondContact CA-O 3.39Å; E276-E287 PolarHBondContact N-O 2.94Å; E276-E287 PolarHBondContact O-N 3.12Å; I278-E287 HydrophobicContact CD1-CB 3.8Å; I278-E287 HydrophobicContact CD1-CG 3.97Å; E287-S289 PolarHBondContact O-N 2.79Å; E287-R320 IonicContact OE2-NH2 3.86Å; E287-R320 PolarHBondContact OE2-NH2 3.26Å |
| 288 | I | 97 | Very high | 95.4 | Very high | 44 Ų | 44 | 64.8 Ų | 64.8 | 23% | 0.226 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 116 | 170.1 | -63.5 | 167.6 | 0 | 0 | 0 | 107.6 | Y273 M274 M275 V304 V326 | Y273-I288 HydrophobicContact CD1-CD1 4.11Å; Y273-I288 HydrophobicContact CD1-CG2 3.77Å; Y273-I288 HydrophobicContact CG-CD1 4.25Å; Y273-I288 HydrophobicContact CG-CG2 4.34Å; M274-I288 CarbonylContact O-C 3.49Å; M274-I288 WeakPolarHBondContact O-CA 3.05Å; M275-I288 HydrophobicContact CE-CG1 4.44Å; M275-I288 HydrophobicContact SD-CG1 3.67Å; I288-V304 HydrophobicContact CG2-CG2 4.17Å; I288-V304 VanDerWaalsContact O-CG2 3.31Å; I288-V304 WeakPolarHBondContact O-CG2 3.02Å; I288-V326 HydrophobicContact CB-CB 4.18Å; I288-V326 HydrophobicContact CB-CG1 4.4Å; I288-V326 HydrophobicContact CB-CG2 4.06Å; I288-V326 HydrophobicContact CD1-CB 3.91Å; I288-V326 HydrophobicContact CD1-CG2 4.42Å; I288-V326 HydrophobicContact CG2-CB 4.04Å; I288-V326 HydrophobicContact CG2-CG1 3.73Å; I288-V326 HydrophobicContact CG2-CG2 4.27Å |
| 289 | S | 97.5 | Very high | 95.2 | Very high | 16 Ų | 16 | 67.9 Ų | 67.9 | 11% | 0.112 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -32.7 | 178.2 | 60.3 | 0 | 0 | 0 | 0 | 112.4 | M274 E276 E287 P303 V304 | M274-S289 PolarHBondContact O-N 3.19Å; M274-S289 PolarHBondContact O-OG 3.2Å; E276-S289 VanDerWaalsContact OE2-CB 3.24Å; E276-S289 WeakPolarHBondContact OE2-CB 3.33Å; E287-S289 PolarHBondContact O-N 2.79Å; S289-P303 WeakPolarHBondContact O-CA 3.08Å; S289-V304 PolarHBondContact O-N 2.9Å |
| 290 | H | 98 | Very high | 95.1 | Very high | 25 Ų | 25 | 70.4 Ų | 70.4 | 12% | 0.116 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 151.9 | -178 | -54.7 | 65.3 | 0 | 0 | 0 | 111.5 | R262 M274 I301 T302 P303 | R262-H290 PolarHBondContact NH1-CE1 2.59Å; M274-H290 HydrophobicContact CB-CB 3.96Å; M274-H290 HydrophobicContact CG-CB 4.2Å; M274-H290 PolarHBondContact N-O 2.05Å; M274-H290 PolarHBondContact O-N 2.91Å; M274-H290 HydrophobicContact SD-CB 4.01Å; H290-I301 HydrophobicContact CB-CG2 3.6Å; H290-T302 VanDerWaalsContact CA-O 3.28Å; H290-T302 WeakPolarHBondContact CA-O 3.33Å; H290-T302 WeakPolarHBondContact CB-O 3.47Å; H290-P303 VanDerWaalsContact CD2-CA 3.48Å; H290-P303 WeakPolarHBondContact CD2-CA 3.45Å |
| 291 | C | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 148.2 | 162.5 | -56.5 | 0 | 0 | 0 | 0 | 108.8 | I301 T302 F316 C318 | C291-I301 WeakPolarHBondContact O-CA 3.46Å; C291-T302 PolarHBondContact N-O 2.94Å; C291-T302 PolarHBondContact O-N 3.12Å; C291-F316 VanDerWaalsContact C-CZ 3.48Å; C291-F316 HydrophobicContact CB-CE1 4.39Å; C291-F316 HydrophobicContact CB-CE2 4.06Å; C291-F316 HydrophobicContact CB-CZ 3.49Å; C291-F316 VanDerWaalsContact CB-CZ 3.49Å; C291-F316 WeakPolarHBondContact O-CE1 3.32Å; C291-F316 WeakPolarHBondContact O-CZ 3.35Å; C291-C318 HydrophobicContact CB-CB 3.49Å; C291-C318 VanDerWaalsContact CB-CB 3.49Å; C291-C318 WeakPolarHBondContact CB-SG 3.31Å; C291-C318 PolarHBondContact N-SG 3.31Å; C291-C318 VanDerWaalsContact SG-CA 3.53Å; C291-C318 WeakPolarHBondContact SG-CB 3.49Å; C291-C318 CovalentContact SG-SG 2.03Å; C291-C318 PolarHBondContact SG-SG 3.26Å |
| 292 | V | 96.7 | Very high | 95 | Very high | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.024 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 132.1 | -179.5 | -174.1 | 0 | 0 | 0 | 0 | 108 | F264 I271 G272 M274 R299 K300 I301 | F264-V292 HydrophobicContact CD1-CG2 3.97Å; F264-V292 HydrophobicContact CE1-CG2 3.73Å; I271-V292 CarbonylContact C-O 3.53Å; I271-V292 WeakPolarHBondContact CA-O 3.46Å; G272-V292 PolarHBondContact N-O 2.77Å; G272-V292 PolarHBondContact O-N 2.73Å; M274-V292 HydrophobicContact CG-CG2 3.74Å; M274-V292 HydrophobicContact SD-CG2 4.42Å; V292-R299 HydrophobicContact CG1-CG 3.88Å; V292-K300 WeakPolarHBondContact CA-O 3.39Å; V292-I301 HydrophobicContact CG1-CG1 4.26Å; V292-I301 HydrophobicContact CG2-CG1 4.27Å; V292-I301 HydrophobicContact CG2-CG2 4.5Å |
| 293 | V | 95.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 138.4 | 168.6 | 61.9 | 0 | 0 | 0 | 0 | 109.1 | I271 E295 R299 K300 Y310 F316 | I271-V293 HydrophobicContact CD1-CB 3.96Å; I271-V293 HydrophobicContact CD1-CG2 3.94Å; V293-E295 HydrophobicContact CG2-CG 4.17Å; V293-R299 WeakPolarHBondContact O-CA 3.43Å; V293-K300 HydrophobicContact CG1-CB 3.85Å; V293-K300 PolarHBondContact N-O 2.8Å; V293-K300 PolarHBondContact O-N 3.33Å; V293-Y310 HydrophobicContact CG1-CD2 3.69Å; V293-Y310 HydrophobicContact CG1-CE2 3.5Å; V293-Y310 HydrophobicContact CG1-CG 4.41Å; V293-F316 HydrophobicContact CB-CD1 4.49Å; V293-F316 HydrophobicContact CB-CD2 4.1Å; V293-F316 HydrophobicContact CB-CE1 4.29Å; V293-F316 HydrophobicContact CB-CE2 3.94Å; V293-F316 HydrophobicContact CB-CG 4.38Å; V293-F316 HydrophobicContact CB-CZ 4.01Å; V293-F316 HydrophobicContact CG1-CB 4.33Å; V293-F316 HydrophobicContact CG1-CD1 3.66Å; V293-F316 HydrophobicContact CG1-CD2 3.93Å; V293-F316 HydrophobicContact CG1-CE1 3.8Å; V293-F316 HydrophobicContact CG1-CE2 4.12Å; V293-F316 HydrophobicContact CG1-CG 3.71Å; V293-F316 HydrophobicContact CG1-CZ 4.03Å |
| 294 | N | 91.1 | Very high | 95.1 | Very high | 98 Ų | 98 | 56 Ų | 56 | 52% | 0.524 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 88.3 | 175.8 | -166.6 | 17 | 0 | 0 | 0 | 109.8 | I270 | I270-N294 PolarHBondContact O-N 3.3Å |
| 295 | E | 89.5 | Confident | 95 | Very high | 60 Ų | 60 | 56.7 Ų | 56.7 | 28% | 0.28 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | -166.9 | 173.6 | -74.6 | -152.4 | 141.5 | 0 | 0 | 110.8 | I270 V293 F297 G298 Y310 K314 L330 | I270-E295 HydrophobicContact CB-CG 4.27Å; I270-E295 HydrophobicContact CD1-CG 4.2Å; I270-E295 WeakPolarHBondContact CD1-OE1 3.26Å; I270-E295 HydrophobicContact CG2-CG 4.34Å; V293-E295 HydrophobicContact CG2-CG 4.17Å; E295-F297 PolarHBondContact O-N 2.87Å; E295-F297 VanDerWaalsContact O-N 3.07Å; E295-G298 PolarHBondContact O-N 2.76Å; E295-Y310 WeakPolarHBondContact CA-OH 3.38Å; E295-Y310 HydrophobicContact CB-CE1 3.89Å; E295-Y310 VanDerWaalsContact CB-OH 3.31Å; E295-Y310 WeakPolarHBondContact CB-OH 3.46Å; E295-Y310 PolarHBondContact N-OH 2.87Å; E295-Y310 PolarHBondContact O-OH 2.79Å; E295-K314 IonicContact OE2-NZ 3.27Å; E295-K314 PolarHBondContact OE2-NZ 2.86Å; E295-K314 VanDerWaalsContact OE2-NZ 3.13Å; E295-L330 WeakPolarHBondContact OE2-CD2 3.25Å |
| 296 | K | 87.6 | Confident | 95.1 | Very high | 208 Ų | 208 | 54.8 Ų | 54.8 | 90% | 0.904 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -31.2 | -176.6 | -61.4 | -177.6 | -179.4 | -178.5 | 0 | 114.7 | G298 | K296-G298 PolarHBondContact O-N 3.39Š|
| 297 | F | 87 | Confident | 95.1 | Very high | 126 Ų | 126 | 51.4 Ų | 51.4 | 55% | 0.553 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 11.2 | 179.3 | -59.9 | -69.6 | 0 | 0 | 0 | 113.2 | E295 Y310 | E295-F297 PolarHBondContact O-N 2.87Å; E295-F297 VanDerWaalsContact O-N 3.07Å; F297-Y310 HydrophobicContact CB-CE1 3.99Å; F297-Y310 HydrophobicContact CB-CE2 4.4Å; F297-Y310 HydrophobicContact CD2-CD1 4.08Å; F297-Y310 AromaticContact CD2-CE1 3.8Å; F297-Y310 HydrophobicContact CD2-CE1 3.8Å; F297-Y310 HydrophobicContact CG-CE1 4.4Å |
| 298 | G | 90.6 | Very high | 95.2 | Very high | 31 Ų | 31 | 48.3 Ų | 48.3 | 32% | 0.32 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 87.5 | -172 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | E295 K296 Y310 | E295-G298 PolarHBondContact O-N 2.76Å; K296-G298 PolarHBondContact O-N 3.39Å; G298-Y310 WeakPolarHBondContact O-CE2 2.98Å; G298-Y310 PolarHBondContact O-OH 2.86Å |
| 299 | R | 93.8 | Very high | 95.2 | Very high | 129 Ų | 129 | 49 Ų | 49 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 125.9 | -177 | -169 | -174.5 | -158.3 | 174 | 13.8 | 111.1 | F264 V292 V293 I301 | F264-R299 VanDerWaalsContact CZ-NH1 3.25Å; V292-R299 HydrophobicContact CG1-CG 3.88Å; V293-R299 WeakPolarHBondContact O-CA 3.43Å; R299-I301 HydrophobicContact CG-CG1 4.5Å |
| 300 | K | 95.6 | Very high | 95.1 | Very high | 79 Ų | 79 | 48.5 Ų | 48.5 | 34% | 0.343 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 140.7 | 169.3 | -169.3 | 76 | 171.4 | -172.2 | 0 | 109.8 | V292 V293 T308 Y310 F316 | V292-K300 WeakPolarHBondContact CA-O 3.39Å; V293-K300 HydrophobicContact CG1-CB 3.85Å; V293-K300 PolarHBondContact N-O 2.8Å; V293-K300 PolarHBondContact O-N 3.33Å; K300-T308 HydrophobicContact CD-CG2 4.22Å; K300-T308 WeakPolarHBondContact CE-OG1 3.39Å; K300-T308 HydrophobicContact CG-CG2 3.83Å; K300-Y310 HydrophobicContact CB-CD2 3.65Å; K300-Y310 HydrophobicContact CB-CE2 3.72Å; K300-Y310 HydrophobicContact CG-CD2 4.23Å; K300-F316 HydrophobicContact CB-CD1 4.33Å; K300-F316 HydrophobicContact CG-CD1 4.1Å |
| 301 | I | 96.7 | Very high | 94.9 | Very high | 67 Ų | 67 | 49.1 Ų | 49.1 | 34% | 0.344 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.5 | -180 | -55.5 | 175.8 | 0 | 0 | 0 | 106.8 | F264 M274 H290 C291 V292 R299 | F264-I301 HydrophobicContact CE1-CD1 4.1Å; F264-I301 HydrophobicContact CZ-CD1 3.95Å; M274-I301 HydrophobicContact SD-CD1 4.02Å; M274-I301 HydrophobicContact SD-CG2 3.59Å; M274-I301 VanDerWaalsContact SD-CG2 3.59Å; H290-I301 HydrophobicContact CB-CG2 3.6Å; C291-I301 WeakPolarHBondContact O-CA 3.46Å; V292-I301 HydrophobicContact CG1-CG1 4.26Å; V292-I301 HydrophobicContact CG2-CG1 4.27Å; V292-I301 HydrophobicContact CG2-CG2 4.5Å; R299-I301 HydrophobicContact CG-CG1 4.5Å |
| 302 | T | 97.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 134.7 | 177.1 | -163.4 | 0 | 0 | 0 | 0 | 110.6 | H290 C291 C306 F316 C318 | H290-T302 VanDerWaalsContact CA-O 3.28Å; H290-T302 WeakPolarHBondContact CA-O 3.33Å; H290-T302 WeakPolarHBondContact CB-O 3.47Å; C291-T302 PolarHBondContact N-O 2.94Å; C291-T302 PolarHBondContact O-N 3.12Å; T302-C306 VanDerWaalsContact OG1-CB 3.3Å; T302-C306 WeakPolarHBondContact OG1-CB 3.4Å; T302-F316 HydrophobicContact CG2-CD1 3.66Å; T302-F316 HydrophobicContact CG2-CE1 3.45Å; T302-F316 VanDerWaalsContact CG2-CE1 3.45Å; T302-F316 HydrophobicContact CG2-CG 4.39Å; T302-F316 HydrophobicContact CG2-CZ 4Å; T302-C318 HydrophobicContact CG2-CB 3.46Å; T302-C318 VanDerWaalsContact CG2-CB 3.46Å |
| 303 | P | 98.2 | Very high | 94.5 | Very high | 47 Ų | 47 | 57.4 Ų | 57.4 | 31% | 0.305 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 156.2 | 178.5 | -20 | 29.9 | 0 | 0 | 0 | 112.6 | S289 H290 G305 C306 | S289-P303 WeakPolarHBondContact O-CA 3.08Å; H290-P303 VanDerWaalsContact CD2-CA 3.48Å; H290-P303 WeakPolarHBondContact CD2-CA 3.45Å; P303-G305 PolarHBondContact O-N 2.98Å; P303-C306 HydrophobicContact CB-CB 4.42Å; P303-C306 VanDerWaalsContact O-CB 3.29Å; P303-C306 WeakPolarHBondContact O-CB 3.28Å; P303-C306 PolarHBondContact O-N 2.84Å |
| 304 | V | 98 | Very high | 94.6 | Very high | 40 Ų | 40 | 59.6 Ų | 59.6 | 24% | 0.242 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 132.5 | 169.3 | 178.2 | 0 | 0 | 0 | 0 | 110.3 | I288 S289 R320 V326 | I288-V304 HydrophobicContact CG2-CG2 4.17Å; I288-V304 VanDerWaalsContact O-CG2 3.31Å; I288-V304 WeakPolarHBondContact O-CG2 3.02Å; S289-V304 PolarHBondContact O-N 2.9Å; V304-R320 HydrophobicContact CG1-CB 4.14Å; V304-V326 HydrophobicContact CG1-CG2 4.19Å; V304-V326 HydrophobicContact CG2-CG1 3.74Å; V304-V326 HydrophobicContact CG2-CG2 4Å |
| 305 | G | 97.8 | Very high | 94.9 | Very high | 28 Ų | 28 | 54.9 Ų | 54.9 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | -3.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P303 C318 V348 R349 | P303-G305 PolarHBondContact O-N 2.98Å; G305-C318 PolarHBondContact N-O 3.16Å; G305-V348 WeakPolarHBondContact O-CB 3.3Å; G305-R349 WeakPolarHBondContact O-CG 3.36Å; G305-R349 PolarHBondContact O-N 3.13Å |
| 306 | C | 98.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 154.8 | -179.7 | -73.9 | 0 | 0 | 0 | 0 | 113.1 | T302 P303 C318 R349 C351 | T302-C306 VanDerWaalsContact OG1-CB 3.3Å; T302-C306 WeakPolarHBondContact OG1-CB 3.4Å; P303-C306 HydrophobicContact CB-CB 4.42Å; P303-C306 VanDerWaalsContact O-CB 3.29Å; P303-C306 WeakPolarHBondContact O-CB 3.28Å; P303-C306 PolarHBondContact O-N 2.84Å; C306-C318 PolarHBondContact O-N 2.95Å; C306-R349 CarbonylContact C-O 3.45Å; C306-R349 VanDerWaalsContact CA-O 3.32Å; C306-R349 WeakPolarHBondContact CA-O 3.24Å; C306-C351 HydrophobicContact CB-CB 3.51Å; C306-C351 WeakPolarHBondContact CB-SG 3.44Å; C306-C351 WeakPolarHBondContact SG-CB 3.43Å; C306-C351 CovalentContact SG-SG 2.04Å; C306-C351 PolarHBondContact SG-SG 2.77Å |
| 307 | G | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 149.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | F316 R349 F350 C351 | G307-F316 CarbonylContact C-O 3.47Å; G307-F316 VanDerWaalsContact CA-O 3.24Å; G307-F316 WeakPolarHBondContact CA-O 3.21Å; G307-R349 PolarHBondContact N-O 3.43Å; G307-F350 WeakPolarHBondContact O-CA 3.21Å; G307-C351 PolarHBondContact O-N 2.76Å |
| 308 | T | 97.4 | Very high | 96.3 | Very high | 8 Ų | 8 | 36.2 Ų | 36.2 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 163.5 | -174.1 | -161.7 | 0 | 0 | 0 | 0 | 110.2 | K300 I315 F316 C351 | K300-T308 HydrophobicContact CD-CG2 4.22Å; K300-T308 WeakPolarHBondContact CE-OG1 3.39Å; K300-T308 HydrophobicContact CG-CG2 3.83Å; T308-I315 CarbonylContact O-C 3.53Å; T308-I315 WeakPolarHBondContact O-CA 3.23Å; T308-F316 HydrophobicContact CG2-CB 4.2Å; T308-F316 HydrophobicContact CG2-CD1 4.25Å; T308-F316 PolarHBondContact N-O 2.98Å; T308-F316 PolarHBondContact O-N 3.32Å; T308-C351 WeakPolarHBondContact CA-OXT 3.44Å; T308-C351 WeakPolarHBondContact CB-OXT 3.42Å; T308-C351 PolarHBondContact OG1-OXT 3.41Å |
| 309 | T | 96.7 | Very high | 96.6 | Very high | 57 Ų | 57 | 37.4 Ų | 37.4 | 35% | 0.35 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 146.5 | 173.6 | 50 | 0 | 0 | 0 | 0 | 111.4 | P339 | T309-P339 HydrophobicContact CG2-CB 3.59Å; T309-P339 HydrophobicContact CG2-CG 3.9Å |
| 310 | Y | 95.6 | Very high | 96.7 | Very high | 7 Ų | 7 | 37.5 Ų | 37.5 | 3% | 0.027 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 93.8 | 175.5 | -168.6 | -95 | 0 | 0 | 0 | 109.9 | V293 E295 F297 G298 K300 K314 L330 | V293-Y310 HydrophobicContact CG1-CD2 3.69Å; V293-Y310 HydrophobicContact CG1-CE2 3.5Å; V293-Y310 HydrophobicContact CG1-CG 4.41Å; E295-Y310 WeakPolarHBondContact CA-OH 3.38Å; E295-Y310 HydrophobicContact CB-CE1 3.89Å; E295-Y310 VanDerWaalsContact CB-OH 3.31Å; E295-Y310 WeakPolarHBondContact CB-OH 3.46Å; E295-Y310 PolarHBondContact N-OH 2.87Å; E295-Y310 PolarHBondContact O-OH 2.79Å; F297-Y310 HydrophobicContact CB-CE1 3.99Å; F297-Y310 HydrophobicContact CB-CE2 4.4Å; F297-Y310 HydrophobicContact CD2-CD1 4.08Å; F297-Y310 AromaticContact CD2-CE1 3.8Å; F297-Y310 HydrophobicContact CD2-CE1 3.8Å; F297-Y310 HydrophobicContact CG-CE1 4.4Å; G298-Y310 WeakPolarHBondContact O-CE2 2.98Å; G298-Y310 PolarHBondContact O-OH 2.86Å; K300-Y310 HydrophobicContact CB-CD2 3.65Å; K300-Y310 HydrophobicContact CB-CE2 3.72Å; K300-Y310 HydrophobicContact CG-CD2 4.23Å; Y310-K314 PolarHBondContact N-O 2.71Å; Y310-K314 WeakPolarHBondContact O-CB 3.46Å; Y310-L330 HydrophobicContact CD1-CD1 3.58Å; Y310-L330 HydrophobicContact CD1-CD2 4.44Å; Y310-L330 HydrophobicContact CE1-CD1 4.33Å; Y310-L330 HydrophobicContact CG-CD1 3.84Å |
| 311 | G | 93.6 | Very high | 96.7 | Very high | 38 Ų | 38 | 35.7 Ų | 35.7 | 39% | 0.392 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | -163.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 312 | A | 92 | Very high | 96.6 | Very high | 100 Ų | 100 | 44.7 Ų | 44.7 | 83% | 0.826 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -25.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 313 | D | 94.8 | Very high | 96.4 | Very high | 77 Ų | 77 | 51 Ų | 51 | 41% | 0.412 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | 3 | -166.4 | 67.6 | -35.9 | 0 | 0 | 0 | 113.7 | T332 I333 | D313-T332 CarbonylContact O-C 3.54Å; D313-T332 WeakPolarHBondContact O-CA 3.43Å; D313-I333 PolarHBondContact O-N 3.35Å |
| 314 | K | 96.5 | Very high | 96.2 | Very high | 46 Ų | 46 | 50.4 Ų | 50.4 | 20% | 0.2 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 155.3 | 178.3 | -47.8 | -176.5 | -171.7 | 178.8 | 0 | 113 | E295 Y310 L330 V331 | E295-K314 IonicContact OE2-NZ 3.27Å; E295-K314 PolarHBondContact OE2-NZ 2.86Å; E295-K314 VanDerWaalsContact OE2-NZ 3.13Å; Y310-K314 PolarHBondContact N-O 2.71Å; Y310-K314 WeakPolarHBondContact O-CB 3.46Å; K314-L330 HydrophobicContact CB-CD1 4.24Å; K314-L330 HydrophobicContact CB-CG 4.35Å; K314-L330 HydrophobicContact CD-CD1 4.26Å; K314-L330 HydrophobicContact CD-CD2 3.56Å; K314-L330 HydrophobicContact CD-CG 3.76Å; K314-V331 CarbonylContact C-O 3.58Å; K314-V331 WeakPolarHBondContact CA-O 3.5Å; K314-V331 WeakPolarHBondContact CB-O 3.22Å |
| 315 | I | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 148.1 | 165.6 | 59.7 | 166.6 | 0 | 0 | 0 | 109.5 | T308 T317 L330 V331 I333 P339 A342 I343 E346 | T308-I315 CarbonylContact O-C 3.53Å; T308-I315 WeakPolarHBondContact O-CA 3.23Å; I315-T317 HydrophobicContact CD1-CG2 3.95Å; I315-T317 HydrophobicContact CG1-CG2 4.44Å; I315-L330 WeakPolarHBondContact O-CA 3.14Å; I315-V331 HydrophobicContact CD1-CB 4.22Å; I315-V331 HydrophobicContact CG1-CB 3.81Å; I315-V331 PolarHBondContact N-O 3.48Å; I315-V331 PolarHBondContact O-N 2.86Å; I315-I333 HydrophobicContact CG2-CD1 3.87Å; I315-I333 HydrophobicContact CG2-CG1 3.87Å; I315-P339 HydrophobicContact CG2-CB 4.14Å; I315-A342 VanDerWaalsContact CD1-C 3.44Å; I315-A342 HydrophobicContact CD1-CB 3.66Å; I315-A342 HydrophobicContact CG1-CB 4.41Å; I315-A342 HydrophobicContact CG2-CB 4.33Å; I315-I343 HydrophobicContact CB-CD1 4.3Å; I315-I343 HydrophobicContact CB-CG1 3.94Å; I315-I343 HydrophobicContact CD1-CB 4.46Å; I315-I343 HydrophobicContact CD1-CG1 3.71Å; I315-I343 HydrophobicContact CG1-CG1 4.43Å; I315-I343 HydrophobicContact CG2-CD1 3.99Å; I315-I343 HydrophobicContact CG2-CG1 3.89Å; I315-E346 HydrophobicContact CD1-CG 4.26Å |
| 316 | F | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 121.7 | 171.8 | 174.6 | -134.2 | 0 | 0 | 0 | 109.4 | I271 C291 V293 K300 T302 G307 T308 G329 L330 | I271-F316 HydrophobicContact CD1-CE2 3.99Å; C291-F316 VanDerWaalsContact C-CZ 3.48Å; C291-F316 HydrophobicContact CB-CE1 4.39Å; C291-F316 HydrophobicContact CB-CE2 4.06Å; C291-F316 HydrophobicContact CB-CZ 3.49Å; C291-F316 VanDerWaalsContact CB-CZ 3.49Å; C291-F316 WeakPolarHBondContact O-CE1 3.32Å; C291-F316 WeakPolarHBondContact O-CZ 3.35Å; V293-F316 HydrophobicContact CB-CD1 4.49Å; V293-F316 HydrophobicContact CB-CD2 4.1Å; V293-F316 HydrophobicContact CB-CE1 4.29Å; V293-F316 HydrophobicContact CB-CE2 3.94Å; V293-F316 HydrophobicContact CB-CG 4.38Å; V293-F316 HydrophobicContact CB-CZ 4.01Å; V293-F316 HydrophobicContact CG1-CB 4.33Å; V293-F316 HydrophobicContact CG1-CD1 3.66Å; V293-F316 HydrophobicContact CG1-CD2 3.93Å; V293-F316 HydrophobicContact CG1-CE1 3.8Å; V293-F316 HydrophobicContact CG1-CE2 4.12Å; V293-F316 HydrophobicContact CG1-CG 3.71Å; V293-F316 HydrophobicContact CG1-CZ 4.03Å; K300-F316 HydrophobicContact CB-CD1 4.33Å; K300-F316 HydrophobicContact CG-CD1 4.1Å; T302-F316 HydrophobicContact CG2-CD1 3.66Å; T302-F316 HydrophobicContact CG2-CE1 3.45Å; T302-F316 VanDerWaalsContact CG2-CE1 3.45Å; T302-F316 HydrophobicContact CG2-CG 4.39Å; T302-F316 HydrophobicContact CG2-CZ 4Å; G307-F316 CarbonylContact C-O 3.47Å; G307-F316 VanDerWaalsContact CA-O 3.24Å; G307-F316 WeakPolarHBondContact CA-O 3.21Å; T308-F316 HydrophobicContact CG2-CB 4.2Å; T308-F316 HydrophobicContact CG2-CD1 4.25Å; T308-F316 PolarHBondContact N-O 2.98Å; T308-F316 PolarHBondContact O-N 3.32Å; F316-G329 WeakPolarHBondContact CA-O 3.37Å; F316-G329 WeakPolarHBondContact CD2-O 2.83Å; F316-L330 HydrophobicContact CB-CD1 4.17Å |
| 317 | T | 98 | Very high | 95.8 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 148.6 | -178.3 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | I315 G328 G329 E346 V348 | I315-T317 HydrophobicContact CD1-CG2 3.95Å; I315-T317 HydrophobicContact CG1-CG2 4.44Å; T317-G328 CarbonylContact O-C 3.48Å; T317-G328 VanDerWaalsContact O-CA 3.29Å; T317-G328 WeakPolarHBondContact O-CA 3.18Å; T317-G329 PolarHBondContact N-O 2.98Å; T317-G329 PolarHBondContact O-N 3.07Å; T317-G329 PolarHBondContact OG1-O 2.62Å; T317-E346 HydrophobicContact CG2-CB 3.98Å; T317-E346 HydrophobicContact CG2-CG 4.04Å; T317-V348 HydrophobicContact CG2-CG2 3.8Å |
| 318 | C | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 103 | 172 | -169.8 | 0 | 0 | 0 | 0 | 108.7 | C291 T302 G305 C306 | C291-C318 HydrophobicContact CB-CB 3.49Å; C291-C318 VanDerWaalsContact CB-CB 3.49Å; C291-C318 WeakPolarHBondContact CB-SG 3.31Å; C291-C318 PolarHBondContact N-SG 3.31Å; C291-C318 VanDerWaalsContact SG-CA 3.53Å; C291-C318 WeakPolarHBondContact SG-CB 3.49Å; C291-C318 CovalentContact SG-SG 2.03Å; C291-C318 PolarHBondContact SG-SG 3.26Å; T302-C318 HydrophobicContact CG2-CB 3.46Å; T302-C318 VanDerWaalsContact CG2-CB 3.46Å; G305-C318 PolarHBondContact N-O 3.16Å; C306-C318 PolarHBondContact O-N 2.95Å |
| 319 | K | 97 | Very high | 95.6 | Very high | 57 Ų | 57 | 61.7 Ų | 61.7 | 25% | 0.248 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 146.4 | -172.3 | 68.8 | -173.8 | 178.2 | -171.5 | 0 | 112 | V326 Q327 E346 V348 | K319-V326 CarbonylContact O-C 3.58Å; K319-V326 WeakPolarHBondContact O-CA 3.42Å; K319-Q327 PolarHBondContact N-O 2.02Å; K319-Q327 PolarHBondContact O-N 3.1Å; K319-E346 IonicContact NZ-OE2 2.77Å; K319-E346 PolarHBondContact NZ-OE2 3.44Å; K319-V348 HydrophobicContact CB-CG1 3.54Å |
| 320 | R | 97.1 | Very high | 95.5 | Very high | 130 Ų | 130 | 61 Ų | 61 | 49% | 0.491 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123.4 | 168.3 | -166.9 | 177 | -72.3 | -106.4 | 15.4 | 108.5 | E287 V304 G324 Y325 | E287-R320 IonicContact OE2-NH2 3.86Å; E287-R320 PolarHBondContact OE2-NH2 3.26Å; V304-R320 HydrophobicContact CG1-CB 4.14Å; R320-G324 WeakPolarHBondContact CG-O 3.25Å; R320-G324 PolarHBondContact NH1-O 2.84Å; R320-G324 VanDerWaalsContact NH1-O 3.08Å; R320-Y325 CarbonylContact C-O 3.53Å; R320-Y325 WeakPolarHBondContact CA-O 3.39Å |
| 321 | T | 95 | Very high | 95.5 | Very high | 42 Ų | 42 | 62.9 Ų | 62.9 | 26% | 0.258 | 33% | 0.328 | S | S | . | . | trans | -72 | 166.7 | 177.1 | 62.5 | 0 | 0 | 0 | 0 | 111 | D323 G324 Y325 Q327 | T321-D323 PolarHBondContact O-N 2.94Å; T321-G324 PolarHBondContact O-N 3.4Å; T321-Y325 PolarHBondContact N-O 3.49Å; T321-Y325 WeakPolarHBondContact OG1-CB 2.99Å; T321-Y325 PolarHBondContact OG1-N 3.37Å; T321-Y325 VanDerWaalsContact OG1-N 3.13Å; T321-Y325 PolarHBondContact OG1-O 2.84Å; T321-Q327 HydrophobicContact CG2-CB 4.4Å | ||
| 322 | R | 93.3 | Very high | 95.6 | Very high | 256 Ų | 256 | 65.3 Ų | 65.3 | 97% | 0.966 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -29.1 | 176.6 | -68.8 | -176.9 | 179.7 | 173.2 | -0.5 | 112.6 | G324 | R322-G324 PolarHBondContact O-N 2.88Š|
| 323 | D | 94.4 | Very high | 95.8 | Very high | 136 Ų | 136 | 61.9 Ų | 61.9 | 73% | 0.727 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 2.7 | 177.4 | -52.5 | -40.3 | 0 | 0 | 0 | 112.7 | T321 Y325 | T321-D323 PolarHBondContact O-N 2.94Å; D323-Y325 HydrophobicContact CB-CD2 3.77Å; D323-Y325 HydrophobicContact CB-CE2 3.88Å |
| 324 | G | 93.3 | Very high | 95.8 | Very high | 34 Ų | 34 | 65.2 Ų | 65.2 | 35% | 0.351 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 90.2 | -9.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R320 T321 R322 | R320-G324 WeakPolarHBondContact CG-O 3.25Å; R320-G324 PolarHBondContact NH1-O 2.84Å; R320-G324 VanDerWaalsContact NH1-O 3.08Å; T321-G324 PolarHBondContact O-N 3.4Å; R322-G324 PolarHBondContact O-N 2.88Å |
| 325 | Y | 94.9 | Very high | 95.7 | Very high | 172 Ų | 172 | 73.3 Ų | 73.3 | 68% | 0.675 | 35% | 0.349 | S | S | * | . | trans | -69.5 | 147.3 | 175.6 | -59.8 | -77.3 | 0 | 0 | 0 | 112.1 | R320 T321 D323 | R320-Y325 CarbonylContact C-O 3.53Å; R320-Y325 WeakPolarHBondContact CA-O 3.39Å; T321-Y325 PolarHBondContact N-O 3.49Å; T321-Y325 WeakPolarHBondContact OG1-CB 2.99Å; T321-Y325 PolarHBondContact OG1-N 3.37Å; T321-Y325 VanDerWaalsContact OG1-N 3.13Å; T321-Y325 PolarHBondContact OG1-O 2.84Å; D323-Y325 HydrophobicContact CB-CD2 3.77Å; D323-Y325 HydrophobicContact CB-CE2 3.88Å | ||
| 326 | V | 96.4 | Very high | 95.5 | Very high | 16 Ų | 16 | 77.1 Ų | 77.1 | 10% | 0.097 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 131.1 | 172.4 | 177.5 | 0 | 0 | 0 | 0 | 109.8 | Y273 I288 V304 K319 | Y273-V326 HydrophobicContact CE1-CG1 4.39Å; I288-V326 HydrophobicContact CB-CB 4.18Å; I288-V326 HydrophobicContact CB-CG1 4.4Å; I288-V326 HydrophobicContact CB-CG2 4.06Å; I288-V326 HydrophobicContact CD1-CB 3.91Å; I288-V326 HydrophobicContact CD1-CG2 4.42Å; I288-V326 HydrophobicContact CG2-CB 4.04Å; I288-V326 HydrophobicContact CG2-CG1 3.73Å; I288-V326 HydrophobicContact CG2-CG2 4.27Å; V304-V326 HydrophobicContact CG1-CG2 4.19Å; V304-V326 HydrophobicContact CG2-CG1 3.74Å; V304-V326 HydrophobicContact CG2-CG2 4Å; K319-V326 CarbonylContact O-C 3.58Å; K319-V326 WeakPolarHBondContact O-CA 3.42Å |
| 327 | Q | 95.5 | Very high | 95.3 | Very high | 100 Ų | 100 | 83 Ų | 83 | 47% | 0.467 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 122.7 | 178.8 | -173.9 | 179.8 | 5.4 | 0 | 0 | 110.2 | K319 T321 | K319-Q327 PolarHBondContact N-O 2.02Å; K319-Q327 PolarHBondContact O-N 3.1Å; T321-Q327 HydrophobicContact CG2-CB 4.4Å |
| 328 | G | 96 | Very high | 95.2 | Very high | 10 Ų | 10 | 85.1 Ų | 85.1 | 10% | 0.103 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 138.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | T317 | T317-G328 CarbonylContact O-C 3.48Å; T317-G328 VanDerWaalsContact O-CA 3.29Å; T317-G328 WeakPolarHBondContact O-CA 3.18Å |
| 329 | G | 95.3 | Very high | 95.1 | Very high | 17 Ų | 17 | 87.3 Ų | 87.3 | 18% | 0.175 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 137.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F316 T317 | F316-G329 WeakPolarHBondContact CA-O 3.37Å; F316-G329 WeakPolarHBondContact CD2-O 2.83Å; T317-G329 PolarHBondContact N-O 2.98Å; T317-G329 PolarHBondContact O-N 3.07Å; T317-G329 PolarHBondContact OG1-O 2.62Å |
| 330 | L | 95.3 | Very high | 95.1 | Very high | 43 Ų | 43 | 91 Ų | 91 | 23% | 0.225 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 112.2 | 171.1 | -166.1 | 74.2 | 0 | 0 | 0 | 108.4 | I270 E295 Y310 K314 I315 F316 | I270-L330 HydrophobicContact CD1-CD2 4.38Å; E295-L330 WeakPolarHBondContact OE2-CD2 3.25Å; Y310-L330 HydrophobicContact CD1-CD1 3.58Å; Y310-L330 HydrophobicContact CD1-CD2 4.44Å; Y310-L330 HydrophobicContact CE1-CD1 4.33Å; Y310-L330 HydrophobicContact CG-CD1 3.84Å; K314-L330 HydrophobicContact CB-CD1 4.24Å; K314-L330 HydrophobicContact CB-CG 4.35Å; K314-L330 HydrophobicContact CD-CD1 4.26Å; K314-L330 HydrophobicContact CD-CD2 3.56Å; K314-L330 HydrophobicContact CD-CG 3.76Å; I315-L330 WeakPolarHBondContact O-CA 3.14Å; F316-L330 HydrophobicContact CB-CD1 4.17Å |
| 331 | V | 94.9 | Very high | 95.1 | Very high | 45 Ų | 45 | 89.6 Ų | 89.6 | 27% | 0.273 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 132.2 | -171.5 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | K314 I315 E346 | K314-V331 CarbonylContact C-O 3.58Å; K314-V331 WeakPolarHBondContact CA-O 3.5Å; K314-V331 WeakPolarHBondContact CB-O 3.22Å; I315-V331 HydrophobicContact CD1-CB 4.22Å; I315-V331 HydrophobicContact CG1-CB 3.81Å; I315-V331 PolarHBondContact N-O 3.48Å; I315-V331 PolarHBondContact O-N 2.86Å; V331-E346 HydrophobicContact CG2-CG 4.48Å |
| 332 | T | 96.3 | Very high | 95.1 | Very high | 89 Ų | 89 | 87.9 Ų | 87.9 | 55% | 0.546 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 130.7 | 174.4 | -53.8 | 0 | 0 | 0 | 0 | 109.8 | D313 K334 | D313-T332 CarbonylContact O-C 3.54Å; D313-T332 WeakPolarHBondContact O-CA 3.43Å; T332-K334 PolarHBondContact O-N 2.82Å |
| 333 | I | 96.2 | Very high | 95.3 | Very high | 28 Ų | 28 | 75.8 Ų | 75.8 | 14% | 0.144 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 120.1 | 179.2 | -56.7 | 171.3 | 0 | 0 | 0 | 108.2 | D313 I315 R337 P339 A342 | D313-I333 PolarHBondContact O-N 3.35Å; I315-I333 HydrophobicContact CG2-CD1 3.87Å; I315-I333 HydrophobicContact CG2-CG1 3.87Å; I333-R337 HydrophobicContact CG2-CB 4.32Å; I333-R337 VanDerWaalsContact CG2-O 3.27Å; I333-R337 WeakPolarHBondContact CG2-O 3.49Å; I333-P339 HydrophobicContact CD1-CB 4.09Å; I333-P339 HydrophobicContact CD1-CG 3.89Å; I333-A342 HydrophobicContact CG1-CB 4.47Å |
| 334 | K | 94.1 | Very high | 95.4 | Very high | 148 Ų | 148 | 72 Ų | 72 | 64% | 0.643 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 139.5 | 175.1 | -66.8 | -175.4 | 179.5 | -177.7 | 0 | 109.7 | T332 G336 R337 | T332-K334 PolarHBondContact O-N 2.82Å; K334-G336 PolarHBondContact O-N 3.17Å; K334-R337 WeakPolarHBondContact O-CB 3.37Å; K334-R337 PolarHBondContact O-N 3.24Å |
| 335 | K | 93.5 | Very high | 95.6 | Very high | 215 Ų | 215 | 73.9 Ų | 73.9 | 94% | 0.935 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 130.5 | 177.6 | -170.1 | 177.1 | -178.7 | -179.7 | 0 | 110.7 | R337 | K335-R337 VanDerWaalsContact C-N 3.34Š|
| 336 | G | 93.8 | Very high | 95.6 | Very high | 81 Ų | 81 | 68 Ų | 68 | 84% | 0.835 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86 | -6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K334 | K334-G336 PolarHBondContact O-N 3.17Š|
| 337 | R | 94.1 | Very high | 95.6 | Very high | 124 Ų | 124 | 70.6 Ų | 70.6 | 47% | 0.468 | 40% | 0.404 | S | S | . | . | trans | -93.5 | 144.3 | 171.1 | -69 | -167.6 | 176.2 | -172.6 | -4.6 | 111.6 | I333 K334 K335 E341 | I333-R337 HydrophobicContact CG2-CB 4.32Å; I333-R337 VanDerWaalsContact CG2-O 3.27Å; I333-R337 WeakPolarHBondContact CG2-O 3.49Å; K334-R337 WeakPolarHBondContact O-CB 3.37Å; K334-R337 PolarHBondContact O-N 3.24Å; K335-R337 VanDerWaalsContact C-N 3.34Å; R337-E341 VanDerWaalsContact CA-OE2 3.28Å; R337-E341 WeakPolarHBondContact CA-OE2 3.17Å | ||
| 338 | S | 95.7 | Very high | 95.7 | Very high | 44 Ų | 44 | 66.6 Ų | 66.6 | 31% | 0.308 | 39% | 0.386 | S | S | . | . | trans | -77.1 | 155.9 | 169.2 | 72.3 | 0 | 0 | 0 | 0 | 110.9 | F340 E341 A342 | S338-F340 PolarHBondContact O-N 3.4Å; S338-E341 PolarHBondContact N-OE2 2.82Å; S338-E341 PolarHBondContact O-N 2.92Å; S338-E341 WeakPolarHBondContact OG-CG 3.43Å; S338-E341 PolarHBondContact OG-N 2.8Å; S338-E341 VanDerWaalsContact OG-N 3.17Å; S338-A342 PolarHBondContact O-N 3.08Å; S338-A342 VanDerWaalsContact O-N 3.07Å | ||
| 339 | P | 95.8 | Very high | 95.7 | Very high | 47 Ų | 47 | 74.6 Ų | 74.6 | 31% | 0.305 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -55.5 | -34.2 | 170.6 | -23.1 | 30.4 | 0 | 0 | 0 | 113.1 | T309 I315 I333 A342 I343 | T309-P339 HydrophobicContact CG2-CB 3.59Å; T309-P339 HydrophobicContact CG2-CG 3.9Å; I315-P339 HydrophobicContact CG2-CB 4.14Å; I333-P339 HydrophobicContact CD1-CB 4.09Å; I333-P339 HydrophobicContact CD1-CG 3.89Å; P339-A342 PolarHBondContact O-N 2.83Å; P339-I343 WeakPolarHBondContact O-CB 3.45Å; P339-I343 WeakPolarHBondContact O-CD1 3.3Å; P339-I343 WeakPolarHBondContact O-CG1 3.48Å; P339-I343 PolarHBondContact O-N 3.36Å |
| 340 | F | 96.5 | Very high | 95.8 | Very high | 134 Ų | 134 | 78.6 Ų | 78.6 | 59% | 0.588 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.4 | -48 | 178.1 | -176.9 | -90.7 | 0 | 0 | 0 | 111.7 | S338 A342 I343 A344 F350 | S338-F340 PolarHBondContact O-N 3.4Å; F340-A342 VanDerWaalsContact C-N 3.32Å; F340-A342 PolarHBondContact O-N 3.45Å; F340-I343 PolarHBondContact O-N 2.88Å; F340-A344 WeakPolarHBondContact O-CB 2.96Å; F340-A344 PolarHBondContact O-N 2.74Å; F340-F350 HydrophobicContact CD2-CB 4.11Å; F340-F350 HydrophobicContact CD2-CG 4.48Å; F340-F350 HydrophobicContact CE2-CB 4.3Å |
| 341 | E | 96.5 | Very high | 95.8 | Very high | 100 Ų | 100 | 79.6 Ų | 79.6 | 47% | 0.467 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 175.6 | -71.5 | 166.9 | 172.3 | 0 | 0 | 112 | R337 S338 S345 | R337-E341 VanDerWaalsContact CA-OE2 3.28Å; R337-E341 WeakPolarHBondContact CA-OE2 3.17Å; S338-E341 PolarHBondContact N-OE2 2.82Å; S338-E341 PolarHBondContact O-N 2.92Å; S338-E341 WeakPolarHBondContact OG-CG 3.43Å; S338-E341 PolarHBondContact OG-N 2.8Å; S338-E341 VanDerWaalsContact OG-N 3.17Å; E341-S345 WeakPolarHBondContact O-CB 3.11Å; E341-S345 PolarHBondContact O-N 3.5Å; E341-S345 PolarHBondContact O-OG 2.98Å |
| 342 | A | 96.5 | Very high | 95.8 | Very high | 7 Ų | 7 | 81.4 Ų | 81.4 | 6% | 0.058 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I315 I333 S338 P339 F340 S345 E346 | I315-A342 VanDerWaalsContact CD1-C 3.44Å; I315-A342 HydrophobicContact CD1-CB 3.66Å; I315-A342 HydrophobicContact CG1-CB 4.41Å; I315-A342 HydrophobicContact CG2-CB 4.33Å; I333-A342 HydrophobicContact CG1-CB 4.47Å; S338-A342 PolarHBondContact O-N 3.08Å; S338-A342 VanDerWaalsContact O-N 3.07Å; P339-A342 PolarHBondContact O-N 2.83Å; F340-A342 VanDerWaalsContact C-N 3.32Å; F340-A342 PolarHBondContact O-N 3.45Å; A342-S345 PolarHBondContact O-N 3.05Å; A342-S345 PolarHBondContact O-OG 3.38Å; A342-E346 PolarHBondContact O-N 3.1Å |
| 343 | I | 97.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 80.9 Ų | 80.9 | 1% | 0.005 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 177.5 | -75.2 | 163.5 | 0 | 0 | 0 | 111.2 | I315 P339 F340 S345 E346 V348 F350 | I315-I343 HydrophobicContact CB-CD1 4.3Å; I315-I343 HydrophobicContact CB-CG1 3.94Å; I315-I343 HydrophobicContact CD1-CB 4.46Å; I315-I343 HydrophobicContact CD1-CG1 3.71Å; I315-I343 HydrophobicContact CG1-CG1 4.43Å; I315-I343 HydrophobicContact CG2-CD1 3.99Å; I315-I343 HydrophobicContact CG2-CG1 3.89Å; P339-I343 WeakPolarHBondContact O-CB 3.45Å; P339-I343 WeakPolarHBondContact O-CD1 3.3Å; P339-I343 WeakPolarHBondContact O-CG1 3.48Å; P339-I343 PolarHBondContact O-N 3.36Å; F340-I343 PolarHBondContact O-N 2.88Å; I343-S345 VanDerWaalsContact C-N 3.27Å; I343-S345 PolarHBondContact O-N 2.78Å; I343-E346 WeakPolarHBondContact O-CB 3.5Å; I343-E346 PolarHBondContact O-N 2.8Å; I343-V348 HydrophobicContact CG2-CG2 3.9Å; I343-F350 HydrophobicContact CD1-CD2 3.36Å; I343-F350 HydrophobicContact CD1-CE2 3.62Å; I343-F350 HydrophobicContact CD1-CG 4.48Å; I343-F350 HydrophobicContact CG2-CB 4.48Å |
| 344 | A | 96.3 | Very high | 95.8 | Very high | 56 Ų | 56 | 83.9 Ų | 83.9 | 46% | 0.463 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.7 | -37.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F340 E346 G347 | F340-A344 WeakPolarHBondContact O-CB 2.96Å; F340-A344 PolarHBondContact O-N 2.74Å; A344-E346 PolarHBondContact O-N 3.22Å; A344-G347 PolarHBondContact O-N 3.22Å |
| 345 | S | 96.4 | Very high | 95.8 | Very high | 74 Ų | 74 | 80.1 Ų | 80.1 | 52% | 0.517 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.2 | -19.7 | 176.6 | 74.9 | 0 | 0 | 0 | 0 | 114 | E341 A342 I343 G347 | E341-S345 WeakPolarHBondContact O-CB 3.11Å; E341-S345 PolarHBondContact O-N 3.5Å; E341-S345 PolarHBondContact O-OG 2.98Å; A342-S345 PolarHBondContact O-N 3.05Å; A342-S345 PolarHBondContact O-OG 3.38Å; I343-S345 VanDerWaalsContact C-N 3.27Å; I343-S345 PolarHBondContact O-N 2.78Å; S345-G347 VanDerWaalsContact C-N 3.32Å |
| 346 | E | 95.8 | Very high | 96 | Very high | 49 Ų | 49 | 71.7 Ų | 71.7 | 23% | 0.229 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -0.9 | 173.3 | -69.6 | -61.9 | 144.7 | 0 | 0 | 113.3 | I315 T317 K319 V331 A342 I343 A344 V348 | I315-E346 HydrophobicContact CD1-CG 4.26Å; T317-E346 HydrophobicContact CG2-CB 3.98Å; T317-E346 HydrophobicContact CG2-CG 4.04Å; K319-E346 IonicContact NZ-OE2 2.77Å; K319-E346 PolarHBondContact NZ-OE2 3.44Å; V331-E346 HydrophobicContact CG2-CG 4.48Å; A342-E346 PolarHBondContact O-N 3.1Å; I343-E346 WeakPolarHBondContact O-CB 3.5Å; I343-E346 PolarHBondContact O-N 2.8Å; A344-E346 PolarHBondContact O-N 3.22Å; E346-V348 HydrophobicContact CB-CG2 4.1Å |
| 347 | G | 95.9 | Very high | 96.1 | Very high | 71 Ų | 71 | 71.1 Ų | 71.1 | 73% | 0.732 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 27.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | A344 S345 | A344-G347 PolarHBondContact O-N 3.22Å; S345-G347 VanDerWaalsContact C-N 3.32Å |
| 348 | V | 97.3 | Very high | 96.3 | Very high | 15 Ų | 15 | 67.3 Ų | 67.3 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | trans | -125.6 | 159.7 | 177.5 | -72.5 | 0 | 0 | 0 | 0 | 111 | G305 T317 K319 I343 E346 | G305-V348 WeakPolarHBondContact O-CB 3.3Å; T317-V348 HydrophobicContact CG2-CG2 3.8Å; K319-V348 HydrophobicContact CB-CG1 3.54Å; I343-V348 HydrophobicContact CG2-CG2 3.9Å; E346-V348 HydrophobicContact CB-CG2 4.1Å | ||
| 349 | R | 96.9 | Very high | 96.3 | Very high | 178 Ų | 178 | 69.1 Ų | 69.1 | 67% | 0.672 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 150.7 | 177 | 57.4 | 169.3 | -162.2 | 162 | 7.8 | 111.5 | G305 C306 G307 C351 | G305-R349 WeakPolarHBondContact O-CG 3.36Å; G305-R349 PolarHBondContact O-N 3.13Å; C306-R349 CarbonylContact C-O 3.45Å; C306-R349 VanDerWaalsContact CA-O 3.32Å; C306-R349 WeakPolarHBondContact CA-O 3.24Å; G307-R349 PolarHBondContact N-O 3.43Å; R349-C351 PolarHBondContact O-N 3.45Å |
| 350 | F | 96.5 | Very high | 96.4 | Very high | 101 Ų | 101 | 70.9 Ų | 70.9 | 44% | 0.443 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 128 | 171.8 | -167.8 | -86.1 | 0 | 0 | 0 | 110.6 | G307 F340 I343 | G307-F350 WeakPolarHBondContact O-CA 3.21Å; F340-F350 HydrophobicContact CD2-CB 4.11Å; F340-F350 HydrophobicContact CD2-CG 4.48Å; F340-F350 HydrophobicContact CE2-CB 4.3Å; I343-F350 HydrophobicContact CD1-CD2 3.36Å; I343-F350 HydrophobicContact CD1-CE2 3.62Å; I343-F350 HydrophobicContact CD1-CG 4.48Å; I343-F350 HydrophobicContact CG2-CB 4.48Å |
| 351 | C | 94.9 | Very high | 96.4 | Very high | 65 Ų | 65 | 65.2 Ų | 65.2 | 44% | 0.439 | 37% | 0.374 | S | S | . | . | trans | -138.9 | 0 | 172.9 | -46.1 | 0 | 0 | 0 | 0 | 107.9 | C306 G307 T308 R349 | C306-C351 HydrophobicContact CB-CB 3.51Å; C306-C351 WeakPolarHBondContact CB-SG 3.44Å; C306-C351 WeakPolarHBondContact SG-CB 3.43Å; C306-C351 CovalentContact SG-SG 2.04Å; C306-C351 PolarHBondContact SG-SG 2.77Å; G307-C351 PolarHBondContact O-N 2.76Å; T308-C351 WeakPolarHBondContact CA-OXT 3.44Å; T308-C351 WeakPolarHBondContact CB-OXT 3.42Å; T308-C351 PolarHBondContact OG1-OXT 3.41Å; R349-C351 PolarHBondContact O-N 3.45Å |
Retrieved 351 of 351 residues in 169.6 ms
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