| 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 | 39.8 | Very low | 41 | Very low | 236 Ų | 236 | 147.3 Ų | 147.3 | 100% | 1.163 | 70% | 0.704 | S | S | * | * | 0 | 110.3 | 0 | -67.4 | 157.4 | 93.9 | 0 | 0 | 106.6 | N3 | M1-N3 PolarHBondContact O-N 3.43Š| |||
| 2 | R | 40.1 | Very low | 41.6 | Very low | 228 Ų | 228 | 142.5 Ų | 142.5 | 86% | 0.86 | 70% | 0.698 | S | S | * | * | trans | -82.5 | 109.8 | 179.9 | -78.2 | 178.2 | 174.4 | 165.2 | -2.2 | 107.4 | F4 | R2-F4 PolarHBondContact O-N 3.34Š| ||
| 3 | N | 37.8 | Very low | 42 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 85% | 0.85 | 65% | 0.654 | S | S | * | * | trans | -66.5 | 116.9 | 168.7 | -87.1 | -5 | 0 | 0 | 0 | 108 | M1 D5 | M1-N3 PolarHBondContact O-N 3.43Å; N3-D5 PolarHBondContact O-N 3.31Å | ||
| 4 | F | 39 | Very low | 42.6 | Very low | 179 Ų | 179 | 125.1 Ų | 125.1 | 79% | 0.785 | 62% | 0.617 | S | S | * | * | trans | -80 | 105.7 | 169.7 | -71.2 | -84.8 | 0 | 0 | 0 | 107.7 | R2 L6 | R2-F4 PolarHBondContact O-N 3.34Å; F4-L6 PolarHBondContact O-N 3.38Å | ||
| 5 | D | 39.9 | Very low | 42.7 | Very low | 121 Ų | 121 | 119.9 Ų | 119.9 | 65% | 0.647 | 61% | 0.609 | S | S | * | * | trans | -82.8 | 102 | 175.3 | -175.7 | 1 | 0 | 0 | 0 | 108.9 | N3 S7 P8 | N3-D5 PolarHBondContact O-N 3.31Å; D5-S7 VanDerWaalsContact C-N 3.27Å; D5-S7 WeakPolarHBondContact OD1-CB 3.14Å; D5-S7 PolarHBondContact OD1-N 3.02Å; D5-S7 VanDerWaalsContact OD1-N 3.13Å; D5-S7 PolarHBondContact OD1-OG 2.96Å; D5-S7 PolarHBondContact OD2-OG 3.23Å; D5-P8 WeakPolarHBondContact O-CD 3.4Å | ||
| 6 | L | 45 | Very low | 43.2 | Very low | 95 Ų | 95 | 114.5 Ų | 114.5 | 50% | 0.497 | 58% | 0.58 | S | S | . | * | trans | -87.7 | 9.7 | -178.9 | -61.1 | 178.8 | 0 | 0 | 0 | 112.9 | F4 P8 L9 Y10 | F4-L6 PolarHBondContact O-N 3.38Å; L6-P8 VanDerWaalsContact O-N 3.14Å; L6-L9 HydrophobicContact CD2-CD1 4.46Å; L6-L9 PolarHBondContact O-N 2.99Å; L6-L9 VanDerWaalsContact O-N 3.14Å; L6-Y10 HydrophobicContact CB-CE2 4.06Å; L6-Y10 WeakPolarHBondContact O-CD2 3.47Å; L6-Y10 WeakPolarHBondContact O-CE2 3.49Å | ||
| 7 | S | 40.6 | Very low | 43.6 | Very low | 66 Ų | 66 | 116.4 Ų | 116.4 | 46% | 0.462 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -52.3 | -28 | 175.6 | 55.4 | 0 | 0 | 0 | 0 | 115.6 | D5 L9 | D5-S7 VanDerWaalsContact C-N 3.27Å; D5-S7 WeakPolarHBondContact OD1-CB 3.14Å; D5-S7 PolarHBondContact OD1-N 3.02Å; D5-S7 VanDerWaalsContact OD1-N 3.13Å; D5-S7 PolarHBondContact OD1-OG 2.96Å; D5-S7 PolarHBondContact OD2-OG 3.23Å; S7-L9 PolarHBondContact O-N 2.82Å |
| 8 | P | 42.5 | Very low | 43.7 | Very low | 96 Ų | 96 | 119.2 Ų | 119.2 | 62% | 0.623 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.3 | -28.8 | 177 | -21.3 | 34.1 | 0 | 0 | 0 | 114.6 | D5 L6 | D5-P8 WeakPolarHBondContact O-CD 3.4Å; L6-P8 VanDerWaalsContact O-N 3.14Å |
| 9 | L | 41.3 | Very low | 43.8 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 64% | 0.639 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -81.5 | -20.6 | -177 | -70.1 | 171.6 | 0 | 0 | 0 | 113 | L6 S7 | L6-L9 HydrophobicContact CD2-CD1 4.46Å; L6-L9 PolarHBondContact O-N 2.99Å; L6-L9 VanDerWaalsContact O-N 3.14Å; S7-L9 PolarHBondContact O-N 2.82Å |
| 10 | Y | 42.7 | Very low | 43.9 | Very low | 119 Ų | 119 | 115.4 Ų | 115.4 | 47% | 0.467 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -76.7 | -21.5 | 179.4 | -70 | -78.1 | 0 | 0 | 0 | 113.4 | L6 S12 K239 | L6-Y10 HydrophobicContact CB-CE2 4.06Å; L6-Y10 WeakPolarHBondContact O-CD2 3.47Å; L6-Y10 WeakPolarHBondContact O-CE2 3.49Å; Y10-S12 VanDerWaalsContact C-N 3.26Å; Y10-S12 PolarHBondContact O-N 2.94Å; Y10-K239 PolarHBondContact OH-NZ 3.23Å |
| 11 | R | 42.8 | Very low | 44 | Very low | 199 Ų | 199 | 116.2 Ų | 116.2 | 75% | 0.751 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.7 | -16 | -173.7 | -128.7 | -175.8 | -156.6 | -137.3 | 4.8 | 114.5 | ||
| 12 | S | 47.4 | Very low | 43.9 | Very low | 90 Ų | 90 | 112.8 Ų | 112.8 | 63% | 0.629 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -125.4 | -6.8 | -176.9 | 63.8 | 0 | 0 | 0 | 0 | 114.5 | Y10 I14 | Y10-S12 VanDerWaalsContact C-N 3.26Å; Y10-S12 PolarHBondContact O-N 2.94Å; S12-I14 VanDerWaalsContact C-N 3.32Å; S12-I14 PolarHBondContact O-N 2.99Å |
| 13 | A | 47.1 | Very low | 44 | Very low | 16 Ų | 16 | 107.7 Ų | 107.7 | 13% | 0.132 | 55% | 0.55 | C | S | . | * | H | α-helix | trans | -70.9 | -30.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y47 | A13-Y47 PolarHBondContact O-OH 3.45Å |
| 14 | I | 50 | Low | 44.6 | Very low | 25 Ų | 25 | 107.3 Ų | 107.3 | 13% | 0.128 | 54% | 0.543 | C | S | . | . | trans | -150.8 | 115.7 | 176.2 | -66.6 | -166.6 | 0 | 0 | 0 | 107.7 | S12 F16 V39 Y47 L241 | S12-I14 VanDerWaalsContact C-N 3.32Å; S12-I14 PolarHBondContact O-N 2.99Å; I14-F16 HydrophobicContact CB-CD2 4.31Å; I14-F16 HydrophobicContact CG2-CB 3.56Å; I14-F16 HydrophobicContact CG2-CD1 4.28Å; I14-F16 HydrophobicContact CG2-CD2 2.86Å; I14-F16 HydrophobicContact CG2-CE2 3.48Å; I14-F16 VanDerWaalsContact CG2-CE2 3.48Å; I14-F16 HydrophobicContact CG2-CG 3.3Å; I14-F16 HydrophobicContact CG2-CZ 4.45Å; I14-F16 PolarHBondContact O-N 2.92Å; I14-V39 HydrophobicContact CD1-CG1 4.28Å; I14-Y47 HydrophobicContact CD1-CD1 3.54Å; I14-Y47 HydrophobicContact CD1-CE1 3.46Å; I14-Y47 VanDerWaalsContact CD1-CE1 3.46Å; I14-Y47 HydrophobicContact CD1-CG 4.46Å; I14-Y47 HydrophobicContact CG1-CD1 4.03Å; I14-Y47 HydrophobicContact CG1-CE1 3.45Å; I14-Y47 VanDerWaalsContact CG1-CE1 3.45Å; I14-L241 HydrophobicContact CD1-CB 4.33Å; I14-L241 HydrophobicContact CD1-CD1 3.1Å; I14-L241 HydrophobicContact CD1-CD2 4.19Å; I14-L241 HydrophobicContact CD1-CG 4.04Å; I14-L241 HydrophobicContact CG1-CD1 4.28Å | ||
| 15 | G | 44 | Very low | 44.8 | Very low | 48 Ų | 48 | 105.5 Ų | 105.5 | 50% | 0.495 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 17.9 | 177 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 16 | F | 51.1 | Low | 44.6 | Very low | 33 Ų | 33 | 106.2 Ų | 106.2 | 15% | 0.145 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -74.4 | -36.2 | -178.1 | -74.6 | -132.9 | 0 | 0 | 0 | 110.6 | I14 R18 L19 F20 Q100 | I14-F16 HydrophobicContact CB-CD2 4.31Å; I14-F16 HydrophobicContact CG2-CB 3.56Å; I14-F16 HydrophobicContact CG2-CD1 4.28Å; I14-F16 HydrophobicContact CG2-CD2 2.86Å; I14-F16 HydrophobicContact CG2-CE2 3.48Å; I14-F16 VanDerWaalsContact CG2-CE2 3.48Å; I14-F16 HydrophobicContact CG2-CG 3.3Å; I14-F16 HydrophobicContact CG2-CZ 4.45Å; I14-F16 PolarHBondContact O-N 2.92Å; F16-R18 PolarHBondContact O-N 3.01Å; F16-L19 PolarHBondContact O-N 3.5Å; F16-F20 HydrophobicContact CB-CD2 3.72Å; F16-F20 HydrophobicContact CB-CE2 3.51Å; F16-F20 HydrophobicContact CB-CZ 4.47Å; F16-F20 HydrophobicContact CD1-CD2 4.04Å; F16-F20 HydrophobicContact CD1-CE1 4.34Å; F16-F20 AromaticContact CD1-CE2 3.03Å; F16-F20 HydrophobicContact CD1-CE2 3.03Å; F16-F20 AromaticContact CD1-CZ 3.22Å; F16-F20 HydrophobicContact CD1-CZ 3.22Å; F16-F20 HydrophobicContact CD2-CE2 4.2Å; F16-F20 AromaticContact CE1-CE2 3.76Å; F16-F20 HydrophobicContact CE1-CE2 3.76Å; F16-F20 AromaticContact CE1-CZ 3.59Å; F16-F20 HydrophobicContact CE1-CZ 3.59Å; F16-F20 HydrophobicContact CG-CD2 4.08Å; F16-F20 AromaticContact CG-CE2 3.32Å; F16-F20 HydrophobicContact CG-CE2 3.32Å; F16-F20 HydrophobicContact CG-CZ 4.01Å; F16-F20 WeakPolarHBondContact O-CD2 3.18Å; F16-F20 PolarHBondContact O-N 3.14Å; F16-Q100 WeakPolarHBondContact CE2-O 3.47Å |
| 17 | D | 50.6 | Low | 44.5 | Very low | 147 Ų | 147 | 109.9 Ų | 109.9 | 79% | 0.786 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.8 | -21.7 | -175.3 | -88.5 | -3.8 | 0 | 0 | 0 | 115.3 | ||
| 18 | R | 45.5 | Very low | 44.4 | Very low | 167 Ų | 167 | 112.3 Ų | 112.3 | 63% | 0.63 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -103.2 | -17.5 | -175.5 | -66.2 | -169.3 | -176.1 | -164.2 | 1.9 | 115.4 | F16 | F16-R18 PolarHBondContact O-N 3.01Å |
| 19 | L | 45.1 | Very low | 44.2 | Very low | 93 Ų | 93 | 117.2 Ų | 117.2 | 49% | 0.487 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -103 | -26 | -179.1 | -68.4 | 175 | 0 | 0 | 0 | 113.2 | F16 N21 H22 L23 | F16-L19 PolarHBondContact O-N 3.5Å; L19-N21 VanDerWaalsContact C-N 3.33Å; L19-N21 PolarHBondContact O-N 3.42Å; L19-H22 PolarHBondContact O-N 2.59Å; L19-L23 PolarHBondContact O-N 3.49Å |
| 20 | F | 46 | Very low | 44 | Very low | 68 Ų | 68 | 116.2 Ų | 116.2 | 30% | 0.298 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.7 | -37.1 | -176.7 | -83.6 | -101.3 | 0 | 0 | 0 | 112.5 | F16 H22 | F16-F20 HydrophobicContact CB-CD2 3.72Å; F16-F20 HydrophobicContact CB-CE2 3.51Å; F16-F20 HydrophobicContact CB-CZ 4.47Å; F16-F20 HydrophobicContact CD1-CD2 4.04Å; F16-F20 HydrophobicContact CD1-CE1 4.34Å; F16-F20 AromaticContact CD1-CE2 3.03Å; F16-F20 HydrophobicContact CD1-CE2 3.03Å; F16-F20 AromaticContact CD1-CZ 3.22Å; F16-F20 HydrophobicContact CD1-CZ 3.22Å; F16-F20 HydrophobicContact CD2-CE2 4.2Å; F16-F20 AromaticContact CE1-CE2 3.76Å; F16-F20 HydrophobicContact CE1-CE2 3.76Å; F16-F20 AromaticContact CE1-CZ 3.59Å; F16-F20 HydrophobicContact CE1-CZ 3.59Å; F16-F20 HydrophobicContact CG-CD2 4.08Å; F16-F20 AromaticContact CG-CE2 3.32Å; F16-F20 HydrophobicContact CG-CE2 3.32Å; F16-F20 HydrophobicContact CG-CZ 4.01Å; F16-F20 WeakPolarHBondContact O-CD2 3.18Å; F16-F20 PolarHBondContact O-N 3.14Å; F20-H22 VanDerWaalsContact C-N 3.27Å; F20-H22 PolarHBondContact O-N 3.13Å |
| 21 | N | 45.4 | Very low | 44 | Very low | 133 Ų | 133 | 114.2 Ų | 114.2 | 71% | 0.711 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -73.7 | -14.4 | 179.5 | -70.6 | -16.2 | 0 | 0 | 0 | 114.3 | L19 | L19-N21 VanDerWaalsContact C-N 3.33Å; L19-N21 PolarHBondContact O-N 3.42Å |
| 22 | H | 38.2 | Very low | 44.6 | Very low | 164 Ų | 164 | 108 Ų | 108 | 76% | 0.759 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -108.3 | -14.2 | -173.6 | -128.1 | -56.9 | 0 | 0 | 0 | 115 | L19 F20 | L19-H22 PolarHBondContact O-N 2.59Å; F20-H22 VanDerWaalsContact C-N 3.27Å; F20-H22 PolarHBondContact O-N 3.13Å |
| 23 | L | 43.3 | Very low | 45.9 | Very low | 121 Ų | 121 | 106.1 Ų | 106.1 | 63% | 0.634 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -112.4 | -10 | -177.9 | -105.1 | 160.6 | 0 | 0 | 0 | 115 | L19 N25 | L19-L23 PolarHBondContact O-N 3.49Å; L23-N25 PolarHBondContact O-N 3.18Å |
| 24 | E | 48.6 | Very low | 47.8 | Very low | 151 Ų | 151 | 107.2 Ų | 107.2 | 71% | 0.706 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -19.7 | 170.4 | -82.2 | -173.9 | 156.8 | 0 | 0 | 112.9 | ||
| 25 | N | 43.2 | Very low | 49.9 | Very low | 141 Ų | 141 | 106 Ų | 106 | 75% | 0.754 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -1.4 | -175.9 | -79.3 | -15.8 | 0 | 0 | 0 | 115.7 | L23 | L23-N25 PolarHBondContact O-N 3.18Š|
| 26 | N | 35.9 | Very low | 52.3 | Low | 136 Ų | 136 | 106 Ų | 106 | 73% | 0.727 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -131.8 | 15.1 | -167.8 | -108.2 | -23.2 | 0 | 0 | 0 | 118.7 | ||
| 27 | Q | 43.1 | Very low | 54.4 | Low | 172 Ų | 172 | 105.3 Ų | 105.3 | 80% | 0.804 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -132.7 | 94.5 | 161 | -70.5 | -161.1 | 0.3 | 0 | 0 | 111.2 | ||
| 28 | S | 39.4 | Very low | 56.5 | Low | 117 Ų | 117 | 98.7 Ų | 98.7 | 82% | 0.818 | 53% | 0.532 | S | S | * | . | trans | 43.9 | 89.3 | 132.6 | -48.3 | 0 | 0 | 0 | 0 | 116 | S30 | S28-S30 PolarHBondContact O-N 2.79Š| ||
| 29 | Q | 37.1 | Very low | 58.9 | Low | 200 Ų | 200 | 91 Ų | 91 | 94% | 0.935 | 50% | 0.503 | S | S | * | . | S | Bend | trans | 1.6 | 104.5 | 151.3 | -64 | -175.7 | -15.5 | 0 | 0 | 115.8 | ||
| 30 | S | 37.6 | Very low | 61.2 | Low | 101 Ų | 101 | 87.4 Ų | 87.4 | 71% | 0.706 | 49% | 0.485 | S | S | * | . | trans | -174.1 | -32.7 | 135.6 | -156.2 | 0 | 0 | 0 | 0 | 115.9 | S28 | S28-S30 PolarHBondContact O-N 2.79Š| ||
| 31 | N | 43.4 | Very low | 63.4 | Low | 77 Ų | 77 | 85.5 Ų | 85.5 | 41% | 0.412 | 48% | 0.477 | S | S | . | . | trans | -110.4 | 71.1 | -171.1 | -86.6 | 19.4 | 0 | 0 | 0 | 113 | G33 R93 | N31-G33 PolarHBondContact O-N 3.32Å; N31-G33 VanDerWaalsContact O-N 3.15Å; N31-R93 PolarHBondContact OD1-NH1 2.82Å; N31-R93 PolarHBondContact OD1-NH2 2.88Å | ||
| 32 | G | 54 | Low | 65.7 | Low | 67 Ų | 67 | 82.4 Ų | 82.4 | 69% | 0.691 | 46% | 0.463 | S | S | * | . | trans | -51.2 | 119.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111 | Y34 | G32-Y34 PolarHBondContact O-N 2.77Š| ||
| 33 | G | 75 | Confident | 68.3 | Low | 51 Ų | 51 | 78.1 Ų | 78.1 | 53% | 0.526 | 45% | 0.446 | S | S | . | . | S | Bend | trans | 58.2 | -0.5 | 159 | 0 | 0 | 0 | 0 | 0 | 119.1 | N31 P35 P36 R97 | N31-G33 PolarHBondContact O-N 3.32Å; N31-G33 VanDerWaalsContact O-N 3.15Å; G33-P35 CarbonylContact O-C 3.51Å; G33-P36 WeakPolarHBondContact O-CA 3Å; G33-R97 PolarHBondContact O-NH2 2.78Å |
| 34 | Y | 87.9 | Confident | 70.5 | Confident | 40 Ų | 40 | 79.4 Ų | 79.4 | 16% | 0.157 | 45% | 0.449 | C | S | . | . | trans | -104.5 | 136.6 | -171.3 | -177.9 | -96.8 | 0 | 0 | 0 | 113 | G32 A91 R93 F95 R97 | G32-Y34 PolarHBondContact O-N 2.77Å; Y34-A91 HydrophobicContact CD2-CB 4.27Å; Y34-A91 HydrophobicContact CE1-CB 4.39Å; Y34-A91 HydrophobicContact CE2-CB 4.15Å; Y34-A91 HydrophobicContact CG-CB 4.49Å; Y34-A91 PolarHBondContact OH-O 2.57Å; Y34-R93 HydrophobicContact CD1-CG 4.46Å; Y34-R93 HydrophobicContact CE1-CG 4.23Å; Y34-F95 HydrophobicContact CD1-CB 4.26Å; Y34-F95 HydrophobicContact CE1-CB 4.13Å; Y34-F95 HydrophobicContact CE1-CD1 4.36Å; Y34-R97 PolarHBondContact O-NE 2.86Å | ||
| 35 | P | 93.4 | Very high | 72.6 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 43% | 0.431 | C | S | . | . | S | Bend | cis | -71.9 | 150.8 | -10.8 | -10.9 | 27.1 | 0 | 0 | 0 | 111 | G33 I51 A52 F95 R97 | G33-P35 CarbonylContact O-C 3.51Å; P35-I51 HydrophobicContact CB-CG2 4Å; P35-I51 HydrophobicContact CG-CG2 4.35Å; P35-A52 WeakPolarHBondContact CB-O 3.35Å; P35-F95 VanDerWaalsContact CD-CD2 3.45Å; P35-F95 HydrophobicContact CG-CB 4.16Å; P35-F95 HydrophobicContact CG-CD1 3.66Å; P35-F95 HydrophobicContact CG-CD2 3.57Å; P35-F95 HydrophobicContact CG-CE1 3.87Å; P35-F95 HydrophobicContact CG-CE2 3.81Å; P35-F95 HydrophobicContact CG-CG 3.51Å; P35-F95 HydrophobicContact CG-CZ 3.96Å; P35-R97 PolarHBondContact O-NE 3.29Å; P35-R97 PolarHBondContact O-NH2 2.78Å |
| 36 | P | 94 | Very high | 75.1 | Confident | 48 Ų | 48 | 70.9 Ų | 70.9 | 31% | 0.312 | 41% | 0.406 | S | S | . | . | trans | -68 | 151.6 | 175.9 | 28.6 | -31.1 | 0 | 0 | 0 | 109.4 | G33 A52 L245 | G33-P36 WeakPolarHBondContact O-CA 3Å; P36-A52 HydrophobicContact CG-CB 4.07Å; P36-A52 PolarHBondContact O-N 2.66Å; P36-L245 HydrophobicContact CB-CD2 3.98Å; P36-L245 HydrophobicContact CG-CD2 3.94Å; P36-L245 VanDerWaalsContact O-CD2 3.25Å; P36-L245 WeakPolarHBondContact O-CD2 3.41Å | ||
| 37 | Y | 96 | Very high | 78 | Confident | 18 Ų | 18 | 64.6 Ų | 64.6 | 7% | 0.071 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 162 | -177.8 | 69.4 | -86.7 | 0 | 0 | 0 | 111.3 | V39 I49 A50 F99 H242 G244 | Y37-V39 HydrophobicContact CD2-CG2 3.93Å; Y37-V39 HydrophobicContact CE2-CG2 3.76Å; Y37-I49 HydrophobicContact CD2-CG2 4.42Å; Y37-A50 CarbonylContact C-O 3.57Å; Y37-A50 WeakPolarHBondContact CA-O 3.43Å; Y37-A50 VanDerWaalsContact CB-O 3.3Å; Y37-A50 WeakPolarHBondContact CB-O 3.49Å; Y37-F99 HydrophobicContact CD1-CE1 4.09Å; Y37-F99 HydrophobicContact CD1-CZ 4.33Å; Y37-F99 AromaticContact CD2-CE1 3.65Å; Y37-F99 HydrophobicContact CD2-CE1 3.65Å; Y37-F99 HydrophobicContact CD2-CZ 4.32Å; Y37-F99 HydrophobicContact CE1-CE1 4.09Å; Y37-F99 HydrophobicContact CE2-CD1 4.34Å; Y37-F99 AromaticContact CE2-CE1 3.64Å; Y37-F99 HydrophobicContact CE2-CE1 3.64Å; Y37-F99 AromaticContact CG-CE1 3.89Å; Y37-F99 HydrophobicContact CG-CE1 3.89Å; Y37-F99 HydrophobicContact CG-CZ 4.15Å; Y37-F99 AromaticContact CZ-CE1 3.87Å; Y37-H242 AromaticContact CD2-CD2 3.73Å; Y37-H242 AromaticContact CE2-CD2 3.32Å; Y37-H242 WeakPolarHBondContact CE2-CD2 3.36Å; Y37-H242 AromaticContact CE2-NE2 3.85Å; Y37-H242 AromaticContact CZ-CD2 3.75Å; Y37-H242 AromaticContact CZ-NE2 3.78Å; Y37-H242 PolarHBondContact O-CD2 3.02Å; Y37-G244 WeakPolarHBondContact O-CA 3.46Å; Y37-G244 PolarHBondContact O-N 2.87Å |
| 38 | N | 95.2 | Very high | 80.5 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 4% | 0.043 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 158.5 | 166.5 | -68.1 | -3 | 0 | 0 | 0 | 110.1 | I49 A50 W240 H242 Q243 G244 L245 | N38-I49 WeakPolarHBondContact O-CA 3.37Å; N38-A50 PolarHBondContact N-O 3.29Å; N38-A50 PolarHBondContact O-N 3.29Å; N38-W240 HydrophobicContact CB-CE3 3.7Å; N38-W240 HydrophobicContact CB-CH2 4.13Å; N38-W240 HydrophobicContact CB-CZ3 3.3Å; N38-W240 VanDerWaalsContact ND2-CH2 3.29Å; N38-W240 WeakPolarHBondContact ND2-CH2 3.28Å; N38-W240 VanDerWaalsContact ND2-CZ3 3.29Å; N38-W240 WeakPolarHBondContact ND2-CZ3 3Å; N38-H242 CarbonylContact C-O 3.58Å; N38-H242 VanDerWaalsContact CA-O 3.32Å; N38-H242 WeakPolarHBondContact CA-O 3.34Å; N38-Q243 VanDerWaalsContact OD1-CA 3.29Å; N38-Q243 WeakPolarHBondContact OD1-CA 3.34Å; N38-G244 PolarHBondContact OD1-N 2.65Å; N38-L245 HydrophobicContact CB-CD1 4.31Å; N38-L245 WeakPolarHBondContact OD1-CB 3.32Å; N38-L245 WeakPolarHBondContact OD1-CG 3.42Å; N38-L245 PolarHBondContact OD1-N 3.33Å |
| 39 | V | 94.9 | Very high | 83.3 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 118.4 | 166.6 | -172.1 | 0 | 0 | 0 | 0 | 108.1 | I14 Y37 R48 I49 L241 H242 | I14-V39 HydrophobicContact CD1-CG1 4.28Å; Y37-V39 HydrophobicContact CD2-CG2 3.93Å; Y37-V39 HydrophobicContact CE2-CG2 3.76Å; V39-R48 WeakPolarHBondContact CA-O 3.28Å; V39-I49 HydrophobicContact CG2-CG1 4.35Å; V39-L241 HydrophobicContact CB-CB 4.31Å; V39-L241 HydrophobicContact CG1-CB 4.28Å; V39-L241 HydrophobicContact CG1-CD1 4.05Å; V39-L241 PolarHBondContact O-N 2.78Å; V39-H242 HydrophobicContact CB-CB 4.1Å; V39-H242 HydrophobicContact CG2-CB 4.08Å; V39-H242 PolarHBondContact N-O 3.38Å; V39-H242 PolarHBondContact O-N 3.12Å |
| 40 | E | 93.4 | Very high | 86.1 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 9% | 0.089 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 134.8 | -177.8 | -178.9 | 174.3 | -176.8 | 0 | 0 | 110 | V42 Y47 R48 K238 W240 | E40-V42 HydrophobicContact CG-CG2 4.2Å; E40-Y47 CarbonylContact O-C 3.5Å; E40-Y47 VanDerWaalsContact O-CA 3.28Å; E40-Y47 WeakPolarHBondContact O-CA 3.29Å; E40-R48 HydrophobicContact CB-CB 4.27Å; E40-R48 PolarHBondContact N-O 2.96Å; E40-R48 PolarHBondContact O-N 3.23Å; E40-K238 WeakPolarHBondContact OE1-CD 3.15Å; E40-K238 WeakPolarHBondContact OE1-CE 3.33Å; E40-K238 WeakPolarHBondContact OE1-CG 3.28Å; E40-K238 IonicContact OE1-NZ 2.67Å; E40-K238 PolarHBondContact OE1-NZ 2.82Å; E40-K238 IonicContact OE2-NZ 3.18Å; E40-K238 PolarHBondContact OE2-NZ 2.82Å; E40-W240 HydrophobicContact CB-CE3 4.06Å; E40-W240 HydrophobicContact CB-CZ3 3.84Å; E40-W240 HydrophobicContact CG-CZ3 4.45Å |
| 41 | L | 92.9 | Very high | 89 | Confident | 27 Ų | 27 | 40.1 Ų | 40.1 | 14% | 0.141 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 102.7 | 165.6 | -177.6 | 67.4 | 0 | 0 | 0 | 106.9 | D43 Y47 K239 L241 | L41-D43 WeakPolarHBondContact CD1-O 3.24Å; L41-D43 WeakPolarHBondContact CG-O 3.47Å; L41-Y47 HydrophobicContact CD1-CD1 3.51Å; L41-Y47 HydrophobicContact CD1-CE1 3.23Å; L41-K239 HydrophobicContact CB-CB 4.31Å; L41-K239 HydrophobicContact CB-CG 4.24Å; L41-K239 HydrophobicContact CD2-CD 3.8Å; L41-K239 HydrophobicContact CD2-CG 4.32Å; L41-K239 PolarHBondContact N-O 3.33Å; L41-L241 HydrophobicContact CB-CD1 3.64Å; L41-L241 HydrophobicContact CB-CD2 4.43Å; L41-L241 HydrophobicContact CB-CG 4Å; L41-L241 HydrophobicContact CD1-CD1 4.38Å |
| 42 | V | 93.4 | Very high | 91.5 | Very high | 69 Ų | 69 | 37.1 Ų | 37.1 | 42% | 0.418 | 22% | 0.218 | S | C | . | . | trans | -75.9 | -47.7 | -176.4 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | E40 H46 R48 | E40-V42 HydrophobicContact CG-CG2 4.2Å; V42-H46 HydrophobicContact CB-CB 4.07Å; V42-H46 HydrophobicContact CG1-CB 4.47Å; V42-H46 PolarHBondContact N-O 2.9Å; V42-R48 HydrophobicContact CG2-CB 3.85Å | ||
| 43 | D | 91.9 | Very high | 93.5 | Very high | 73 Ų | 73 | 34 Ų | 34 | 39% | 0.39 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -150.6 | -164.8 | 170.3 | 65.5 | 43.1 | 0 | 0 | 0 | 110 | L41 N45 H46 | L41-D43 WeakPolarHBondContact CD1-O 3.24Å; L41-D43 WeakPolarHBondContact CG-O 3.47Å; D43-N45 VanDerWaalsContact C-N 3.29Å; D43-N45 PolarHBondContact O-N 3.25Å; D43-N45 PolarHBondContact OD1-N 2.74Å; D43-H46 PolarHBondContact N-O 2.8Å; D43-H46 WeakPolarHBondContact OD1-CB 3.46Å; D43-H46 IonicContact OD1-CG 3.53Å; D43-H46 PolarHBondContact OD1-N 2.81Å; D43-H46 IonicContact OD1-ND1 2.9Å; D43-H46 PolarHBondContact OD1-ND1 2.89Å; D43-H46 IonicContact OD2-CE1 3.68Å; D43-H46 IonicContact OD2-CG 3.56Å; D43-H46 IonicContact OD2-ND1 2.74Å; D43-H46 PolarHBondContact OD2-ND1 2.76Å |
| 44 | E | 89.7 | Confident | 94.5 | Very high | 149 Ų | 149 | 32.1 Ų | 32.1 | 70% | 0.696 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -54.5 | -45.2 | -179.9 | -65.4 | -175.5 | 171.8 | 0 | 0 | 112.4 | R123 | E44-R123 VanDerWaalsContact C-NH2 3.34Å; E44-R123 PolarHBondContact O-NH1 3.29Å; E44-R123 PolarHBondContact O-NH2 3.27Å |
| 45 | N | 93.5 | Very high | 94.8 | Very high | 65 Ų | 65 | 31 Ų | 31 | 35% | 0.348 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -109.8 | -7.7 | -171.8 | -62 | -46.4 | 0 | 0 | 0 | 114 | D43 R123 | D43-N45 VanDerWaalsContact C-N 3.29Å; D43-N45 PolarHBondContact O-N 3.25Å; D43-N45 PolarHBondContact OD1-N 2.74Å; N45-R123 PolarHBondContact O-N 2.8Å; N45-R123 PolarHBondContact OD1-NE 3.5Å; N45-R123 PolarHBondContact OD1-NH2 2.82Å |
| 46 | H | 95.5 | Very high | 94.9 | Very high | 48 Ų | 48 | 31 Ų | 31 | 22% | 0.222 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 139.7 | -178.7 | -59.9 | 96 | 0 | 0 | 0 | 112.3 | V42 D43 L121 | V42-H46 HydrophobicContact CB-CB 4.07Å; V42-H46 HydrophobicContact CG1-CB 4.47Å; V42-H46 PolarHBondContact N-O 2.9Å; D43-H46 PolarHBondContact N-O 2.8Å; D43-H46 WeakPolarHBondContact OD1-CB 3.46Å; D43-H46 IonicContact OD1-CG 3.53Å; D43-H46 PolarHBondContact OD1-N 2.81Å; D43-H46 IonicContact OD1-ND1 2.9Å; D43-H46 PolarHBondContact OD1-ND1 2.89Å; D43-H46 IonicContact OD2-CE1 3.68Å; D43-H46 IonicContact OD2-CG 3.56Å; D43-H46 IonicContact OD2-ND1 2.74Å; D43-H46 PolarHBondContact OD2-ND1 2.76Å; H46-L121 WeakPolarHBondContact CA-O 3.34Å |
| 47 | Y | 96 | Very high | 95 | Very high | 3 Ų | 3 | 30 Ų | 30 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 159.6 | 178.4 | -47.8 | -97.2 | 0 | 0 | 0 | 110 | A13 I14 E40 L41 I105 L121 R123 L241 | A13-Y47 PolarHBondContact O-OH 3.45Å; I14-Y47 HydrophobicContact CD1-CD1 3.54Å; I14-Y47 HydrophobicContact CD1-CE1 3.46Å; I14-Y47 VanDerWaalsContact CD1-CE1 3.46Å; I14-Y47 HydrophobicContact CD1-CG 4.46Å; I14-Y47 HydrophobicContact CG1-CD1 4.03Å; I14-Y47 HydrophobicContact CG1-CE1 3.45Å; I14-Y47 VanDerWaalsContact CG1-CE1 3.45Å; E40-Y47 CarbonylContact O-C 3.5Å; E40-Y47 VanDerWaalsContact O-CA 3.28Å; E40-Y47 WeakPolarHBondContact O-CA 3.29Å; L41-Y47 HydrophobicContact CD1-CD1 3.51Å; L41-Y47 HydrophobicContact CD1-CE1 3.23Å; Y47-I105 HydrophobicContact CE2-CD1 4.25Å; Y47-L121 PolarHBondContact N-O 3Å; Y47-L121 PolarHBondContact O-N 3.18Å; Y47-R123 HydrophobicContact CE2-CB 4.06Å; Y47-R123 PolarHBondContact OH-NH1 3.22Å; Y47-L241 HydrophobicContact CD1-CD1 3.75Å; Y47-L241 HydrophobicContact CE1-CD1 4.11Å |
| 48 | R | 96.7 | Very high | 94.9 | Very high | 71 Ų | 71 | 36.4 Ų | 36.4 | 27% | 0.268 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 126.9 | 177.3 | 174.2 | 172.6 | -72.6 | 172.4 | -3 | 110.5 | V39 E40 V42 Y118 I119 D120 | V39-R48 WeakPolarHBondContact CA-O 3.28Å; E40-R48 HydrophobicContact CB-CB 4.27Å; E40-R48 PolarHBondContact N-O 2.96Å; E40-R48 PolarHBondContact O-N 3.23Å; V42-R48 HydrophobicContact CG2-CB 3.85Å; R48-Y118 HydrophobicContact CG-CD1 4.04Å; R48-I119 WeakPolarHBondContact CA-O 3.39Å; R48-D120 IonicContact CZ-OD1 3.39Å; R48-D120 IonicContact NE-OD1 2.98Å; R48-D120 PolarHBondContact NE-OD1 3.14Å; R48-D120 IonicContact NH2-OD1 2.84Å; R48-D120 PolarHBondContact NH2-OD1 3.01Å; R48-D120 IonicContact NH2-OD2 3.06Å; R48-D120 PolarHBondContact NH2-OD2 3.12Å |
| 49 | I | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 130.5 | 166.6 | -56.2 | 178.8 | 0 | 0 | 0 | 107.1 | Y37 N38 V39 I51 L70 F99 Y118 I119 L121 | Y37-I49 HydrophobicContact CD2-CG2 4.42Å; N38-I49 WeakPolarHBondContact O-CA 3.37Å; V39-I49 HydrophobicContact CG2-CG1 4.35Å; I49-I51 HydrophobicContact CG2-CD1 4.12Å; I49-I51 HydrophobicContact CG2-CG1 3.73Å; I49-L70 HydrophobicContact CD1-CD2 3.94Å; I49-F99 HydrophobicContact CD1-CB 4.2Å; I49-F99 HydrophobicContact CD1-CD1 3.91Å; I49-F99 HydrophobicContact CD1-CD2 4.28Å; I49-F99 HydrophobicContact CD1-CE1 4.34Å; I49-F99 HydrophobicContact CD1-CG 3.87Å; I49-F99 HydrophobicContact CG2-CE1 3.99Å; I49-F99 HydrophobicContact CG2-CE2 4.45Å; I49-F99 HydrophobicContact CG2-CZ 3.92Å; I49-Y118 CarbonylContact O-C 3.6Å; I49-Y118 WeakPolarHBondContact O-CA 3.3Å; I49-I119 HydrophobicContact CB-CB 4.38Å; I49-I119 PolarHBondContact N-O 2.96Å; I49-I119 PolarHBondContact O-N 3.34Å; I49-L121 HydrophobicContact CD1-CD1 3.86Å; I49-L121 HydrophobicContact CG1-CD1 3.98Å |
| 50 | A | 96.9 | Very high | 95 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 120.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y37 N38 L117 Y118 L245 | Y37-A50 CarbonylContact C-O 3.57Å; Y37-A50 WeakPolarHBondContact CA-O 3.43Å; Y37-A50 VanDerWaalsContact CB-O 3.3Å; Y37-A50 WeakPolarHBondContact CB-O 3.49Å; N38-A50 PolarHBondContact N-O 3.29Å; N38-A50 PolarHBondContact O-N 3.29Å; A50-L117 CarbonylContact C-O 3.59Å; A50-L117 WeakPolarHBondContact CA-O 3.33Å; A50-Y118 HydrophobicContact CB-CD1 3.74Å; A50-Y118 HydrophobicContact CB-CE1 3.71Å; A50-L245 HydrophobicContact CB-CD1 4.1Å |
| 51 | I | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 128.4 | -174.8 | -48 | 177.9 | 0 | 0 | 0 | 108.8 | P35 I49 V53 V72 F99 L116 L117 I119 | P35-I51 HydrophobicContact CB-CG2 4Å; P35-I51 HydrophobicContact CG-CG2 4.35Å; I49-I51 HydrophobicContact CG2-CD1 4.12Å; I49-I51 HydrophobicContact CG2-CG1 3.73Å; I51-V53 HydrophobicContact CB-CG1 4.25Å; I51-V53 HydrophobicContact CG2-CG1 3.77Å; I51-V53 PolarHBondContact O-N 2.84Å; I51-V72 HydrophobicContact CD1-CB 4.23Å; I51-V72 HydrophobicContact CD1-CG1 4.16Å; I51-V72 HydrophobicContact CD1-CG2 3.88Å; I51-F99 HydrophobicContact CD1-CE2 3.65Å; I51-F99 HydrophobicContact CD1-CZ 3.71Å; I51-F99 HydrophobicContact CG1-CZ 4.23Å; I51-L116 WeakPolarHBondContact O-CA 3.32Å; I51-L117 HydrophobicContact CB-CB 4.43Å; I51-L117 HydrophobicContact CD1-CD2 4.49Å; I51-L117 PolarHBondContact N-O 2.79Å; I51-L117 PolarHBondContact O-N 2.8Å; I51-I119 HydrophobicContact CD1-CD1 4.26Å |
| 52 | A | 96.3 | Very high | 95.4 | Very high | 15 Ų | 15 | 47.8 Ų | 47.8 | 12% | 0.124 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 101.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | P35 P36 L116 A209 L245 | P35-A52 WeakPolarHBondContact CB-O 3.35Å; P36-A52 HydrophobicContact CG-CB 4.07Å; P36-A52 PolarHBondContact O-N 2.66Å; A52-L116 HydrophobicContact CB-CD2 4.18Å; A52-A209 HydrophobicContact CB-CB 3.62Å; A52-L245 HydrophobicContact CB-CD2 3.38Å |
| 53 | V | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -115.9 | 38.8 | 179.7 | -63.4 | 0 | 0 | 0 | 0 | 110 | I51 G55 F56 L61 F95 L112 G115 L117 | I51-V53 HydrophobicContact CB-CG1 4.25Å; I51-V53 HydrophobicContact CG2-CG1 3.77Å; I51-V53 PolarHBondContact O-N 2.84Å; V53-G55 PolarHBondContact O-N 3.47Å; V53-F56 HydrophobicContact CB-CB 4.42Å; V53-F56 HydrophobicContact CB-CD2 4.15Å; V53-F56 WeakPolarHBondContact O-CD2 3.34Å; V53-F56 PolarHBondContact O-N 3.44Å; V53-F56 VanDerWaalsContact O-N 3.09Å; V53-L61 HydrophobicContact CB-CD2 4.37Å; V53-L61 HydrophobicContact CG1-CD2 4.39Å; V53-L61 HydrophobicContact CG2-CD1 4.01Å; V53-F95 HydrophobicContact CB-CZ 4.46Å; V53-F95 HydrophobicContact CG1-CE1 3.97Å; V53-F95 HydrophobicContact CG1-CE2 4.4Å; V53-F95 HydrophobicContact CG1-CZ 3.52Å; V53-L112 HydrophobicContact CG2-CD1 3.56Å; V53-G115 CarbonylContact C-O 3.54Å; V53-G115 PolarHBondContact N-O 2.9Å; V53-L117 HydrophobicContact CG1-CB 4.47Å; V53-L117 HydrophobicContact CG2-CB 3.74Å | ||
| 54 | A | 95.8 | Very high | 95.9 | Very high | 12 Ų | 12 | 46.6 Ų | 46.6 | 10% | 0.099 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 133.1 | 179 | 0 | 0 | 0 | 0 | 0 | 110.6 | G115 A207 A209 N269 L271 | A54-G115 PolarHBondContact N-O 2.87Å; A54-A207 HydrophobicContact CB-CB 4.16Å; A54-A209 HydrophobicContact CB-CB 4.04Å; A54-N269 CarbonylContact C-O 3.43Å; A54-N269 VanDerWaalsContact CA-O 3.26Å; A54-N269 WeakPolarHBondContact CA-O 3.28Å; A54-L271 HydrophobicContact CB-CD2 3.89Å; A54-L271 HydrophobicContact CB-CG 4.44Å |
| 55 | G | 94.6 | Very high | 96 | Very high | 17 Ų | 17 | 42.6 Ų | 42.6 | 18% | 0.175 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | -19.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V53 H76 N269 L271 | V53-G55 PolarHBondContact O-N 3.47Å; G55-H76 PolarHBondContact O-CE1 2.78Å; G55-N269 PolarHBondContact N-O 2.97Å; G55-L271 VanDerWaalsContact CA-CD1 3.42Å |
| 56 | F | 95.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | trans | -86.5 | 131.4 | 176.7 | -66.1 | -92.7 | 0 | 0 | 0 | 111.1 | V53 E60 L61 G74 H76 F95 | V53-F56 HydrophobicContact CB-CB 4.42Å; V53-F56 HydrophobicContact CB-CD2 4.15Å; V53-F56 WeakPolarHBondContact O-CD2 3.34Å; V53-F56 PolarHBondContact O-N 3.44Å; V53-F56 VanDerWaalsContact O-N 3.09Å; F56-E60 WeakPolarHBondContact CA-OE2 3.09Å; F56-E60 HydrophobicContact CD1-CB 4.2Å; F56-L61 HydrophobicContact CB-CD1 4.37Å; F56-L61 HydrophobicContact CB-CD2 3.79Å; F56-L61 HydrophobicContact CB-CG 4.04Å; F56-L61 HydrophobicContact CD1-CD2 4.24Å; F56-L61 HydrophobicContact CG-CD2 4.05Å; F56-G74 VanDerWaalsContact CE1-C 3.49Å; F56-H76 AromaticContact CD1-CE1 3.72Å; F56-H76 AromaticContact CE1-CD2 3.93Å; F56-H76 AromaticContact CE1-CE1 3.78Å; F56-H76 AromaticContact CE1-NE2 3.62Å; F56-H76 AromaticContact CE2-NE2 3.98Å; F56-H76 AromaticContact CZ-NE2 3.59Å; F56-F95 HydrophobicContact CD1-CE1 4.33Å; F56-F95 AromaticContact CD2-CE1 3.96Å; F56-F95 HydrophobicContact CD2-CE1 3.96Å; F56-F95 HydrophobicContact CE1-CD1 4.23Å; F56-F95 HydrophobicContact CE1-CE1 4.05Å; F56-F95 AromaticContact CE2-CD1 3.86Å; F56-F95 HydrophobicContact CE2-CD1 3.86Å; F56-F95 AromaticContact CE2-CE1 3.65Å; F56-F95 HydrophobicContact CE2-CE1 3.65Å; F56-F95 HydrophobicContact CG-CE1 4.29Å; F56-F95 AromaticContact CZ-CD1 3.65Å; F56-F95 HydrophobicContact CZ-CD1 3.65Å; F56-F95 AromaticContact CZ-CE1 3.7Å; F56-F95 HydrophobicContact CZ-CE1 3.7Å | ||
| 57 | A | 94.5 | Very high | 95.6 | Very high | 26 Ų | 26 | 49.8 Ų | 49.8 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | trans | -77 | 160.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | S59 E60 | A57-S59 PolarHBondContact O-N 2.88Å; A57-E60 HydrophobicContact CB-CG 4.27Å; A57-E60 PolarHBondContact N-OE2 3.06Å; A57-E60 WeakPolarHBondContact O-CB 3.36Å; A57-E60 PolarHBondContact O-N 2.91Å | ||
| 58 | E | 95.2 | Very high | 95.3 | Very high | 152 Ų | 152 | 52.6 Ų | 52.6 | 71% | 0.71 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -57.4 | -37.4 | 177.9 | -173.5 | 176.2 | 177.8 | 0 | 0 | 112.4 | E60 L61 L112 | E58-E60 PolarHBondContact O-N 2.84Å; E58-L61 PolarHBondContact O-N 2.67Å; E58-L112 HydrophobicContact CB-CD2 4.18Å |
| 59 | S | 95.7 | Very high | 95.1 | Very high | 117 Ų | 117 | 51.8 Ų | 51.8 | 82% | 0.818 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -69 | -15.1 | 177.1 | 56.9 | 0 | 0 | 0 | 0 | 114.6 | A57 | A57-S59 PolarHBondContact O-N 2.88Š|
| 60 | E | 95.9 | Very high | 95 | Very high | 46 Ų | 46 | 51.8 Ų | 51.8 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -94.3 | -0.9 | 178.6 | -65.1 | 179 | 127.6 | 0 | 0 | 112.1 | F56 A57 E58 G74 A75 H76 | F56-E60 WeakPolarHBondContact CA-OE2 3.09Å; F56-E60 HydrophobicContact CD1-CB 4.2Å; A57-E60 HydrophobicContact CB-CG 4.27Å; A57-E60 PolarHBondContact N-OE2 3.06Å; A57-E60 WeakPolarHBondContact O-CB 3.36Å; A57-E60 PolarHBondContact O-N 2.91Å; E58-E60 PolarHBondContact O-N 2.84Å; E60-G74 WeakPolarHBondContact O-CA 3.29Å; E60-A75 WeakPolarHBondContact CB-O 3.29Å; E60-A75 PolarHBondContact O-N 2.83Å; E60-H76 WeakPolarHBondContact OE1-CA 3.46Å; E60-H76 IonicContact OE1-CG 3.63Å; E60-H76 IonicContact OE1-ND1 3.83Å; E60-H76 PolarHBondContact OE1-ND1 2.81Å; E60-H76 IonicContact OE2-CE1 2.66Å; E60-H76 IonicContact OE2-ND1 3.61Å; E60-H76 PolarHBondContact OE2-ND1 2.94Å |
| 61 | L | 97.6 | Very high | 95 | Very high | 28 Ų | 28 | 52.2 Ų | 52.2 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 133.6 | -177.9 | -63.4 | 173.4 | 0 | 0 | 0 | 110.7 | V53 F56 E58 K73 F95 L112 | V53-L61 HydrophobicContact CB-CD2 4.37Å; V53-L61 HydrophobicContact CG1-CD2 4.39Å; V53-L61 HydrophobicContact CG2-CD1 4.01Å; F56-L61 HydrophobicContact CB-CD1 4.37Å; F56-L61 HydrophobicContact CB-CD2 3.79Å; F56-L61 HydrophobicContact CB-CG 4.04Å; F56-L61 HydrophobicContact CD1-CD2 4.24Å; F56-L61 HydrophobicContact CG-CD2 4.05Å; E58-L61 PolarHBondContact O-N 2.67Å; L61-K73 WeakPolarHBondContact CA-O 3.05Å; L61-F95 HydrophobicContact CD2-CE1 4.25Å; L61-F95 HydrophobicContact CD2-CZ 3.91Å; L61-L112 HydrophobicContact CD1-CD1 4.15Å; L61-L112 HydrophobicContact CD1-CD2 4.05Å |
| 62 | E | 97.7 | Very high | 95 | Very high | 107 Ų | 107 | 52.2 Ų | 52.2 | 50% | 0.5 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 130.3 | 174.5 | -170.2 | -173 | 168.9 | 0 | 0 | 109.4 | T64 V72 K73 | E62-T64 HydrophobicContact CG-CG2 4.25Å; E62-V72 CarbonylContact O-C 3.56Å; E62-V72 WeakPolarHBondContact O-CA 3.38Å; E62-K73 HydrophobicContact CB-CB 4.34Å; E62-K73 PolarHBondContact N-O 3.14Å; E62-K73 PolarHBondContact O-N 3.44Å |
| 63 | I | 98 | Very high | 95 | Very high | 61 Ų | 61 | 55.2 Ų | 55.2 | 31% | 0.313 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 119.8 | 177.4 | -53.3 | 173.4 | 0 | 0 | 0 | 107.8 | L70 V71 V72 A110 L117 I119 | I63-L70 HydrophobicContact CG2-CD1 3.55Å; I63-V71 WeakPolarHBondContact CA-O 3.49Å; I63-V72 HydrophobicContact CG1-CG1 4.48Å; I63-A110 HydrophobicContact CD1-CB 3.57Å; I63-L117 HydrophobicContact CD1-CD1 3.97Å; I63-L117 HydrophobicContact CD1-CD2 3.85Å; I63-L117 HydrophobicContact CD1-CG 4.39Å; I63-L117 HydrophobicContact CG1-CD2 4.28Å; I63-I119 HydrophobicContact CD1-CD1 4.26Å; I63-I119 HydrophobicContact CD1-CG1 4.39Å; I63-I119 HydrophobicContact CG2-CD1 4.3Å |
| 64 | T | 97.1 | Very high | 95 | Very high | 55 Ų | 55 | 55.3 Ų | 55.3 | 34% | 0.337 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 138 | 176.9 | 52.4 | 0 | 0 | 0 | 0 | 109.6 | E62 L70 V71 | E62-T64 HydrophobicContact CG-CG2 4.25Å; T64-L70 CarbonylContact O-C 3.57Å; T64-L70 WeakPolarHBondContact O-CA 3.13Å; T64-V71 PolarHBondContact N-O 2.81Å; T64-V71 PolarHBondContact O-N 3.3Å |
| 65 | A | 92.5 | Very high | 94.9 | Very high | 65 Ų | 65 | 57.1 Ų | 57.1 | 54% | 0.537 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 111.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | L69 L70 V107 | A65-L69 WeakPolarHBondContact CA-O 3.46Å; A65-L70 HydrophobicContact CB-CD1 4.32Å; A65-V107 HydrophobicContact CB-CG2 3.97Å |
| 66 | Q | 90.4 | Very high | 94.6 | Very high | 138 Ų | 138 | 58.5 Ų | 58.5 | 65% | 0.645 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 139.7 | -179.2 | -175.4 | -175.1 | -24.9 | 0 | 0 | 109.6 | N68 L69 | Q66-N68 PolarHBondContact O-N 2.84Å; Q66-L69 PolarHBondContact N-O 2.81Å; Q66-L69 WeakPolarHBondContact O-CA 3.34Å; Q66-L69 WeakPolarHBondContact O-CB 3.44Å; Q66-L69 PolarHBondContact O-N 3.21Å |
| 67 | D | 89.5 | Confident | 93.7 | Very high | 127 Ų | 127 | 62.7 Ų | 62.7 | 68% | 0.679 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 45.2 | 174.3 | -56.9 | -37.4 | 0 | 0 | 0 | 112.7 | L69 | D67-L69 PolarHBondContact O-N 3.34Å; D67-L69 VanDerWaalsContact O-N 3.07Å |
| 68 | N | 89.3 | Confident | 92.4 | Very high | 62 Ų | 62 | 67 Ų | 67 | 33% | 0.332 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 14.7 | -177.1 | -57.9 | 95 | 0 | 0 | 0 | 114.7 | Q66 Q100 L101 A102 E103 | Q66-N68 PolarHBondContact O-N 2.84Å; N68-Q100 PolarHBondContact O-NE2 3.35Å; N68-L101 WeakPolarHBondContact CB-O 3.48Å; N68-L101 WeakPolarHBondContact O-CA 3.38Å; N68-L101 WeakPolarHBondContact O-CB 3.44Å; N68-L101 PolarHBondContact O-N 3.26Å; N68-A102 PolarHBondContact ND2-O 3.37Å; N68-A102 VanDerWaalsContact ND2-O 3.14Å; N68-E103 WeakPolarHBondContact ND2-CA 3.28Å |
| 69 | L | 93.7 | Very high | 90.8 | Very high | 53 Ų | 53 | 66.3 Ų | 66.3 | 28% | 0.277 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 118.1 | 173.4 | -171.4 | 68.5 | 0 | 0 | 0 | 109.4 | A65 Q66 D67 V71 K98 | A65-L69 WeakPolarHBondContact CA-O 3.46Å; Q66-L69 PolarHBondContact N-O 2.81Å; Q66-L69 WeakPolarHBondContact O-CA 3.34Å; Q66-L69 WeakPolarHBondContact O-CB 3.44Å; Q66-L69 PolarHBondContact O-N 3.21Å; D67-L69 PolarHBondContact O-N 3.34Å; D67-L69 VanDerWaalsContact O-N 3.07Å; L69-V71 HydrophobicContact CD2-CG2 3.83Å; L69-V71 HydrophobicContact CG-CG2 3.85Å; L69-K98 HydrophobicContact CD1-CB 4.13Å; L69-K98 HydrophobicContact CD2-CD 4.3Å |
| 70 | L | 95.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 120.5 | 168.4 | 171.1 | 65.9 | 0 | 0 | 0 | 108.6 | I49 I63 T64 A65 V72 K98 F99 L101 V107 I119 L121 | I49-L70 HydrophobicContact CD1-CD2 3.94Å; I63-L70 HydrophobicContact CG2-CD1 3.55Å; T64-L70 CarbonylContact O-C 3.57Å; T64-L70 WeakPolarHBondContact O-CA 3.13Å; A65-L70 HydrophobicContact CB-CD1 4.32Å; L70-V72 HydrophobicContact CG-CG2 4.41Å; L70-K98 CarbonylContact O-C 3.54Å; L70-K98 WeakPolarHBondContact O-CA 3.21Å; L70-F99 HydrophobicContact CB-CB 4.21Å; L70-F99 HydrophobicContact CD2-CB 4.39Å; L70-F99 HydrophobicContact CD2-CD2 4.1Å; L70-F99 HydrophobicContact CG-CD2 4.21Å; L70-F99 PolarHBondContact N-O 3.34Å; L70-F99 PolarHBondContact O-N 3.03Å; L70-L101 HydrophobicContact CB-CD1 3.95Å; L70-L101 HydrophobicContact CB-CD2 4.25Å; L70-L101 HydrophobicContact CB-CG 4.04Å; L70-V107 HydrophobicContact CD1-CG2 4.03Å; L70-I119 HydrophobicContact CD2-CD1 4.01Å; L70-I119 HydrophobicContact CD2-CG2 4.06Å; L70-L121 HydrophobicContact CD2-CD2 4.47Å |
| 71 | V | 95.4 | Very high | 87.3 | Confident | 15 Ų | 15 | 74.2 Ų | 74.2 | 9% | 0.091 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125.8 | 177.4 | -170.2 | 0 | 0 | 0 | 0 | 108.8 | I63 T64 L69 K73 E96 R97 K98 | I63-V71 WeakPolarHBondContact CA-O 3.49Å; T64-V71 PolarHBondContact N-O 2.81Å; T64-V71 PolarHBondContact O-N 3.3Å; L69-V71 HydrophobicContact CD2-CG2 3.83Å; L69-V71 HydrophobicContact CG-CG2 3.85Å; V71-K73 HydrophobicContact CG1-CG 4.05Å; V71-E96 HydrophobicContact CG1-CG 3.76Å; V71-R97 CarbonylContact C-O 3.51Å; V71-R97 WeakPolarHBondContact CA-O 3.34Å; V71-K98 HydrophobicContact CG1-CG 4.17Å; V71-K98 HydrophobicContact CG2-CG 4.14Å |
| 72 | V | 97.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121 | 175.4 | -175.8 | 0 | 0 | 0 | 0 | 107.7 | I51 E62 I63 L70 F95 E96 R97 F99 L117 I119 | I51-V72 HydrophobicContact CD1-CB 4.23Å; I51-V72 HydrophobicContact CD1-CG1 4.16Å; I51-V72 HydrophobicContact CD1-CG2 3.88Å; E62-V72 CarbonylContact O-C 3.56Å; E62-V72 WeakPolarHBondContact O-CA 3.38Å; I63-V72 HydrophobicContact CG1-CG1 4.48Å; L70-V72 HydrophobicContact CG-CG2 4.41Å; V72-F95 HydrophobicContact CG1-CE2 4.02Å; V72-F95 HydrophobicContact CG1-CZ 4.41Å; V72-E96 CarbonylContact O-C 3.58Å; V72-E96 WeakPolarHBondContact O-CA 3.33Å; V72-R97 HydrophobicContact CB-CB 4.44Å; V72-R97 PolarHBondContact N-O 2.97Å; V72-R97 PolarHBondContact O-N 3.46Å; V72-F99 HydrophobicContact CG2-CD2 4.46Å; V72-F99 HydrophobicContact CG2-CE2 4.08Å; V72-L117 HydrophobicContact CG1-CD2 3.65Å; V72-I119 HydrophobicContact CG2-CD1 3.56Å |
| 73 | K | 97 | Very high | 85.5 | Confident | 78 Ų | 78 | 82.9 Ų | 82.9 | 34% | 0.339 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 144.3 | 176.8 | -52.6 | -170.5 | -169.1 | -148.8 | 0 | 109.9 | L61 E62 V71 F95 E96 | L61-K73 WeakPolarHBondContact CA-O 3.05Å; E62-K73 HydrophobicContact CB-CB 4.34Å; E62-K73 PolarHBondContact N-O 3.14Å; E62-K73 PolarHBondContact O-N 3.44Å; V71-K73 HydrophobicContact CG1-CG 4.05Å; K73-F95 VanDerWaalsContact CA-O 3.31Å; K73-F95 WeakPolarHBondContact CA-O 3.4Å; K73-E96 WeakPolarHBondContact CE-OE2 3.47Å; K73-E96 HydrophobicContact CG-CB 4.39Å; K73-E96 HydrophobicContact CG-CG 4.11Å; K73-E96 IonicContact NZ-OE2 2.77Å; K73-E96 PolarHBondContact NZ-OE2 3.31Å |
| 74 | G | 96.5 | Very high | 85.1 | Confident | 1 Ų | 1 | 84.2 Ų | 84.2 | 1% | 0.01 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 131.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | F56 E60 N94 F95 | F56-G74 VanDerWaalsContact CE1-C 3.49Å; E60-G74 WeakPolarHBondContact O-CA 3.29Å; G74-N94 CarbonylContact O-C 3.56Å; G74-N94 VanDerWaalsContact O-CA 3.22Å; G74-N94 WeakPolarHBondContact O-CA 3.37Å; G74-N94 WeakPolarHBondContact O-CB 3.29Å; G74-F95 PolarHBondContact N-O 3.07Å; G74-F95 PolarHBondContact O-N 2.88Å |
| 75 | A | 94.8 | Very high | 84.9 | Confident | 50 Ų | 50 | 84.7 Ų | 84.7 | 41% | 0.413 | 44% | 0.439 | S | S | . | . | trans | -141.2 | 127.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E60 N94 | E60-A75 WeakPolarHBondContact CB-O 3.29Å; E60-A75 PolarHBondContact O-N 2.83Å; A75-N94 VanDerWaalsContact CA-OD1 3.31Å; A75-N94 WeakPolarHBondContact CA-OD1 3.32Å; A75-N94 HydrophobicContact CB-CB 4.45Å | ||
| 76 | H | 88.2 | Confident | 84.9 | Confident | 46 Ų | 46 | 86.3 Ų | 86.3 | 21% | 0.213 | 44% | 0.438 | C | S | . | . | trans | -76.5 | 134.7 | 173.4 | -71.1 | -56 | 0 | 0 | 0 | 110.3 | G55 F56 E60 D78 N94 | G55-H76 PolarHBondContact O-CE1 2.78Å; F56-H76 AromaticContact CD1-CE1 3.72Å; F56-H76 AromaticContact CE1-CD2 3.93Å; F56-H76 AromaticContact CE1-CE1 3.78Å; F56-H76 AromaticContact CE1-NE2 3.62Å; F56-H76 AromaticContact CE2-NE2 3.98Å; F56-H76 AromaticContact CZ-NE2 3.59Å; E60-H76 WeakPolarHBondContact OE1-CA 3.46Å; E60-H76 IonicContact OE1-CG 3.63Å; E60-H76 IonicContact OE1-ND1 3.83Å; E60-H76 PolarHBondContact OE1-ND1 2.81Å; E60-H76 IonicContact OE2-CE1 2.66Å; E60-H76 IonicContact OE2-ND1 3.61Å; E60-H76 PolarHBondContact OE2-ND1 2.94Å; H76-D78 VanDerWaalsContact C-N 3.28Å; H76-D78 PolarHBondContact O-N 3.17Å; H76-N94 PolarHBondContact N-OD1 2.92Å; H76-N94 VanDerWaalsContact N-OD1 3.16Å | ||
| 77 | A | 76.5 | Confident | 85 | Confident | 90 Ų | 90 | 84 Ų | 84 | 74% | 0.744 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -66.5 | -32.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 78 | D | 67.5 | Low | 85.1 | Confident | 115 Ų | 115 | 83.1 Ų | 83.1 | 62% | 0.615 | 42% | 0.416 | S | S | * | . | trans | -113.8 | 62.3 | -170.1 | -71.4 | -18.4 | 0 | 0 | 0 | 112.2 | H76 Q80 | H76-D78 VanDerWaalsContact C-N 3.28Å; H76-D78 PolarHBondContact O-N 3.17Å; D78-Q80 PolarHBondContact O-N 2.82Å | ||
| 79 | E | 61.1 | Low | 85.2 | Confident | 138 Ų | 138 | 81.9 Ų | 81.9 | 65% | 0.645 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -11.1 | 172.3 | -72.1 | -175.6 | 165 | 0 | 0 | 113.6 | N94 | E79-N94 PolarHBondContact OE1-ND2 3.04Š|
| 80 | Q | 52.3 | Low | 85.1 | Confident | 183 Ų | 183 | 80 Ų | 80 | 86% | 0.855 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 2.6 | -161.3 | -66.7 | 172 | 1.2 | 0 | 0 | 115.8 | D78 E82 | D78-Q80 PolarHBondContact O-N 2.82Å; Q80-E82 PolarHBondContact O-N 2.74Å |
| 81 | K | 65.6 | Low | 84.5 | Confident | 147 Ų | 147 | 81.7 Ų | 81.7 | 64% | 0.639 | 42% | 0.422 | S | S | * | . | trans | -81.5 | 102.3 | 172.5 | -71.1 | -179.1 | -175.1 | 168.8 | 0 | 108.6 | R83 | K81-R83 PolarHBondContact O-N 2.74Š| ||
| 82 | E | 73.1 | Confident | 83.9 | Confident | 201 Ų | 201 | 83.6 Ų | 83.6 | 94% | 0.939 | 43% | 0.429 | S | S | * | . | trans | -55.3 | 111 | 167.6 | -75.4 | -173.6 | 173.3 | 0 | 0 | 108.9 | Q80 | Q80-E82 PolarHBondContact O-N 2.74Š| ||
| 83 | R | 83.6 | Confident | 83.4 | Confident | 115 Ų | 115 | 88 Ų | 88 | 43% | 0.434 | 45% | 0.446 | S | S | . | . | trans | -108.4 | 134.5 | 175.8 | -70.2 | 178.3 | -174.7 | 177.2 | 16.7 | 108.9 | K81 Y85 E92 E195 | K81-R83 PolarHBondContact O-N 2.74Å; R83-Y85 HydrophobicContact CB-CD2 4.38Å; R83-Y85 HydrophobicContact CB-CE2 3.76Å; R83-Y85 WeakPolarHBondContact CD-OH 3.32Å; R83-E92 IonicContact CZ-OE2 3.57Å; R83-E92 IonicContact NH1-OE1 2.8Å; R83-E92 IonicContact NH1-OE2 2.73Å; R83-E92 PolarHBondContact NH1-OE2 2.84Å; R83-E195 WeakPolarHBondContact CD-OE2 3.43Å; R83-E195 IonicContact NE-OE2 3.64Å; R83-E195 IonicContact NH1-OE2 2.89Å | ||
| 84 | T | 91.1 | Very high | 83.3 | Confident | 90 Ų | 90 | 87.1 Ų | 87.1 | 55% | 0.552 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 109.5 | 173.1 | -60 | 0 | 0 | 0 | 0 | 108.9 | K196 | T84-K196 PolarHBondContact O-N 3.39Å |
| 85 | Y | 91.3 | Very high | 83.2 | Confident | 64 Ų | 64 | 87.6 Ų | 87.6 | 25% | 0.251 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 126.6 | 174.9 | -65.7 | -81 | 0 | 0 | 0 | 110.4 | R83 Q88 E92 N193 E195 | R83-Y85 HydrophobicContact CB-CD2 4.38Å; R83-Y85 HydrophobicContact CB-CE2 3.76Å; R83-Y85 WeakPolarHBondContact CD-OH 3.32Å; Y85-Q88 HydrophobicContact CD1-CB 4.2Å; Y85-Q88 HydrophobicContact CD1-CG 4.18Å; Y85-Q88 HydrophobicContact CE1-CG 4.41Å; Y85-Q88 HydrophobicContact CG-CB 4.13Å; Y85-Q88 HydrophobicContact CG-CG 4.3Å; Y85-E92 VanDerWaalsContact OH-CD 3.26Å; Y85-E92 PolarHBondContact OH-OE1 2.84Å; Y85-E92 PolarHBondContact OH-OE2 3.41Å; Y85-N193 HydrophobicContact CD1-CB 4.16Å; Y85-N193 HydrophobicContact CE1-CB 4.05Å; Y85-E195 HydrophobicContact CD1-CG 3.63Å; Y85-E195 HydrophobicContact CE1-CG 3.44Å; Y85-E195 VanDerWaalsContact CE1-CG 3.44Å |
| 86 | L | 92.9 | Very high | 83.2 | Confident | 99 Ų | 99 | 89.2 Ų | 89.2 | 52% | 0.518 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -30.7 | 164.1 | -58.4 | -178.3 | 0 | 0 | 0 | 110.8 | I194 K196 Y202 | L86-I194 HydrophobicContact CB-CB 4.39Å; L86-I194 HydrophobicContact CB-CG2 4.22Å; L86-I194 HydrophobicContact CD1-CG2 4.19Å; L86-I194 PolarHBondContact N-O 3.33Å; L86-K196 HydrophobicContact CD1-CB 4.22Å; L86-K196 HydrophobicContact CD2-CB 4.23Å; L86-K196 HydrophobicContact CG-CB 4.05Å; L86-Y202 HydrophobicContact CD1-CD1 3.86Å; L86-Y202 HydrophobicContact CD1-CE1 3.85Å |
| 87 | Y | 92.5 | Very high | 83.5 | Confident | 90 Ų | 90 | 89.4 Ų | 89.4 | 35% | 0.353 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 137 | 173 | 177.5 | -98.5 | 0 | 0 | 0 | 109.2 | Y192 N193 I194 | Y87-Y192 AromaticContact CD1-CD2 3.62Å; Y87-Y192 HydrophobicContact CD1-CD2 3.62Å; Y87-Y192 AromaticContact CD1-CE2 3.28Å; Y87-Y192 HydrophobicContact CD1-CE2 3.28Å; Y87-Y192 HydrophobicContact CD1-CG 4.46Å; Y87-Y192 AromaticContact CD1-CZ 3.9Å; Y87-Y192 WeakPolarHBondContact CD1-O 3.04Å; Y87-Y192 HydrophobicContact CE1-CD1 4.26Å; Y87-Y192 AromaticContact CE1-CD2 3.69Å; Y87-Y192 HydrophobicContact CE1-CD2 3.69Å; Y87-Y192 AromaticContact CE1-CE1 3.94Å; Y87-Y192 HydrophobicContact CE1-CE1 3.94Å; Y87-Y192 AromaticContact CE1-CE2 3.32Å; Y87-Y192 HydrophobicContact CE1-CE2 3.32Å; Y87-Y192 HydrophobicContact CE1-CG 4.14Å; Y87-Y192 AromaticContact CE1-CZ 3.46Å; Y87-Y192 VanDerWaalsContact CE1-CZ 3.46Å; Y87-Y192 WeakPolarHBondContact CE1-O 2.83Å; Y87-Y192 HydrophobicContact CG-CE2 4.2Å; Y87-N193 CarbonylContact O-C 3.57Å; Y87-N193 WeakPolarHBondContact O-CA 3.43Å; Y87-I194 PolarHBondContact N-O 2.79Å; Y87-I194 PolarHBondContact O-N 3.07Å |
| 88 | Q | 91.8 | Very high | 84.3 | Confident | 109 Ų | 109 | 90.6 Ų | 90.6 | 51% | 0.509 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 111.7 | 178.7 | -167.4 | -179.8 | 17 | 0 | 0 | 110 | Y85 N193 | Y85-Q88 HydrophobicContact CD1-CB 4.2Å; Y85-Q88 HydrophobicContact CD1-CG 4.18Å; Y85-Q88 HydrophobicContact CE1-CG 4.41Å; Y85-Q88 HydrophobicContact CG-CB 4.13Å; Y85-Q88 HydrophobicContact CG-CG 4.3Å; Q88-N193 VanDerWaalsContact CA-OD1 3.26Å; Q88-N193 WeakPolarHBondContact CA-OD1 3.38Å |
| 89 | G | 91.7 | Very high | 85.6 | Confident | 35 Ų | 35 | 85.3 Ų | 85.3 | 36% | 0.361 | 40% | 0.404 | S | S | . | . | trans | -118.4 | -16.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | P191 Y192 N193 | G89-P191 WeakPolarHBondContact O-CB 3.42Å; G89-Y192 VanDerWaalsContact CA-O 3.28Å; G89-Y192 WeakPolarHBondContact CA-O 3.36Å; G89-Y192 PolarHBondContact N-O 2.82Å; G89-N193 PolarHBondContact N-OD1 2.8Å | ||
| 90 | I | 90.5 | Very high | 87.1 | Confident | 14 Ų | 14 | 82.9 Ų | 82.9 | 7% | 0.072 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -95.2 | 127.3 | 175.5 | -54.9 | 165 | 0 | 0 | 0 | 108.8 | E92 P191 N193 T205 A207 L271 | I90-E92 HydrophobicContact CG2-CG 4.37Å; I90-E92 PolarHBondContact O-N 2.72Å; I90-E92 VanDerWaalsContact O-N 3.13Å; I90-P191 HydrophobicContact CG1-CB 4.1Å; I90-P191 HydrophobicContact CG1-CG 4.45Å; I90-P191 WeakPolarHBondContact CG1-O 3.44Å; I90-N193 PolarHBondContact N-OD1 3.31Å; I90-T205 HydrophobicContact CD1-CG2 3.95Å; I90-T205 WeakPolarHBondContact CD1-O 3.22Å; I90-A207 HydrophobicContact CD1-CB 3.84Å; I90-A207 HydrophobicContact CG1-CB 3.95Å; I90-A207 HydrophobicContact CG2-CB 4.26Å; I90-L271 HydrophobicContact CD1-CD2 4.39Å |
| 91 | A | 84 | Confident | 89 | Confident | 36 Ų | 36 | 74.8 Ų | 74.8 | 30% | 0.298 | 36% | 0.356 | S | S | . | . | trans | -79.6 | 89.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y34 R93 | Y34-A91 HydrophobicContact CD2-CB 4.27Å; Y34-A91 HydrophobicContact CE1-CB 4.39Å; Y34-A91 HydrophobicContact CE2-CB 4.15Å; Y34-A91 HydrophobicContact CG-CB 4.49Å; Y34-A91 PolarHBondContact OH-O 2.57Å; A91-R93 HydrophobicContact CB-CG 4.29Å; A91-R93 PolarHBondContact O-N 2.72Å | ||
| 92 | E | 82.1 | Confident | 90.1 | Very high | 55 Ų | 55 | 69 Ų | 69 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | trans | -77.6 | 40.9 | 177 | -62.2 | -175.4 | -157.5 | 0 | 0 | 112.8 | R83 Y85 I90 N193 | R83-E92 IonicContact CZ-OE2 3.57Å; R83-E92 IonicContact NH1-OE1 2.8Å; R83-E92 IonicContact NH1-OE2 2.73Å; R83-E92 PolarHBondContact NH1-OE2 2.84Å; Y85-E92 VanDerWaalsContact OH-CD 3.26Å; Y85-E92 PolarHBondContact OH-OE1 2.84Å; Y85-E92 PolarHBondContact OH-OE2 3.41Å; I90-E92 HydrophobicContact CG2-CG 4.37Å; I90-E92 PolarHBondContact O-N 2.72Å; I90-E92 VanDerWaalsContact O-N 3.13Å; E92-N193 PolarHBondContact OE1-ND2 2.91Å | ||
| 93 | R | 87.6 | Confident | 90.8 | Very high | 92 Ų | 92 | 66.6 Ų | 66.6 | 35% | 0.347 | 32% | 0.324 | S | S | . | . | trans | -106.1 | 150.9 | -177.3 | 64.8 | -176.3 | 175.1 | -179.6 | 1.5 | 111.4 | N31 Y34 A91 | N31-R93 PolarHBondContact OD1-NH1 2.82Å; N31-R93 PolarHBondContact OD1-NH2 2.88Å; Y34-R93 HydrophobicContact CD1-CG 4.46Å; Y34-R93 HydrophobicContact CE1-CG 4.23Å; A91-R93 HydrophobicContact CB-CG 4.29Å; A91-R93 PolarHBondContact O-N 2.72Å | ||
| 94 | N | 93.8 | Very high | 91.1 | Very high | 60 Ų | 60 | 63.6 Ų | 63.6 | 32% | 0.321 | 32% | 0.317 | S | S | . | . | trans | -56 | 149.5 | 167.6 | -58.5 | -12.2 | 0 | 0 | 0 | 110.2 | G74 A75 H76 E79 | G74-N94 CarbonylContact O-C 3.56Å; G74-N94 VanDerWaalsContact O-CA 3.22Å; G74-N94 WeakPolarHBondContact O-CA 3.37Å; G74-N94 WeakPolarHBondContact O-CB 3.29Å; A75-N94 VanDerWaalsContact CA-OD1 3.31Å; A75-N94 WeakPolarHBondContact CA-OD1 3.32Å; A75-N94 HydrophobicContact CB-CB 4.45Å; H76-N94 PolarHBondContact N-OD1 2.92Å; H76-N94 VanDerWaalsContact N-OD1 3.16Å; E79-N94 PolarHBondContact OE1-ND2 3.04Å | ||
| 95 | F | 95.1 | Very high | 91.1 | Very high | 10 Ų | 10 | 59.8 Ų | 59.8 | 4% | 0.044 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 157.5 | -180 | 73.4 | -93.4 | 0 | 0 | 0 | 112.1 | Y34 P35 V53 F56 L61 V72 K73 G74 R97 | Y34-F95 HydrophobicContact CD1-CB 4.26Å; Y34-F95 HydrophobicContact CE1-CB 4.13Å; Y34-F95 HydrophobicContact CE1-CD1 4.36Å; P35-F95 VanDerWaalsContact CD-CD2 3.45Å; P35-F95 HydrophobicContact CG-CB 4.16Å; P35-F95 HydrophobicContact CG-CD1 3.66Å; P35-F95 HydrophobicContact CG-CD2 3.57Å; P35-F95 HydrophobicContact CG-CE1 3.87Å; P35-F95 HydrophobicContact CG-CE2 3.81Å; P35-F95 HydrophobicContact CG-CG 3.51Å; P35-F95 HydrophobicContact CG-CZ 3.96Å; V53-F95 HydrophobicContact CB-CZ 4.46Å; V53-F95 HydrophobicContact CG1-CE1 3.97Å; V53-F95 HydrophobicContact CG1-CE2 4.4Å; V53-F95 HydrophobicContact CG1-CZ 3.52Å; F56-F95 HydrophobicContact CD1-CE1 4.33Å; F56-F95 AromaticContact CD2-CE1 3.96Å; F56-F95 HydrophobicContact CD2-CE1 3.96Å; F56-F95 HydrophobicContact CE1-CD1 4.23Å; F56-F95 HydrophobicContact CE1-CE1 4.05Å; F56-F95 AromaticContact CE2-CD1 3.86Å; F56-F95 HydrophobicContact CE2-CD1 3.86Å; F56-F95 AromaticContact CE2-CE1 3.65Å; F56-F95 HydrophobicContact CE2-CE1 3.65Å; F56-F95 HydrophobicContact CG-CE1 4.29Å; F56-F95 AromaticContact CZ-CD1 3.65Å; F56-F95 HydrophobicContact CZ-CD1 3.65Å; F56-F95 AromaticContact CZ-CE1 3.7Å; F56-F95 HydrophobicContact CZ-CE1 3.7Å; L61-F95 HydrophobicContact CD2-CE1 4.25Å; L61-F95 HydrophobicContact CD2-CZ 3.91Å; V72-F95 HydrophobicContact CG1-CE2 4.02Å; V72-F95 HydrophobicContact CG1-CZ 4.41Å; K73-F95 VanDerWaalsContact CA-O 3.31Å; K73-F95 WeakPolarHBondContact CA-O 3.4Å; G74-F95 PolarHBondContact N-O 3.07Å; G74-F95 PolarHBondContact O-N 2.88Å; F95-R97 HydrophobicContact CD2-CG 4.32Å |
| 96 | E | 95.2 | Very high | 91.2 | Very high | 85 Ų | 85 | 61.6 Ų | 61.6 | 40% | 0.397 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 121.2 | 167.5 | 179.5 | 172 | 117.5 | 0 | 0 | 107.4 | V71 V72 K73 K98 | V71-E96 HydrophobicContact CG1-CG 3.76Å; V72-E96 CarbonylContact O-C 3.58Å; V72-E96 WeakPolarHBondContact O-CA 3.33Å; K73-E96 WeakPolarHBondContact CE-OE2 3.47Å; K73-E96 HydrophobicContact CG-CB 4.39Å; K73-E96 HydrophobicContact CG-CG 4.11Å; K73-E96 IonicContact NZ-OE2 2.77Å; K73-E96 PolarHBondContact NZ-OE2 3.31Å; E96-K98 HydrophobicContact CG-CG 4.5Å; E96-K98 WeakPolarHBondContact OE1-CE 3.47Å; E96-K98 IonicContact OE1-NZ 2.74Å; E96-K98 PolarHBondContact OE1-NZ 3Å |
| 97 | R | 94.1 | Very high | 91.3 | Very high | 50 Ų | 50 | 59.4 Ų | 59.4 | 19% | 0.189 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 133.9 | 173.4 | -86.4 | -64.4 | -159.2 | 175.4 | 6.2 | 109.5 | G33 Y34 P35 V71 V72 F95 F99 | G33-R97 PolarHBondContact O-NH2 2.78Å; Y34-R97 PolarHBondContact O-NE 2.86Å; P35-R97 PolarHBondContact O-NE 3.29Å; P35-R97 PolarHBondContact O-NH2 2.78Å; V71-R97 CarbonylContact C-O 3.51Å; V71-R97 WeakPolarHBondContact CA-O 3.34Å; V72-R97 HydrophobicContact CB-CB 4.44Å; V72-R97 PolarHBondContact N-O 2.97Å; V72-R97 PolarHBondContact O-N 3.46Å; F95-R97 HydrophobicContact CD2-CG 4.32Å; R97-F99 HydrophobicContact CB-CE2 3.86Å; R97-F99 HydrophobicContact CB-CZ 4.16Å |
| 98 | K | 94.5 | Very high | 91.5 | Very high | 115 Ų | 115 | 63.2 Ų | 63.2 | 50% | 0.5 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 134.1 | 179.2 | -67.5 | -177.1 | 172.9 | 150.5 | 0 | 109.7 | L69 L70 V71 E96 | L69-K98 HydrophobicContact CD1-CB 4.13Å; L69-K98 HydrophobicContact CD2-CD 4.3Å; L70-K98 CarbonylContact O-C 3.54Å; L70-K98 WeakPolarHBondContact O-CA 3.21Å; V71-K98 HydrophobicContact CG1-CG 4.17Å; V71-K98 HydrophobicContact CG2-CG 4.14Å; E96-K98 HydrophobicContact CG-CG 4.5Å; E96-K98 WeakPolarHBondContact OE1-CE 3.47Å; E96-K98 IonicContact OE1-NZ 2.74Å; E96-K98 PolarHBondContact OE1-NZ 3Å |
| 99 | F | 94.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 1% | 0.013 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 120.6 | 175.4 | -54.3 | -88.6 | 0 | 0 | 0 | 108.3 | Y37 I49 I51 L70 V72 R97 L101 | Y37-F99 HydrophobicContact CD1-CE1 4.09Å; Y37-F99 HydrophobicContact CD1-CZ 4.33Å; Y37-F99 AromaticContact CD2-CE1 3.65Å; Y37-F99 HydrophobicContact CD2-CE1 3.65Å; Y37-F99 HydrophobicContact CD2-CZ 4.32Å; Y37-F99 HydrophobicContact CE1-CE1 4.09Å; Y37-F99 HydrophobicContact CE2-CD1 4.34Å; Y37-F99 AromaticContact CE2-CE1 3.64Å; Y37-F99 HydrophobicContact CE2-CE1 3.64Å; Y37-F99 AromaticContact CG-CE1 3.89Å; Y37-F99 HydrophobicContact CG-CE1 3.89Å; Y37-F99 HydrophobicContact CG-CZ 4.15Å; Y37-F99 AromaticContact CZ-CE1 3.87Å; I49-F99 HydrophobicContact CD1-CB 4.2Å; I49-F99 HydrophobicContact CD1-CD1 3.91Å; I49-F99 HydrophobicContact CD1-CD2 4.28Å; I49-F99 HydrophobicContact CD1-CE1 4.34Å; I49-F99 HydrophobicContact CD1-CG 3.87Å; I49-F99 HydrophobicContact CG2-CE1 3.99Å; I49-F99 HydrophobicContact CG2-CE2 4.45Å; I49-F99 HydrophobicContact CG2-CZ 3.92Å; I51-F99 HydrophobicContact CD1-CE2 3.65Å; I51-F99 HydrophobicContact CD1-CZ 3.71Å; I51-F99 HydrophobicContact CG1-CZ 4.23Å; L70-F99 HydrophobicContact CB-CB 4.21Å; L70-F99 HydrophobicContact CD2-CB 4.39Å; L70-F99 HydrophobicContact CD2-CD2 4.1Å; L70-F99 HydrophobicContact CG-CD2 4.21Å; L70-F99 PolarHBondContact N-O 3.34Å; L70-F99 PolarHBondContact O-N 3.03Å; V72-F99 HydrophobicContact CG2-CD2 4.46Å; V72-F99 HydrophobicContact CG2-CE2 4.08Å; R97-F99 HydrophobicContact CB-CE2 3.86Å; R97-F99 HydrophobicContact CB-CZ 4.16Å; F99-L101 HydrophobicContact CB-CD2 4.49Å; F99-L101 PolarHBondContact O-N 3.18Å |
| 100 | Q | 91.9 | Very high | 92 | Very high | 88 Ų | 88 | 60.3 Ų | 60.3 | 41% | 0.411 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 117 | 172 | -170.5 | 65 | 49.3 | 0 | 0 | 108.6 | F16 N68 | F16-Q100 WeakPolarHBondContact CE2-O 3.47Å; N68-Q100 PolarHBondContact O-NE2 3.35Å |
| 101 | L | 91.8 | Very high | 92.4 | Very high | 12 Ų | 12 | 62.7 Ų | 62.7 | 6% | 0.063 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -89.9 | 155.3 | 174.5 | -52.8 | -174.1 | 0 | 0 | 0 | 110.1 | N68 L70 F99 V107 L121 | N68-L101 WeakPolarHBondContact CB-O 3.48Å; N68-L101 WeakPolarHBondContact O-CA 3.38Å; N68-L101 WeakPolarHBondContact O-CB 3.44Å; N68-L101 PolarHBondContact O-N 3.26Å; L70-L101 HydrophobicContact CB-CD1 3.95Å; L70-L101 HydrophobicContact CB-CD2 4.25Å; L70-L101 HydrophobicContact CB-CG 4.04Å; F99-L101 HydrophobicContact CB-CD2 4.49Å; F99-L101 PolarHBondContact O-N 3.18Å; L101-V107 HydrophobicContact CD1-CG2 4.28Å; L101-L121 HydrophobicContact CD1-CD2 4.46Å; L101-L121 HydrophobicContact CD2-CD1 3.96Å |
| 102 | A | 89.2 | Confident | 93 | Very high | 27 Ų | 27 | 63.1 Ų | 63.1 | 22% | 0.223 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 158.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | N68 N104 I105 | N68-A102 PolarHBondContact ND2-O 3.37Å; N68-A102 VanDerWaalsContact ND2-O 3.14Å; A102-N104 WeakPolarHBondContact CB-OD1 3.42Å; A102-N104 PolarHBondContact O-N 2.89Å; A102-N104 VanDerWaalsContact O-N 3.12Å; A102-I105 HydrophobicContact CB-CB 4.46Å; A102-I105 HydrophobicContact CB-CD1 3.88Å; A102-I105 HydrophobicContact CB-CG1 4.05Å; A102-I105 PolarHBondContact O-N 2.85Å |
| 103 | E | 88.3 | Confident | 93.7 | Very high | 149 Ų | 149 | 63.5 Ų | 63.5 | 70% | 0.696 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -34.5 | 179.5 | -71.7 | -177.5 | -176.8 | 0 | 0 | 113.8 | N68 | N68-E103 WeakPolarHBondContact ND2-CA 3.28Š|
| 104 | N | 89.4 | Confident | 94 | Very high | 53 Ų | 53 | 62.1 Ų | 62.1 | 28% | 0.283 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 2.8 | -177.7 | 64 | -18.2 | 0 | 0 | 0 | 114 | A102 H106 R123 A124 | A102-N104 WeakPolarHBondContact CB-OD1 3.42Å; A102-N104 PolarHBondContact O-N 2.89Å; A102-N104 VanDerWaalsContact O-N 3.12Å; N104-H106 PolarHBondContact O-ND1 2.78Å; N104-R123 HydrophobicContact CB-CG 4.39Å; N104-R123 WeakPolarHBondContact ND2-CD 3.39Å; N104-R123 VanDerWaalsContact ND2-CG 3.34Å; N104-R123 WeakPolarHBondContact ND2-CG 3.43Å; N104-R123 CarbonylContact O-C 3.17Å; N104-R123 VanDerWaalsContact O-CA 3.32Å; N104-R123 WeakPolarHBondContact O-CA 3.03Å; N104-A124 PolarHBondContact O-N 2.88Å |
| 105 | I | 91.9 | Very high | 94.1 | Very high | 9 Ų | 9 | 59.3 Ų | 59.3 | 5% | 0.046 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 128.5 | 179.8 | -64.8 | 176.6 | 0 | 0 | 0 | 109.4 | Y47 A102 L121 E122 R123 | Y47-I105 HydrophobicContact CE2-CD1 4.25Å; A102-I105 HydrophobicContact CB-CB 4.46Å; A102-I105 HydrophobicContact CB-CD1 3.88Å; A102-I105 HydrophobicContact CB-CG1 4.05Å; A102-I105 PolarHBondContact O-N 2.85Å; I105-L121 HydrophobicContact CG2-CB 3.81Å; I105-L121 HydrophobicContact CG2-CD1 4.17Å; I105-L121 HydrophobicContact CG2-CG 4.46Å; I105-E122 WeakPolarHBondContact CA-O 2.98Å; I105-R123 HydrophobicContact CG1-CB 4.21Å; I105-R123 HydrophobicContact CG1-CG 4.35Å |
| 106 | H | 92.6 | Very high | 94.2 | Very high | 103 Ų | 103 | 59.3 Ų | 59.3 | 48% | 0.477 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 151.1 | -178 | -56 | 83.9 | 0 | 0 | 0 | 110.9 | N104 L121 E122 | N104-H106 PolarHBondContact O-ND1 2.78Å; H106-L121 CarbonylContact O-C 3.44Å; H106-L121 VanDerWaalsContact O-CA 3.29Å; H106-L121 WeakPolarHBondContact O-CA 3.48Å; H106-E122 PolarHBondContact N-O 2.95Å; H106-E122 PolarHBondContact O-N 2.82Å |
| 107 | V | 95.5 | Very high | 94.4 | Very high | 52 Ų | 52 | 55.6 Ų | 55.6 | 32% | 0.315 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 124.3 | 173.5 | -178.1 | 0 | 0 | 0 | 0 | 109 | A65 L70 L101 I119 L121 | A65-V107 HydrophobicContact CB-CG2 3.97Å; L70-V107 HydrophobicContact CD1-CG2 4.03Å; L101-V107 HydrophobicContact CD1-CG2 4.28Å; V107-I119 HydrophobicContact CG1-CG2 3.85Å; V107-I119 HydrophobicContact CG2-CG2 4.42Å; V107-L121 HydrophobicContact CB-CD2 4.31Å; V107-L121 HydrophobicContact CG2-CD2 3.74Å |
| 108 | R | 96.2 | Very high | 94.6 | Very high | 170 Ų | 170 | 55.5 Ų | 55.5 | 64% | 0.642 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -36.8 | 176.9 | -176.9 | -179.2 | 173.6 | -153.9 | -1.1 | 111.9 | D120 | R108-D120 HydrophobicContact CB-CB 4.37Å; R108-D120 PolarHBondContact N-O 3.03Å |
| 109 | G | 97 | Very high | 94.7 | Very high | 31 Ų | 31 | 50 Ų | 50 | 32% | 0.32 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.7 | 171.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D120 | G109-D120 PolarHBondContact O-N 2.98Å |
| 110 | A | 98.2 | Very high | 94.9 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 44% | 0.438 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 149.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | I63 L117 Y118 I119 | I63-A110 HydrophobicContact CD1-CB 3.57Å; A110-L117 HydrophobicContact CB-CD1 4.35Å; A110-Y118 CarbonylContact C-O 3.49Å; A110-Y118 WeakPolarHBondContact CA-O 3.09Å; A110-Y118 WeakPolarHBondContact CB-O 3.25Å; A110-I119 HydrophobicContact CB-CG1 4.2Å |
| 111 | N | 97.6 | Very high | 95.2 | Very high | 64 Ų | 64 | 47.7 Ų | 47.7 | 34% | 0.342 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 138.9 | 176.5 | 64 | -69.5 | 0 | 0 | 0 | 111 | V113 Y118 | N111-V113 WeakPolarHBondContact ND2-CG2 3.49Å; N111-Y118 PolarHBondContact N-O 2.94Å; N111-Y118 PolarHBondContact O-N 2.88Å; N111-Y118 WeakPolarHBondContact OD1-CB 3.4Å |
| 112 | L | 97.7 | Very high | 95.3 | Very high | 45 Ų | 45 | 51.1 Ų | 51.1 | 24% | 0.236 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 122.6 | 177.2 | -178.8 | 65.6 | 0 | 0 | 0 | 110 | V53 E58 L61 L117 | V53-L112 HydrophobicContact CG2-CD1 3.56Å; E58-L112 HydrophobicContact CB-CD2 4.18Å; L61-L112 HydrophobicContact CD1-CD1 4.15Å; L61-L112 HydrophobicContact CD1-CD2 4.05Å; L112-L117 HydrophobicContact CD1-CB 4.24Å |
| 113 | V | 95.7 | Very high | 95.4 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 38% | 0.382 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 123.2 | 179.7 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | N111 G115 L116 Y118 | N111-V113 WeakPolarHBondContact ND2-CG2 3.49Å; V113-G115 VanDerWaalsContact C-N 3.26Å; V113-G115 PolarHBondContact O-N 3.33Å; V113-L116 PolarHBondContact N-O 2.99Å; V113-L116 WeakPolarHBondContact O-CB 3.39Å; V113-L116 PolarHBondContact O-N 3.01Å; V113-Y118 HydrophobicContact CB-CE2 4.15Å |
| 114 | N | 95.1 | Very high | 95.2 | Very high | 63 Ų | 63 | 47.1 Ų | 47.1 | 34% | 0.337 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 40.2 | 175.9 | -56.9 | -29.4 | 0 | 0 | 0 | 114.1 | L116 A209 G210 F211 | N114-L116 PolarHBondContact O-N 3.18Å; N114-A209 WeakPolarHBondContact O-CA 3.37Å; N114-G210 PolarHBondContact O-N 2.88Å; N114-F211 WeakPolarHBondContact CB-O 3.37Å |
| 115 | G | 95.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 5.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V53 A54 V113 N269 | V53-G115 CarbonylContact C-O 3.54Å; V53-G115 PolarHBondContact N-O 2.9Å; A54-G115 PolarHBondContact N-O 2.87Å; V113-G115 VanDerWaalsContact C-N 3.26Å; V113-G115 PolarHBondContact O-N 3.33Å; G115-N269 WeakPolarHBondContact CA-O 3.28Å |
| 116 | L | 97 | Very high | 92.6 | Very high | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 121.8 | 167.1 | -70.8 | 176.4 | 0 | 0 | 0 | 110.3 | I51 A52 V113 N114 Y118 A209 L245 | I51-L116 WeakPolarHBondContact O-CA 3.32Å; A52-L116 HydrophobicContact CB-CD2 4.18Å; V113-L116 PolarHBondContact N-O 2.99Å; V113-L116 WeakPolarHBondContact O-CB 3.39Å; V113-L116 PolarHBondContact O-N 3.01Å; N114-L116 PolarHBondContact O-N 3.18Å; L116-Y118 HydrophobicContact CB-CD2 4.42Å; L116-Y118 HydrophobicContact CB-CE1 4.49Å; L116-Y118 HydrophobicContact CB-CE2 3.8Å; L116-Y118 HydrophobicContact CD1-CE1 4.44Å; L116-Y118 WeakPolarHBondContact CD1-OH 3.21Å; L116-A209 HydrophobicContact CD2-CB 3.97Å; L116-A209 HydrophobicContact CG-CB 4.25Å; L116-L245 HydrophobicContact CD2-CD1 3.67Å; L116-L245 HydrophobicContact CD2-CD2 4.47Å |
| 117 | L | 98.3 | Very high | 90.6 | Very high | 6 Ų | 6 | 63.2 Ų | 63.2 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 115.6 | 167.2 | 176 | 64 | 0 | 0 | 0 | 108.7 | A50 I51 V53 I63 V72 A110 L112 I119 | A50-L117 CarbonylContact C-O 3.59Å; A50-L117 WeakPolarHBondContact CA-O 3.33Å; I51-L117 HydrophobicContact CB-CB 4.43Å; I51-L117 HydrophobicContact CD1-CD2 4.49Å; I51-L117 PolarHBondContact N-O 2.79Å; I51-L117 PolarHBondContact O-N 2.8Å; V53-L117 HydrophobicContact CG1-CB 4.47Å; V53-L117 HydrophobicContact CG2-CB 3.74Å; I63-L117 HydrophobicContact CD1-CD1 3.97Å; I63-L117 HydrophobicContact CD1-CD2 3.85Å; I63-L117 HydrophobicContact CD1-CG 4.39Å; I63-L117 HydrophobicContact CG1-CD2 4.28Å; V72-L117 HydrophobicContact CG1-CD2 3.65Å; A110-L117 HydrophobicContact CB-CD1 4.35Å; L112-L117 HydrophobicContact CD1-CB 4.24Å; L117-I119 HydrophobicContact CD2-CD1 4.21Å; L117-I119 HydrophobicContact CD2-CG1 4.39Å; L117-I119 HydrophobicContact CG-CD1 4.5Å; L117-I119 HydrophobicContact CG-CG1 4.16Å |
| 118 | Y | 98.3 | Very high | 88.3 | Confident | 49 Ų | 49 | 63.6 Ų | 63.6 | 19% | 0.192 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 133.6 | 171.9 | -61.9 | -76.1 | 0 | 0 | 0 | 109.7 | R48 I49 A50 A110 N111 V113 L116 | R48-Y118 HydrophobicContact CG-CD1 4.04Å; I49-Y118 CarbonylContact O-C 3.6Å; I49-Y118 WeakPolarHBondContact O-CA 3.3Å; A50-Y118 HydrophobicContact CB-CD1 3.74Å; A50-Y118 HydrophobicContact CB-CE1 3.71Å; A110-Y118 CarbonylContact C-O 3.49Å; A110-Y118 WeakPolarHBondContact CA-O 3.09Å; A110-Y118 WeakPolarHBondContact CB-O 3.25Å; N111-Y118 PolarHBondContact N-O 2.94Å; N111-Y118 PolarHBondContact O-N 2.88Å; N111-Y118 WeakPolarHBondContact OD1-CB 3.4Å; V113-Y118 HydrophobicContact CB-CE2 4.15Å; L116-Y118 HydrophobicContact CB-CD2 4.42Å; L116-Y118 HydrophobicContact CB-CE1 4.49Å; L116-Y118 HydrophobicContact CB-CE2 3.8Å; L116-Y118 HydrophobicContact CD1-CE1 4.44Å; L116-Y118 WeakPolarHBondContact CD1-OH 3.21Å |
| 119 | I | 98.4 | Very high | 86 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 113.6 | 173.5 | -54.8 | 176.9 | 0 | 0 | 0 | 107.3 | R48 I49 I51 I63 L70 V72 V107 A110 L117 L121 | R48-I119 WeakPolarHBondContact CA-O 3.39Å; I49-I119 HydrophobicContact CB-CB 4.38Å; I49-I119 PolarHBondContact N-O 2.96Å; I49-I119 PolarHBondContact O-N 3.34Å; I51-I119 HydrophobicContact CD1-CD1 4.26Å; I63-I119 HydrophobicContact CD1-CD1 4.26Å; I63-I119 HydrophobicContact CD1-CG1 4.39Å; I63-I119 HydrophobicContact CG2-CD1 4.3Å; L70-I119 HydrophobicContact CD2-CD1 4.01Å; L70-I119 HydrophobicContact CD2-CG2 4.06Å; V72-I119 HydrophobicContact CG2-CD1 3.56Å; V107-I119 HydrophobicContact CG1-CG2 3.85Å; V107-I119 HydrophobicContact CG2-CG2 4.42Å; A110-I119 HydrophobicContact CB-CG1 4.2Å; L117-I119 HydrophobicContact CD2-CD1 4.21Å; L117-I119 HydrophobicContact CD2-CG1 4.39Å; L117-I119 HydrophobicContact CG-CD1 4.5Å; L117-I119 HydrophobicContact CG-CG1 4.16Å; I119-L121 HydrophobicContact CG2-CD2 3.93Å |
| 120 | D | 98 | Very high | 83.1 | Confident | 32 Ų | 32 | 66 Ų | 66 | 17% | 0.171 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 128.7 | 178.9 | -74 | -25.7 | 0 | 0 | 0 | 109.8 | R48 R108 G109 | R48-D120 IonicContact CZ-OD1 3.39Å; R48-D120 IonicContact NE-OD1 2.98Å; R48-D120 PolarHBondContact NE-OD1 3.14Å; R48-D120 IonicContact NH2-OD1 2.84Å; R48-D120 PolarHBondContact NH2-OD1 3.01Å; R48-D120 IonicContact NH2-OD2 3.06Å; R48-D120 PolarHBondContact NH2-OD2 3.12Å; R108-D120 HydrophobicContact CB-CB 4.37Å; R108-D120 PolarHBondContact N-O 3.03Å; G109-D120 PolarHBondContact O-N 2.98Å |
| 121 | L | 96.7 | Very high | 80.1 | Confident | 9 Ų | 9 | 67 Ų | 67 | 5% | 0.047 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 142.3 | 179.8 | -49.3 | 174.9 | 0 | 0 | 0 | 109.8 | H46 Y47 I49 L70 L101 I105 H106 V107 I119 | H46-L121 WeakPolarHBondContact CA-O 3.34Å; Y47-L121 PolarHBondContact N-O 3Å; Y47-L121 PolarHBondContact O-N 3.18Å; I49-L121 HydrophobicContact CD1-CD1 3.86Å; I49-L121 HydrophobicContact CG1-CD1 3.98Å; L70-L121 HydrophobicContact CD2-CD2 4.47Å; L101-L121 HydrophobicContact CD1-CD2 4.46Å; L101-L121 HydrophobicContact CD2-CD1 3.96Å; I105-L121 HydrophobicContact CG2-CB 3.81Å; I105-L121 HydrophobicContact CG2-CD1 4.17Å; I105-L121 HydrophobicContact CG2-CG 4.46Å; H106-L121 CarbonylContact O-C 3.44Å; H106-L121 VanDerWaalsContact O-CA 3.29Å; H106-L121 WeakPolarHBondContact O-CA 3.48Å; V107-L121 HydrophobicContact CB-CD2 4.31Å; V107-L121 HydrophobicContact CG2-CD2 3.74Å; I119-L121 HydrophobicContact CG2-CD2 3.93Å |
| 122 | E | 94.8 | Very high | 77.3 | Confident | 85 Ų | 85 | 69.5 Ų | 69.5 | 40% | 0.397 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 134.5 | 177.8 | -174.9 | 179.1 | 175.3 | 0 | 0 | 110.1 | I105 H106 | I105-E122 WeakPolarHBondContact CA-O 2.98Å; H106-E122 PolarHBondContact N-O 2.95Å; H106-E122 PolarHBondContact O-N 2.82Å |
| 123 | R | 91.9 | Very high | 74.1 | Confident | 48 Ų | 48 | 73.3 Ų | 73.3 | 18% | 0.181 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 111.9 | 172.3 | -176.1 | 175.3 | 62.2 | -149.1 | 3 | 110.1 | E44 N45 Y47 N104 I105 A125 | E44-R123 VanDerWaalsContact C-NH2 3.34Å; E44-R123 PolarHBondContact O-NH1 3.29Å; E44-R123 PolarHBondContact O-NH2 3.27Å; N45-R123 PolarHBondContact O-N 2.8Å; N45-R123 PolarHBondContact OD1-NE 3.5Å; N45-R123 PolarHBondContact OD1-NH2 2.82Å; Y47-R123 HydrophobicContact CE2-CB 4.06Å; Y47-R123 PolarHBondContact OH-NH1 3.22Å; N104-R123 HydrophobicContact CB-CG 4.39Å; N104-R123 WeakPolarHBondContact ND2-CD 3.39Å; N104-R123 VanDerWaalsContact ND2-CG 3.34Å; N104-R123 WeakPolarHBondContact ND2-CG 3.43Å; N104-R123 CarbonylContact O-C 3.17Å; N104-R123 VanDerWaalsContact O-CA 3.32Å; N104-R123 WeakPolarHBondContact O-CA 3.03Å; I105-R123 HydrophobicContact CG1-CB 4.21Å; I105-R123 HydrophobicContact CG1-CG 4.35Å; R123-A125 PolarHBondContact O-N 2.93Å |
| 124 | A | 84.2 | Confident | 71.2 | Confident | 43 Ų | 43 | 75.1 Ų | 75.1 | 36% | 0.355 | 43% | 0.428 | S | S | . | . | trans | -67.8 | 129.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | N104 W126 | N104-A124 PolarHBondContact O-N 2.88Å; A124-W126 PolarHBondContact O-N 3.22Å | ||
| 125 | A | 72.7 | Confident | 68.9 | Low | 93 Ų | 93 | 78.4 Ų | 78.4 | 77% | 0.769 | 45% | 0.452 | S | S | * | . | trans | -70.4 | 111.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | R123 R127 | R123-A125 PolarHBondContact O-N 2.93Å; A125-R127 PolarHBondContact O-N 2.89Å | ||
| 126 | W | 53.6 | Low | 66.1 | Low | 176 Ų | 176 | 83.5 Ų | 83.5 | 67% | 0.667 | 49% | 0.487 | S | S | * | . | trans | -68.7 | 100.7 | 168.2 | -163.5 | 1.8 | 0 | 0 | 0 | 107.6 | A124 G128 L129 | A124-W126 PolarHBondContact O-N 3.22Å; W126-G128 PolarHBondContact O-N 3.3Å; W126-L129 HydrophobicContact CZ2-CB 4.09Å; W126-L129 HydrophobicContact CZ2-CD1 3.56Å; W126-L129 HydrophobicContact CZ2-CG 4.31Å | ||
| 127 | R | 49.5 | Very low | 63.4 | Low | 235 Ų | 235 | 87 Ų | 87 | 89% | 0.887 | 53% | 0.527 | S | S | * | . | trans | -56.8 | 111.7 | 163.6 | -82.3 | 179.9 | 129 | 128 | -2.3 | 106 | A125 L129 | A125-R127 PolarHBondContact O-N 2.89Å; R127-L129 PolarHBondContact O-N 3.33Å | ||
| 128 | G | 47.1 | Very low | 60.5 | Low | 60 Ų | 60 | 91.7 Ų | 91.7 | 62% | 0.619 | 56% | 0.559 | S | S | * | * | trans | -41.6 | 113.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W126 T130 | W126-G128 PolarHBondContact O-N 3.3Å; G128-T130 PolarHBondContact O-N 2.78Å | ||
| 129 | L | 48.1 | Very low | 57.3 | Low | 119 Ų | 119 | 97 Ų | 97 | 62% | 0.623 | 59% | 0.589 | S | S | * | * | trans | -65.6 | 78.8 | 151.3 | -87.8 | 166.4 | 0 | 0 | 0 | 106.3 | W126 R127 S131 | W126-L129 HydrophobicContact CZ2-CB 4.09Å; W126-L129 HydrophobicContact CZ2-CD1 3.56Å; W126-L129 HydrophobicContact CZ2-CG 4.31Å; R127-L129 PolarHBondContact O-N 3.33Å; L129-S131 PolarHBondContact O-N 2.83Å | ||
| 130 | T | 36.3 | Very low | 53.9 | Low | 131 Ų | 131 | 102.9 Ų | 102.9 | 80% | 0.804 | 63% | 0.629 | S | S | * | * | trans | -72.2 | 71.4 | 155.3 | 58.9 | 0 | 0 | 0 | 0 | 106.4 | G128 P132 | G128-T130 PolarHBondContact O-N 2.78Å; T130-P132 WeakPolarHBondContact O-CD 3.27Å | ||
| 131 | S | 35.5 | Very low | 50.7 | Low | 75 Ų | 75 | 110 Ų | 110 | 52% | 0.524 | 66% | 0.662 | S | S | . | * | trans | -93.2 | 106.8 | 155.4 | 39.6 | 0 | 0 | 0 | 0 | 105.2 | L129 C133 | L129-S131 PolarHBondContact O-N 2.83Å; S131-C133 PolarHBondContact O-N 3.25Å | ||
| 132 | P | 39.7 | Very low | 47.7 | Very low | 117 Ų | 117 | 115 Ų | 115 | 76% | 0.76 | 70% | 0.697 | S | S | * | * | trans | -60.6 | 112.4 | 174.7 | -12.5 | 26.1 | 0 | 0 | 0 | 107.1 | T130 S134 | T130-P132 WeakPolarHBondContact O-CD 3.27Å; P132-S134 VanDerWaalsContact C-N 3.31Å; P132-S134 PolarHBondContact O-N 2.77Å | ||
| 133 | C | 28.8 | Very low | 44.8 | Very low | 125 Ų | 125 | 116.3 Ų | 116.3 | 85% | 0.845 | 72% | 0.716 | S | S | * | * | trans | -62.6 | 101.4 | 163.4 | -72.6 | 0 | 0 | 0 | 0 | 106.8 | S131 | S131-C133 PolarHBondContact O-N 3.25Š| ||
| 134 | S | 35.3 | Very low | 41.8 | Very low | 101 Ų | 101 | 120.7 Ų | 120.7 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | -59 | 130.6 | 164.5 | -72.7 | 0 | 0 | 0 | 0 | 108.2 | P132 S136 | P132-S134 VanDerWaalsContact C-N 3.31Å; P132-S134 PolarHBondContact O-N 2.77Å; S134-S136 PolarHBondContact O-N 2.68Å | ||
| 135 | P | 46.7 | Very low | 39.3 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | trans | -76.9 | 95.9 | -178.7 | 30.9 | -31.3 | 0 | 0 | 0 | 108.4 | ||||
| 136 | S | 38 | Very low | 37.2 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -113 | 101.6 | 158.7 | 58.9 | 0 | 0 | 0 | 0 | 107.2 | S134 S138 | S134-S136 PolarHBondContact O-N 2.68Å; S136-S138 PolarHBondContact O-N 2.67Å | ||
| 137 | G | 39 | Very low | 36.1 | Very low | 85 Ų | 85 | 127.3 Ų | 127.3 | 88% | 0.876 | 77% | 0.77 | S | S | * | * | trans | -57.7 | 134.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 138 | S | 37.4 | Very low | 35.1 | Very low | 103 Ų | 103 | 124.1 Ų | 124.1 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -141.7 | 118.4 | 151.8 | 54.9 | 0 | 0 | 0 | 0 | 106.8 | S136 C140 | S136-S138 PolarHBondContact O-N 2.67Å; S138-C140 PolarHBondContact O-N 3.05Å | ||
| 139 | I | 31.2 | Very low | 34.3 | Very low | 160 Ų | 160 | 126.8 Ų | 126.8 | 82% | 0.821 | 77% | 0.774 | S | S | * | * | trans | -59.4 | 117.9 | 178.7 | -63.7 | 154 | 0 | 0 | 0 | 107.8 | E141 | I139-E141 HydrophobicContact CG2-CG 4.31Š| ||
| 140 | C | 27.5 | Very low | 33.3 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -94.8 | 100.1 | 166.6 | -75.2 | 0 | 0 | 0 | 0 | 107.7 | S138 S142 | S138-C140 PolarHBondContact O-N 3.05Å; C140-S142 PolarHBondContact O-N 2.86Å | ||
| 141 | E | 31.9 | Very low | 32.9 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | -63.3 | 123.5 | 169.4 | -80.5 | 175.1 | 141.7 | 0 | 0 | 110 | I139 | I139-E141 HydrophobicContact CG2-CG 4.31Š| ||
| 142 | S | 32.2 | Very low | 32.8 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -86.7 | 113.1 | 168.9 | 55.6 | 0 | 0 | 0 | 0 | 109.1 | C140 | C140-S142 PolarHBondContact O-N 2.86Š| ||
| 143 | S | 33.7 | Very low | 32.2 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -97.3 | 122.1 | 171.9 | 32.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 144 | D | 30.6 | Very low | 32.3 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | trans | -56.4 | 124.2 | 178.5 | -68.9 | -49.8 | 0 | 0 | 0 | 113 | ||||
| 145 | L | 30.7 | Very low | 32.1 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | -107.4 | 87.4 | 163.9 | -85.8 | 166.1 | 0 | 0 | 0 | 109.2 | ||||
| 146 | Q | 29 | Very low | 31.3 | Very low | 172 Ų | 172 | 147.6 Ų | 147.6 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -87.1 | 106 | 163.9 | -68.6 | 179.6 | 62.3 | 0 | 0 | 108.4 | ||||
| 147 | V | 30.5 | Very low | 31 | Very low | 115 Ų | 115 | 148.6 Ų | 148.6 | 70% | 0.697 | 82% | 0.82 | S | S | * | * | trans | -110.2 | 108.7 | 169.7 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | T149 | V147-T149 PolarHBondContact O-N 2.82Š| ||
| 148 | L | 27.5 | Very low | 30.6 | Very low | 169 Ų | 169 | 153.1 Ų | 153.1 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | trans | -75.6 | 106 | 172.7 | -90.4 | 152.2 | 0 | 0 | 0 | 109.6 | ||||
| 149 | T | 30.1 | Very low | 30.5 | Very low | 115 Ų | 115 | 158.6 Ų | 158.6 | 71% | 0.706 | 83% | 0.825 | S | S | * | * | trans | -89 | 113.7 | 169.2 | -54.6 | 0 | 0 | 0 | 0 | 109.3 | V147 | V147-T149 PolarHBondContact O-N 2.82Š| ||
| 150 | R | 28 | Very low | 30.7 | Very low | 240 Ų | 240 | 158.7 Ų | 158.7 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | trans | -87.3 | 112.1 | -179.5 | -151.3 | 173.5 | 179.2 | -178.2 | -1.5 | 108.2 | ||||
| 151 | F | 28.3 | Very low | 31.2 | Very low | 191 Ų | 191 | 161.8 Ų | 161.8 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 130.5 | 176.1 | -94.9 | -98.3 | 0 | 0 | 0 | 110.5 | ||
| 152 | L | 32.1 | Very low | 31.5 | Very low | 169 Ų | 169 | 159.1 Ų | 159.1 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 119.3 | 165.1 | -76.1 | 172.6 | 0 | 0 | 0 | 108 | ||
| 153 | E | 27.2 | Very low | 32.2 | Very low | 198 Ų | 198 | 160.7 Ų | 160.7 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 124.4 | 171 | -68.9 | 169.7 | 160.2 | 0 | 0 | 109.2 | ||
| 154 | G | 32.4 | Very low | 32.8 | Very low | 70 Ų | 70 | 158.6 Ų | 158.6 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | -137.2 | 94.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | M156 | G154-M156 PolarHBondContact O-N 3.05Š| ||
| 155 | E | 29.2 | Very low | 33.3 | Very low | 192 Ų | 192 | 157.5 Ų | 157.5 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -63.1 | 116.5 | 173.6 | -71.5 | 177.5 | 137.9 | 0 | 0 | 110.4 | ||||
| 156 | M | 31.7 | Very low | 34.2 | Very low | 177 Ų | 177 | 157.2 Ų | 157.2 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -112.6 | 104.8 | 166.6 | -80.1 | -78.7 | -78.3 | 0 | 0 | 108.4 | G154 M158 | G154-M156 PolarHBondContact O-N 3.05Å; M156-M158 PolarHBondContact O-N 3.44Å | ||
| 157 | T | 31.6 | Very low | 35.1 | Very low | 129 Ų | 129 | 156.9 Ų | 156.9 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -77.7 | 102.5 | 176.2 | 46.9 | 0 | 0 | 0 | 0 | 109.5 | R159 | T157-R159 PolarHBondContact O-N 2.72Š| ||
| 158 | M | 30.5 | Very low | 36 | Very low | 180 Ų | 180 | 162.9 Ų | 162.9 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 120.4 | 171.1 | -82.7 | -165.6 | -84.7 | 0 | 0 | 110.1 | M156 N160 | M156-M158 PolarHBondContact O-N 3.44Å; M158-N160 PolarHBondContact O-N 3.15Å |
| 159 | R | 34.4 | Very low | 36.9 | Very low | 218 Ų | 218 | 163.1 Ų | 163.1 | 82% | 0.823 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 118.5 | 176.7 | -67.8 | 177.2 | 176.2 | 173.7 | -1.9 | 109.4 | T157 F161 | T157-R159 PolarHBondContact O-N 2.72Å; R159-F161 PolarHBondContact O-N 3.12Å |
| 160 | N | 34.7 | Very low | 37.4 | Very low | 161 Ų | 161 | 164.7 Ų | 164.7 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 118.9 | 168.6 | -79.3 | -15.7 | 0 | 0 | 0 | 109.8 | M158 | M158-N160 PolarHBondContact O-N 3.15Š|
| 161 | F | 38.6 | Very low | 38.6 | Very low | 189 Ų | 189 | 158.3 Ų | 158.3 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 116.6 | 164.3 | -74.9 | -83.3 | 0 | 0 | 0 | 108.6 | R159 | R159-F161 PolarHBondContact O-N 3.12Š|
| 162 | D | 39 | Very low | 39.7 | Very low | 127 Ų | 127 | 151 Ų | 151 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | trans | -86.8 | 106.5 | 179.5 | -176.7 | 4.1 | 0 | 0 | 0 | 110 | S164 | D162-S164 VanDerWaalsContact C-N 3.33Å; D162-S164 WeakPolarHBondContact OD1-CB 3.42Å; D162-S164 PolarHBondContact OD1-N 3.42Å; D162-S164 VanDerWaalsContact OD1-N 3.08Å; D162-S164 PolarHBondContact OD1-OG 2.65Å; D162-S164 PolarHBondContact OD2-OG 3.24Å | ||
| 163 | L | 46 | Very low | 40.7 | Very low | 146 Ų | 146 | 151 Ų | 151 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | trans | -96 | 27.2 | 177.2 | -64.4 | 177.8 | 0 | 0 | 0 | 112.7 | P165 | L163-P165 WeakPolarHBondContact O-CD 3.35Š| ||
| 164 | S | 46.3 | Very low | 41.9 | Very low | 70 Ų | 70 | 147.2 Ų | 147.2 | 49% | 0.49 | 74% | 0.743 | S | S | . | * | G | 310 helix | trans | -60 | -16.4 | -178.7 | 50.1 | 0 | 0 | 0 | 0 | 118.5 | D162 L166 | D162-S164 VanDerWaalsContact C-N 3.33Å; D162-S164 WeakPolarHBondContact OD1-CB 3.42Å; D162-S164 PolarHBondContact OD1-N 3.42Å; D162-S164 VanDerWaalsContact OD1-N 3.08Å; D162-S164 PolarHBondContact OD1-OG 2.65Å; D162-S164 PolarHBondContact OD2-OG 3.24Å; S164-L166 PolarHBondContact O-N 2.81Å |
| 165 | P | 40.9 | Very low | 42.9 | Very low | 116 Ų | 116 | 148.6 Ų | 148.6 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -79.1 | -16.2 | -176 | -18.6 | 32.5 | 0 | 0 | 0 | 117 | L163 | L163-P165 WeakPolarHBondContact O-CD 3.35Š|
| 166 | L | 50.3 | Low | 43.9 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 83% | 0.827 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -107.6 | 2.4 | -171.2 | -122.1 | 144.7 | 0 | 0 | 0 | 115.2 | S164 | S164-L166 PolarHBondContact O-N 2.81Š|
| 167 | M | 47.9 | Very low | 44.7 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | trans | -101.8 | 32.9 | -175.8 | -80.2 | -134.8 | -72.5 | 0 | 0 | 115.3 | ||||
| 168 | R | 48.5 | Very low | 45.6 | Very low | 241 Ų | 241 | 137.5 Ų | 137.5 | 91% | 0.909 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -96.6 | 2.5 | 177.9 | -72.2 | -167.4 | -179.1 | -152 | 1.1 | 116 | ||
| 169 | Q | 46.3 | Very low | 46.6 | Very low | 174 Ų | 174 | 131.8 Ų | 131.8 | 81% | 0.813 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -136.1 | 30 | -175.1 | -149.1 | 173.8 | -3.7 | 0 | 0 | 115.9 | ||
| 170 | W | 41.9 | Very low | 47 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 56% | 0.557 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -137.5 | 115.8 | 174.8 | -64.9 | 90.4 | 0 | 0 | 0 | 111.9 | Y202 | W170-Y202 WeakPolarHBondContact CZ3-OH 3.26Š|
| 171 | I | 53.1 | Low | 47.7 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 55% | 0.549 | 65% | 0.654 | S | S | . | * | S | Bend | trans | 26.6 | 110.3 | 153.6 | -53.6 | 171.2 | 0 | 0 | 0 | 116.1 | M260 | I171-M260 HydrophobicContact CD1-CE 4.23Å; I171-M260 HydrophobicContact CD1-SD 4.36Å |
| 172 | G | 51.1 | Low | 47.8 | Very low | 37 Ų | 37 | 125.5 Ų | 125.5 | 38% | 0.381 | 65% | 0.648 | S | S | . | * | trans | 124.9 | 26.2 | 150 | 0 | 0 | 0 | 0 | 0 | 118.5 | D174 K175 | G172-D174 PolarHBondContact O-N 2.98Å; G172-D174 VanDerWaalsContact O-N 3.12Å; G172-K175 WeakPolarHBondContact O-CB 3.48Å; G172-K175 PolarHBondContact O-N 3.38Å | ||
| 173 | F | 52.6 | Low | 47.8 | Very low | 170 Ų | 170 | 123.5 Ų | 123.5 | 75% | 0.746 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -60.2 | -20.1 | 170.2 | -150.7 | -93.6 | 0 | 0 | 0 | 112.6 | K175 L176 | F173-K175 VanDerWaalsContact C-N 3.27Å; F173-K175 PolarHBondContact O-N 2.93Å; F173-L176 HydrophobicContact CD2-CD1 3.91Å; F173-L176 HydrophobicContact CE1-CD1 4.37Å; F173-L176 HydrophobicContact CE2-CD1 3.51Å; F173-L176 HydrophobicContact CZ-CD1 3.78Å; F173-L176 WeakPolarHBondContact O-CB 3.43Å; F173-L176 PolarHBondContact O-N 3.38Å |
| 174 | D | 52.6 | Low | 47.2 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 63% | 0.631 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.7 | -23.4 | 170.9 | -61.4 | -31.1 | 0 | 0 | 0 | 113 | G172 L176 A177 N178 | G172-D174 PolarHBondContact O-N 2.98Å; G172-D174 VanDerWaalsContact O-N 3.12Å; D174-L176 PolarHBondContact O-N 3.03Å; D174-A177 PolarHBondContact O-N 2.93Å; D174-N178 PolarHBondContact O-N 3.09Å |
| 175 | K | 52.8 | Low | 47 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 43% | 0.426 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -67.7 | -24.4 | 169.3 | -71.6 | -169.6 | 177.6 | -175.4 | 0 | 111.5 | G172 F173 A177 A179 Y192 | G172-K175 WeakPolarHBondContact O-CB 3.48Å; G172-K175 PolarHBondContact O-N 3.38Å; F173-K175 VanDerWaalsContact C-N 3.27Å; F173-K175 PolarHBondContact O-N 2.93Å; K175-A177 VanDerWaalsContact C-N 3.34Å; K175-A179 WeakPolarHBondContact O-CB 3.31Å; K175-A179 PolarHBondContact O-N 2.85Å; K175-Y192 PolarHBondContact NZ-OH 3.09Å |
| 176 | L | 50.8 | Low | 47.5 | Very low | 91 Ų | 91 | 124.7 Ų | 124.7 | 48% | 0.476 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -67.6 | -37.2 | 173.1 | -120.2 | 159.3 | 0 | 0 | 0 | 110.9 | F173 D174 L180 | F173-L176 HydrophobicContact CD2-CD1 3.91Å; F173-L176 HydrophobicContact CE1-CD1 4.37Å; F173-L176 HydrophobicContact CE2-CD1 3.51Å; F173-L176 HydrophobicContact CZ-CD1 3.78Å; F173-L176 WeakPolarHBondContact O-CB 3.43Å; F173-L176 PolarHBondContact O-N 3.38Å; D174-L176 PolarHBondContact O-N 3.03Å; L176-L180 WeakPolarHBondContact O-CB 3.04Å; L176-L180 PolarHBondContact O-N 3.32Å; L176-L180 VanDerWaalsContact O-N 3.09Å |
| 177 | A | 49.2 | Very low | 47.9 | Very low | 58 Ų | 58 | 125.9 Ų | 125.9 | 48% | 0.479 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -70.6 | -38.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D174 K175 | D174-A177 PolarHBondContact O-N 2.93Å; K175-A177 VanDerWaalsContact C-N 3.34Å |
| 178 | N | 50.9 | Low | 49 | Very low | 116 Ų | 116 | 120.4 Ų | 120.4 | 62% | 0.62 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -84.8 | -28 | 178.1 | -70.3 | -20.4 | 0 | 0 | 0 | 113.3 | D174 N182 | D174-N178 PolarHBondContact O-N 3.09Å; N178-N182 PolarHBondContact O-N 3.02Å |
| 179 | A | 50.7 | Low | 50.7 | Low | 61 Ų | 61 | 111.1 Ų | 111.1 | 50% | 0.504 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -72.3 | -30.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K175 Q181 N182 A183 | K175-A179 WeakPolarHBondContact O-CB 3.31Å; K175-A179 PolarHBondContact O-N 2.85Å; A179-Q181 VanDerWaalsContact C-N 3.28Å; A179-Q181 PolarHBondContact O-N 2.96Å; A179-N182 CarbonylContact O-C 3.5Å; A179-N182 PolarHBondContact O-N 2.71Å; A179-A183 PolarHBondContact O-N 2.99Å; A179-A183 VanDerWaalsContact O-N 3.1Å |
| 180 | L | 43.1 | Very low | 52.9 | Low | 136 Ų | 136 | 102.8 Ų | 102.8 | 71% | 0.712 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.1 | -28.3 | 178 | -145.1 | 80.1 | 0 | 0 | 0 | 112.7 | L176 | L176-L180 WeakPolarHBondContact O-CB 3.04Å; L176-L180 PolarHBondContact O-N 3.32Å; L176-L180 VanDerWaalsContact O-N 3.09Å |
| 181 | Q | 48.9 | Very low | 55.4 | Low | 165 Ų | 165 | 98 Ų | 98 | 77% | 0.771 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -82 | -25.1 | 176.1 | -73 | -170 | 55.2 | 0 | 0 | 113.3 | A179 | A179-Q181 VanDerWaalsContact C-N 3.28Å; A179-Q181 PolarHBondContact O-N 2.96Å |
| 182 | N | 41.7 | Very low | 57.5 | Low | 134 Ų | 134 | 93.9 Ų | 93.9 | 72% | 0.717 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | 35.2 | 179 | -81.9 | -9.7 | 0 | 0 | 0 | 112.6 | N178 A179 G184 | N178-N182 PolarHBondContact O-N 3.02Å; A179-N182 CarbonylContact O-C 3.5Å; A179-N182 PolarHBondContact O-N 2.71Å; N182-G184 PolarHBondContact O-N 2.9Å; N182-G184 VanDerWaalsContact O-O 3.06Å |
| 183 | A | 37.4 | Very low | 59.6 | Low | 86 Ų | 86 | 92.1 Ų | 92.1 | 71% | 0.711 | 51% | 0.512 | S | S | * | . | trans | -69.2 | 36.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | A179 | A179-A183 PolarHBondContact O-N 2.99Å; A179-A183 VanDerWaalsContact O-N 3.1Å | ||
| 184 | G | 35.2 | Very low | 61.7 | Low | 48 Ų | 48 | 85.6 Ų | 85.6 | 50% | 0.495 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -86.2 | 130.7 | 149.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | N182 S186 | N182-G184 PolarHBondContact O-N 2.9Å; N182-G184 VanDerWaalsContact O-O 3.06Å; G184-S186 PolarHBondContact O-N 2.89Å |
| 185 | E | 41.9 | Very low | 63.7 | Low | 206 Ų | 206 | 80.5 Ų | 80.5 | 96% | 0.963 | 46% | 0.457 | S | S | * | . | trans | -61.5 | 42.9 | 179.2 | -62.1 | 172.3 | 140.6 | 0 | 0 | 114 | Q187 | E185-Q187 PolarHBondContact O-N 2.98Š| ||
| 186 | S | 50 | Low | 65.6 | Low | 103 Ų | 103 | 78.1 Ų | 78.1 | 72% | 0.72 | 45% | 0.447 | S | S | * | . | trans | -81.6 | 109.6 | 178 | -51 | 0 | 0 | 0 | 0 | 106.7 | G184 S188 | G184-S186 PolarHBondContact O-N 2.89Å; S186-S188 PolarHBondContact O-N 3.2Å | ||
| 187 | Q | 58.8 | Low | 67.5 | Low | 182 Ų | 182 | 78.1 Ų | 78.1 | 85% | 0.85 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -46.1 | 120.2 | 167.5 | -72 | 175.1 | -11.9 | 0 | 0 | 108.3 | E185 F189 | E185-Q187 PolarHBondContact O-N 2.98Å; Q187-F189 PolarHBondContact O-N 2.79Å; Q187-F189 VanDerWaalsContact O-N 3.12Å |
| 188 | S | 71.5 | Confident | 69.5 | Low | 51 Ų | 51 | 78.9 Ų | 78.9 | 36% | 0.357 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 118 | -176.4 | 61.9 | 0 | 0 | 0 | 0 | 108.9 | S186 P190 | S186-S188 PolarHBondContact O-N 3.2Å; S188-P190 CarbonylContact O-C 3.4Å; S188-P190 VanDerWaalsContact O-O 3.11Å |
| 189 | F | 84.7 | Confident | 71.3 | Confident | 45 Ų | 45 | 78.4 Ų | 78.4 | 20% | 0.197 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -87.6 | 137.8 | 170.5 | 178.5 | -95.3 | 0 | 0 | 0 | 110.1 | Q187 F211 M246 Q248 F250 | Q187-F189 PolarHBondContact O-N 2.79Å; Q187-F189 VanDerWaalsContact O-N 3.12Å; F189-F211 HydrophobicContact CE1-CZ 4.44Å; F189-F211 HydrophobicContact CZ-CE2 4.01Å; F189-F211 HydrophobicContact CZ-CZ 4.36Å; F189-M246 HydrophobicContact CB-SD 3.87Å; F189-M246 HydrophobicContact CD1-CB 4.46Å; F189-M246 HydrophobicContact CD2-CB 3.53Å; F189-M246 HydrophobicContact CD2-CG 4.38Å; F189-M246 HydrophobicContact CD2-SD 4.11Å; F189-M246 HydrophobicContact CE2-CB 3.68Å; F189-M246 WeakPolarHBondContact CE2-O 3.46Å; F189-M246 HydrophobicContact CG-CB 3.96Å; F189-M246 HydrophobicContact CG-SD 4.14Å; F189-M246 HydrophobicContact CZ-CB 4.21Å; F189-M246 WeakPolarHBondContact CZ-O 3.21Å; F189-Q248 HydrophobicContact CD1-CG 4.18Å; F189-Q248 HydrophobicContact CE1-CG 4.19Å; F189-F250 HydrophobicContact CD1-CB 4.3Å; F189-F250 HydrophobicContact CE1-CB 4.29Å; F189-F250 HydrophobicContact CE1-CD1 4.18Å |
| 190 | P | 93 | Very high | 73.3 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 44% | 0.437 | C | S | . | . | S | Bend | cis | -72.5 | 149.8 | -11.3 | 30.3 | -37.4 | 0 | 0 | 0 | 112.1 | S188 L206 A207 L208 F250 L252 | S188-P190 CarbonylContact O-C 3.4Å; S188-P190 VanDerWaalsContact O-O 3.11Å; P190-L206 HydrophobicContact CG-CD2 4.11Å; P190-A207 WeakPolarHBondContact CB-O 3.37Å; P190-L208 HydrophobicContact CB-CD2 3.49Å; P190-L208 VanDerWaalsContact CB-CD2 3.49Å; P190-L208 HydrophobicContact CG-CD2 3.52Å; P190-F250 VanDerWaalsContact CD-CD2 3.45Å; P190-F250 HydrophobicContact CG-CD1 4.38Å; P190-F250 HydrophobicContact CG-CD2 3.82Å; P190-F250 HydrophobicContact CG-CE1 4.33Å; P190-F250 HydrophobicContact CG-CE2 3.79Å; P190-F250 HydrophobicContact CG-CG 4.14Å; P190-F250 HydrophobicContact CG-CZ 4.06Å; P190-L252 HydrophobicContact CG-CD1 3.59Å; P190-L252 HydrophobicContact CG-CG 4.45Å |
| 191 | P | 94.2 | Very high | 75.8 | Confident | 45 Ų | 45 | 75.3 Ų | 75.3 | 29% | 0.292 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 143.8 | 172.9 | 27.3 | -30.7 | 0 | 0 | 0 | 109.8 | G89 I90 A207 | G89-P191 WeakPolarHBondContact O-CB 3.42Å; I90-P191 HydrophobicContact CG1-CB 4.1Å; I90-P191 HydrophobicContact CG1-CG 4.45Å; I90-P191 WeakPolarHBondContact CG1-O 3.44Å; P191-A207 HydrophobicContact CG-CB 4.16Å; P191-A207 PolarHBondContact O-N 2.93Å |
| 192 | Y | 96.4 | Very high | 78.1 | Confident | 21 Ų | 21 | 68 Ų | 68 | 8% | 0.082 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 156.3 | -177.6 | 65.7 | -87.1 | 0 | 0 | 0 | 112 | Y87 G89 K175 I194 T205 L252 F254 | Y87-Y192 AromaticContact CD1-CD2 3.62Å; Y87-Y192 HydrophobicContact CD1-CD2 3.62Å; Y87-Y192 AromaticContact CD1-CE2 3.28Å; Y87-Y192 HydrophobicContact CD1-CE2 3.28Å; Y87-Y192 HydrophobicContact CD1-CG 4.46Å; Y87-Y192 AromaticContact CD1-CZ 3.9Å; Y87-Y192 WeakPolarHBondContact CD1-O 3.04Å; Y87-Y192 HydrophobicContact CE1-CD1 4.26Å; Y87-Y192 AromaticContact CE1-CD2 3.69Å; Y87-Y192 HydrophobicContact CE1-CD2 3.69Å; Y87-Y192 AromaticContact CE1-CE1 3.94Å; Y87-Y192 HydrophobicContact CE1-CE1 3.94Å; Y87-Y192 AromaticContact CE1-CE2 3.32Å; Y87-Y192 HydrophobicContact CE1-CE2 3.32Å; Y87-Y192 HydrophobicContact CE1-CG 4.14Å; Y87-Y192 AromaticContact CE1-CZ 3.46Å; Y87-Y192 VanDerWaalsContact CE1-CZ 3.46Å; Y87-Y192 WeakPolarHBondContact CE1-O 2.83Å; Y87-Y192 HydrophobicContact CG-CE2 4.2Å; G89-Y192 VanDerWaalsContact CA-O 3.28Å; G89-Y192 WeakPolarHBondContact CA-O 3.36Å; G89-Y192 PolarHBondContact N-O 2.82Å; K175-Y192 PolarHBondContact NZ-OH 3.09Å; Y192-I194 HydrophobicContact CD2-CD1 4.47Å; Y192-I194 HydrophobicContact CD2-CG1 4.07Å; Y192-I194 HydrophobicContact CE2-CD1 4.03Å; Y192-I194 HydrophobicContact CE2-CG1 4.1Å; Y192-T205 CarbonylContact C-O 3.59Å; Y192-T205 WeakPolarHBondContact CA-O 3.36Å; Y192-T205 VanDerWaalsContact CB-O 3.27Å; Y192-T205 WeakPolarHBondContact CB-O 3.37Å; Y192-L252 HydrophobicContact CD1-CD1 4.26Å; Y192-F254 AromaticContact CD2-CE1 3.91Å; Y192-F254 HydrophobicContact CD2-CE1 3.91Å; Y192-F254 HydrophobicContact CD2-CZ 4.24Å; Y192-F254 AromaticContact CE2-CE1 3.74Å; Y192-F254 HydrophobicContact CE2-CE1 3.74Å; Y192-F254 HydrophobicContact CE2-CZ 4.43Å; Y192-F254 HydrophobicContact CG-CE1 4.45Å; Y192-F254 HydrophobicContact CG-CZ 4.37Å |
| 193 | N | 96 | Very high | 80.7 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 151.9 | 169.8 | -69.2 | -10.6 | 0 | 0 | 0 | 109.3 | Y85 Y87 Q88 G89 I90 E92 I204 T205 | Y85-N193 HydrophobicContact CD1-CB 4.16Å; Y85-N193 HydrophobicContact CE1-CB 4.05Å; Y87-N193 CarbonylContact O-C 3.57Å; Y87-N193 WeakPolarHBondContact O-CA 3.43Å; Q88-N193 VanDerWaalsContact CA-OD1 3.26Å; Q88-N193 WeakPolarHBondContact CA-OD1 3.38Å; G89-N193 PolarHBondContact N-OD1 2.8Å; I90-N193 PolarHBondContact N-OD1 3.31Å; E92-N193 PolarHBondContact OE1-ND2 2.91Å; N193-I204 WeakPolarHBondContact O-CA 3.41Å; N193-T205 PolarHBondContact N-O 3.29Å; N193-T205 PolarHBondContact O-N 3.15Å |
| 194 | I | 95.7 | Very high | 83.5 | Confident | 33 Ų | 33 | 61.7 Ų | 61.7 | 17% | 0.169 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 112.7 | 166 | -54.2 | 178.3 | 0 | 0 | 0 | 106.6 | L86 Y87 Y192 R203 I204 | L86-I194 HydrophobicContact CB-CB 4.39Å; L86-I194 HydrophobicContact CB-CG2 4.22Å; L86-I194 HydrophobicContact CD1-CG2 4.19Å; L86-I194 PolarHBondContact N-O 3.33Å; Y87-I194 PolarHBondContact N-O 2.79Å; Y87-I194 PolarHBondContact O-N 3.07Å; Y192-I194 HydrophobicContact CD2-CD1 4.47Å; Y192-I194 HydrophobicContact CD2-CG1 4.07Å; Y192-I194 HydrophobicContact CE2-CD1 4.03Å; Y192-I194 HydrophobicContact CE2-CG1 4.1Å; I194-R203 CarbonylContact C-O 3.56Å; I194-R203 WeakPolarHBondContact CA-O 3.46Å; I194-I204 HydrophobicContact CG1-CG1 4.4Å |
| 195 | E | 94.5 | Very high | 86.5 | Confident | 11 Ų | 11 | 59.4 Ų | 59.4 | 5% | 0.051 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 140.9 | -177 | -66.4 | 166.8 | -118.9 | 0 | 0 | 109.5 | R83 Y85 Y202 R203 T205 | R83-E195 WeakPolarHBondContact CD-OE2 3.43Å; R83-E195 IonicContact NE-OE2 3.64Å; R83-E195 IonicContact NH1-OE2 2.89Å; Y85-E195 HydrophobicContact CD1-CG 3.63Å; Y85-E195 HydrophobicContact CE1-CG 3.44Å; Y85-E195 VanDerWaalsContact CE1-CG 3.44Å; E195-Y202 CarbonylContact O-C 3.56Å; E195-Y202 VanDerWaalsContact O-CA 3.25Å; E195-Y202 WeakPolarHBondContact O-CA 3.28Å; E195-R203 HydrophobicContact CB-CB 4.36Å; E195-R203 PolarHBondContact N-O 2.83Å; E195-R203 PolarHBondContact O-N 2.81Å; E195-T205 PolarHBondContact OE1-OG1 2.82Å |
| 196 | K | 94 | Very high | 89.1 | Confident | 49 Ų | 49 | 49.6 Ų | 49.6 | 21% | 0.213 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 111.5 | 167.8 | -177.3 | -177 | 177.6 | -165.3 | 0 | 107.4 | T84 L86 D198 D199 Y202 | T84-K196 PolarHBondContact O-N 3.39Å; L86-K196 HydrophobicContact CD1-CB 4.22Å; L86-K196 HydrophobicContact CD2-CB 4.23Å; L86-K196 HydrophobicContact CG-CB 4.05Å; K196-D198 VanDerWaalsContact CE-C 3.44Å; K196-D198 WeakPolarHBondContact CE-O 3.35Å; K196-D198 WeakPolarHBondContact CG-O 3.35Å; K196-D199 IonicContact NZ-OD1 3.77Å; K196-D199 PolarHBondContact NZ-OD1 3.46Å; K196-Y202 HydrophobicContact CB-CD1 3.97Å; K196-Y202 HydrophobicContact CB-CE1 4.05Å; K196-Y202 HydrophobicContact CD-CE1 3.92Å; K196-Y202 HydrophobicContact CG-CD1 3.97Å; K196-Y202 HydrophobicContact CG-CE1 3.66Å |
| 197 | S | 90.6 | Very high | 91.3 | Very high | 90 Ų | 90 | 45.4 Ų | 45.4 | 63% | 0.629 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -81.5 | -41 | 177.1 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | H201 | S197-H201 PolarHBondContact N-O 2.86Š|
| 198 | D | 90.8 | Very high | 93.1 | Very high | 75 Ų | 75 | 36.8 Ų | 36.8 | 40% | 0.401 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -153.7 | -168.7 | 171.9 | 63.5 | 45.5 | 0 | 0 | 0 | 110.3 | K196 N200 H201 | K196-D198 VanDerWaalsContact CE-C 3.44Å; K196-D198 WeakPolarHBondContact CE-O 3.35Å; K196-D198 WeakPolarHBondContact CG-O 3.35Å; D198-N200 PolarHBondContact O-N 3.39Å; D198-N200 WeakPolarHBondContact OD1-CA 3.36Å; D198-N200 PolarHBondContact OD1-N 3.1Å; D198-H201 PolarHBondContact N-O 2.83Å; D198-H201 IonicContact OD1-CE1 3.9Å; D198-H201 IonicContact OD1-CG 2.71Å; D198-H201 PolarHBondContact OD1-N 2.98Å; D198-H201 IonicContact OD1-ND1 3.01Å; D198-H201 PolarHBondContact OD1-ND1 3.16Å; D198-H201 IonicContact OD2-CE1 2.84Å; D198-H201 IonicContact OD2-CG 2.68Å; D198-H201 IonicContact OD2-ND1 3.33Å; D198-H201 PolarHBondContact OD2-ND1 2.68Å |
| 199 | D | 88.1 | Confident | 94.2 | Very high | 105 Ų | 105 | 35.2 Ų | 35.2 | 56% | 0.561 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -62 | -22.1 | -177.1 | -70.7 | -29.6 | 0 | 0 | 0 | 114.9 | K196 Y202 | K196-D199 IonicContact NZ-OD1 3.77Å; K196-D199 PolarHBondContact NZ-OD1 3.46Å; D199-Y202 PolarHBondContact O-OH 3.32Å |
| 200 | N | 92.8 | Very high | 94.7 | Very high | 52 Ų | 52 | 33.9 Ų | 33.9 | 28% | 0.278 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -118.9 | -17.1 | -176.6 | -64.5 | -30.4 | 0 | 0 | 0 | 113.7 | D198 I277 R278 | D198-N200 PolarHBondContact O-N 3.39Å; D198-N200 WeakPolarHBondContact OD1-CA 3.36Å; D198-N200 PolarHBondContact OD1-N 3.1Å; N200-I277 CarbonylContact O-C 3.47Å; N200-I277 VanDerWaalsContact O-CA 3.3Å; N200-I277 WeakPolarHBondContact O-CA 3.09Å; N200-R278 PolarHBondContact O-N 3.37Å; N200-R278 PolarHBondContact OD1-O 3.16Å |
| 201 | H | 95.6 | Very high | 94.9 | Very high | 81 Ų | 81 | 33.9 Ų | 33.9 | 38% | 0.375 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.9 | -177.2 | -60.5 | 92.3 | 0 | 0 | 0 | 112.2 | S197 D198 | S197-H201 PolarHBondContact N-O 2.86Å; D198-H201 PolarHBondContact N-O 2.83Å; D198-H201 IonicContact OD1-CE1 3.9Å; D198-H201 IonicContact OD1-CG 2.71Å; D198-H201 PolarHBondContact OD1-N 2.98Å; D198-H201 IonicContact OD1-ND1 3.01Å; D198-H201 PolarHBondContact OD1-ND1 3.16Å; D198-H201 IonicContact OD2-CE1 2.84Å; D198-H201 IonicContact OD2-CG 2.68Å; D198-H201 IonicContact OD2-ND1 3.33Å; D198-H201 PolarHBondContact OD2-ND1 2.68Å |
| 202 | Y | 96.6 | Very high | 94.9 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 4% | 0.043 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 155.5 | 178.6 | -54.5 | -101.9 | 0 | 0 | 0 | 110 | L86 W170 E195 K196 D199 M260 L276 R278 | L86-Y202 HydrophobicContact CD1-CD1 3.86Å; L86-Y202 HydrophobicContact CD1-CE1 3.85Å; W170-Y202 WeakPolarHBondContact CZ3-OH 3.26Å; E195-Y202 CarbonylContact O-C 3.56Å; E195-Y202 VanDerWaalsContact O-CA 3.25Å; E195-Y202 WeakPolarHBondContact O-CA 3.28Å; K196-Y202 HydrophobicContact CB-CD1 3.97Å; K196-Y202 HydrophobicContact CB-CE1 4.05Å; K196-Y202 HydrophobicContact CD-CE1 3.92Å; K196-Y202 HydrophobicContact CG-CD1 3.97Å; K196-Y202 HydrophobicContact CG-CE1 3.66Å; D199-Y202 PolarHBondContact O-OH 3.32Å; Y202-M260 HydrophobicContact CD2-CE 3.97Å; Y202-M260 HydrophobicContact CE1-CE 4.44Å; Y202-M260 HydrophobicContact CE2-CE 3.65Å; Y202-L276 PolarHBondContact N-O 2.73Å; Y202-L276 PolarHBondContact O-N 3.34Å; Y202-R278 HydrophobicContact CE2-CB 4.02Å |
| 203 | R | 97 | Very high | 94.9 | Very high | 84 Ų | 84 | 40.6 Ų | 40.6 | 32% | 0.317 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 131.6 | 176.3 | 175.3 | 173 | -71.5 | -179.4 | -4.2 | 110.5 | I194 E195 H273 I274 D275 | I194-R203 CarbonylContact C-O 3.56Å; I194-R203 WeakPolarHBondContact CA-O 3.46Å; E195-R203 HydrophobicContact CB-CB 4.36Å; E195-R203 PolarHBondContact N-O 2.83Å; E195-R203 PolarHBondContact O-N 2.81Å; R203-H273 HydrophobicContact CG-CB 4.36Å; R203-I274 WeakPolarHBondContact CA-O 3.28Å; R203-D275 IonicContact CZ-OD1 2.72Å; R203-D275 IonicContact CZ-OD2 3.7Å; R203-D275 IonicContact NE-OD1 2.78Å; R203-D275 PolarHBondContact NE-OD1 2.75Å; R203-D275 VanDerWaalsContact NH2-CG 3.31Å; R203-D275 IonicContact NH2-OD1 3.88Å; R203-D275 PolarHBondContact NH2-OD1 3.01Å; R203-D275 IonicContact NH2-OD2 4Å; R203-D275 PolarHBondContact NH2-OD2 3.19Å; R203-D275 VanDerWaalsContact NH2-OD2 3.08Å |
| 204 | I | 97.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 122 | 166.2 | -55.9 | 177.2 | 0 | 0 | 0 | 107.2 | N193 I194 L206 L225 F254 H273 I274 L276 | N193-I204 WeakPolarHBondContact O-CA 3.41Å; I194-I204 HydrophobicContact CG1-CG1 4.4Å; I204-L206 HydrophobicContact CG2-CD1 3.79Å; I204-L206 HydrophobicContact CG2-CG 4.45Å; I204-L225 HydrophobicContact CD1-CD2 4.07Å; I204-F254 HydrophobicContact CD1-CB 4.32Å; I204-F254 HydrophobicContact CD1-CD1 3.98Å; I204-F254 HydrophobicContact CD1-CD2 4.19Å; I204-F254 HydrophobicContact CD1-CE1 4.34Å; I204-F254 HydrophobicContact CD1-CG 3.9Å; I204-F254 HydrophobicContact CG2-CE1 4.13Å; I204-F254 HydrophobicContact CG2-CE2 4.29Å; I204-F254 HydrophobicContact CG2-CZ 3.86Å; I204-H273 CarbonylContact O-C 3.55Å; I204-H273 WeakPolarHBondContact O-CA 3.3Å; I204-I274 HydrophobicContact CB-CB 4.4Å; I204-I274 PolarHBondContact N-O 2.82Å; I204-I274 PolarHBondContact O-N 2.8Å; I204-L276 HydrophobicContact CD1-CD1 3.9Å; I204-L276 HydrophobicContact CG1-CD1 4.03Å |
| 205 | T | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.3 | 177.5 | -61 | 0 | 0 | 0 | 0 | 109 | I90 Y192 N193 E195 L271 L272 H273 | I90-T205 HydrophobicContact CD1-CG2 3.95Å; I90-T205 WeakPolarHBondContact CD1-O 3.22Å; Y192-T205 CarbonylContact C-O 3.59Å; Y192-T205 WeakPolarHBondContact CA-O 3.36Å; Y192-T205 VanDerWaalsContact CB-O 3.27Å; Y192-T205 WeakPolarHBondContact CB-O 3.37Å; N193-T205 PolarHBondContact N-O 3.29Å; N193-T205 PolarHBondContact O-N 3.15Å; E195-T205 PolarHBondContact OE1-OG1 2.82Å; T205-L271 HydrophobicContact CG2-CB 4.26Å; T205-L271 HydrophobicContact CG2-CD1 4.14Å; T205-L271 HydrophobicContact CG2-CD2 4.24Å; T205-L271 HydrophobicContact CG2-CG 4.46Å; T205-L272 CarbonylContact C-O 3.39Å; T205-L272 VanDerWaalsContact CA-O 3.26Å; T205-L272 WeakPolarHBondContact CA-O 3.47Å; T205-H273 WeakPolarHBondContact CG2-ND1 3.39Å; T205-H273 PolarHBondContact OG1-ND1 2.8Å |
| 206 | L | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.9 | 176.8 | -59.2 | 92.2 | 0 | 0 | 0 | 110.4 | P190 I204 L208 V227 L252 L271 L272 I274 | P190-L206 HydrophobicContact CG-CD2 4.11Å; I204-L206 HydrophobicContact CG2-CD1 3.79Å; I204-L206 HydrophobicContact CG2-CG 4.45Å; L206-L208 HydrophobicContact CB-CD1 4.26Å; L206-L208 HydrophobicContact CB-CD2 4.35Å; L206-L208 HydrophobicContact CB-CG 4.08Å; L206-V227 HydrophobicContact CD2-CG1 4.26Å; L206-L252 HydrophobicContact CD2-CD1 3.61Å; L206-L271 WeakPolarHBondContact O-CA 3.25Å; L206-L272 HydrophobicContact CB-CB 4.37Å; L206-L272 HydrophobicContact CD1-CB 4.44Å; L206-L272 HydrophobicContact CD1-CD2 4.15Å; L206-L272 HydrophobicContact CD1-CG 4.33Å; L206-L272 PolarHBondContact N-O 2.89Å; L206-L272 PolarHBondContact O-N 2.78Å; L206-I274 HydrophobicContact CD1-CD1 4.24Å |
| 207 | A | 96.2 | Very high | 95.2 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 12% | 0.124 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 111.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | A54 I90 P190 P191 L271 | A54-A207 HydrophobicContact CB-CB 4.16Å; I90-A207 HydrophobicContact CD1-CB 3.84Å; I90-A207 HydrophobicContact CG1-CB 3.95Å; I90-A207 HydrophobicContact CG2-CB 4.26Å; P190-A207 WeakPolarHBondContact CB-O 3.37Å; P191-A207 HydrophobicContact CG-CB 4.16Å; P191-A207 PolarHBondContact O-N 2.93Å; A207-L271 HydrophobicContact CB-CD2 3.75Å |
| 208 | L | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -125.2 | 46 | -171.7 | -56.1 | 175.6 | 0 | 0 | 0 | 110.1 | P190 L206 G210 F211 L216 F250 F267 G270 L272 | P190-L208 HydrophobicContact CB-CD2 3.49Å; P190-L208 VanDerWaalsContact CB-CD2 3.49Å; P190-L208 HydrophobicContact CG-CD2 3.52Å; L206-L208 HydrophobicContact CB-CD1 4.26Å; L206-L208 HydrophobicContact CB-CD2 4.35Å; L206-L208 HydrophobicContact CB-CG 4.08Å; L208-G210 PolarHBondContact O-N 2.94Å; L208-G210 VanDerWaalsContact O-N 3.14Å; L208-F211 HydrophobicContact CB-CB 4.1Å; L208-F211 HydrophobicContact CB-CD2 3.96Å; L208-F211 HydrophobicContact CB-CG 4.2Å; L208-F211 PolarHBondContact O-N 2.78Å; L208-L216 HydrophobicContact CD1-CD1 3.67Å; L208-L216 HydrophobicContact CD1-CD2 3.83Å; L208-L216 HydrophobicContact CD1-CG 4.42Å; L208-F250 HydrophobicContact CD1-CZ 4.13Å; L208-F250 HydrophobicContact CD2-CD1 4.44Å; L208-F250 HydrophobicContact CD2-CE1 3.49Å; L208-F250 VanDerWaalsContact CD2-CE1 3.49Å; L208-F250 HydrophobicContact CD2-CE2 4.33Å; L208-F250 HydrophobicContact CD2-CZ 3.43Å; L208-F250 VanDerWaalsContact CD2-CZ 3.43Å; L208-F250 HydrophobicContact CG-CZ 4.45Å; L208-F267 HydrophobicContact CB-CE2 4.01Å; L208-F267 HydrophobicContact CB-CZ 4.35Å; L208-F267 HydrophobicContact CD1-CE2 4.24Å; L208-G270 CarbonylContact C-O 3.48Å; L208-G270 WeakPolarHBondContact CA-O 3.47Å; L208-G270 PolarHBondContact N-O 2.74Å; L208-L272 HydrophobicContact CD1-CB 3.76Å; L208-L272 HydrophobicContact CD1-CD2 4.1Å | ||
| 209 | A | 95.5 | Very high | 95.8 | Very high | 19 Ų | 19 | 48 Ų | 48 | 16% | 0.157 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 122.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | A52 A54 N114 L116 | A52-A209 HydrophobicContact CB-CB 3.62Å; A54-A209 HydrophobicContact CB-CB 4.04Å; N114-A209 WeakPolarHBondContact O-CA 3.37Å; L116-A209 HydrophobicContact CD2-CB 3.97Å; L116-A209 HydrophobicContact CG-CB 4.25Å |
| 210 | G | 94.1 | Very high | 96 | Very high | 16 Ų | 16 | 46.6 Ų | 46.6 | 17% | 0.165 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | -5.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | N114 L208 | N114-G210 PolarHBondContact O-N 2.88Å; L208-G210 PolarHBondContact O-N 2.94Å; L208-G210 VanDerWaalsContact O-N 3.14Å |
| 211 | F | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -86.3 | 144.6 | 170.7 | -71.6 | -104.7 | 0 | 0 | 0 | 110.6 | N114 F189 L208 D215 L216 P231 N247 F250 F267 | N114-F211 WeakPolarHBondContact CB-O 3.37Å; F189-F211 HydrophobicContact CE1-CZ 4.44Å; F189-F211 HydrophobicContact CZ-CE2 4.01Å; F189-F211 HydrophobicContact CZ-CZ 4.36Å; L208-F211 HydrophobicContact CB-CB 4.1Å; L208-F211 HydrophobicContact CB-CD2 3.96Å; L208-F211 HydrophobicContact CB-CG 4.2Å; L208-F211 PolarHBondContact O-N 2.78Å; F211-D215 HydrophobicContact CD1-CB 4.34Å; F211-L216 HydrophobicContact CB-CD2 4.04Å; F211-L216 HydrophobicContact CD1-CD2 3.74Å; F211-L216 HydrophobicContact CG-CD2 4.15Å; F211-P231 HydrophobicContact CD1-CB 4.29Å; F211-P231 HydrophobicContact CE1-CB 4.01Å; F211-P231 HydrophobicContact CE1-CG 4.08Å; F211-P231 HydrophobicContact CZ-CB 4.25Å; F211-P231 HydrophobicContact CZ-CG 4.13Å; F211-N247 WeakPolarHBondContact CE2-OD1 3.43Å; F211-F250 HydrophobicContact CD1-CE1 4.11Å; F211-F250 AromaticContact CE1-CD1 3.8Å; F211-F250 HydrophobicContact CE1-CD1 3.8Å; F211-F250 AromaticContact CE1-CE1 3.58Å; F211-F250 HydrophobicContact CE1-CE1 3.58Å; F211-F250 HydrophobicContact CE2-CE1 4.36Å; F211-F250 AromaticContact CZ-CD1 3.69Å; F211-F250 HydrophobicContact CZ-CD1 3.69Å; F211-F250 AromaticContact CZ-CE1 3.74Å; F211-F250 HydrophobicContact CZ-CE1 3.74Å; F211-F267 HydrophobicContact CB-CZ 4.46Å; F211-F267 VanDerWaalsContact O-CE1 3.27Å; F211-F267 WeakPolarHBondContact O-CE1 3.31Å; F211-F267 WeakPolarHBondContact O-CZ 3.37Å | ||
| 212 | R | 95.3 | Very high | 95.9 | Very high | 64 Ų | 64 | 50.3 Ų | 50.3 | 24% | 0.242 | 26% | 0.263 | C | S | . | . | trans | -92.8 | 156.6 | 168.9 | -55.4 | 170.4 | -60.3 | 150.7 | 21.5 | 108.9 | E214 D215 E232 | R212-E214 HydrophobicContact CB-CG 3.91Å; R212-E214 IonicContact CZ-OE1 2.81Å; R212-E214 IonicContact NE-OE1 3.13Å; R212-E214 IonicContact NH1-OE1 2.96Å; R212-E214 PolarHBondContact NH1-OE1 3.13Å; R212-E214 IonicContact NH2-OE1 3.63Å; R212-E214 PolarHBondContact NH2-OE1 3.16Å; R212-E214 PolarHBondContact O-N 2.95Å; R212-D215 VanDerWaalsContact CB-OD2 3.28Å; R212-D215 WeakPolarHBondContact CB-OD2 3.46Å; R212-D215 WeakPolarHBondContact CG-OD2 3.39Å; R212-D215 IonicContact CZ-OD1 3.3Å; R212-D215 IonicContact CZ-OD2 3.05Å; R212-D215 PolarHBondContact N-OD2 3.01Å; R212-D215 IonicContact NE-OD1 3.44Å; R212-D215 PolarHBondContact NE-OD1 2.82Å; R212-D215 IonicContact NE-OD2 3.88Å; R212-D215 PolarHBondContact NE-OD2 2.77Å; R212-D215 IonicContact NH2-OD1 2.74Å; R212-D215 PolarHBondContact NH2-OD1 2.95Å; R212-D215 IonicContact NH2-OD2 3.56Å; R212-D215 VanDerWaalsContact O-CB 3.32Å; R212-D215 WeakPolarHBondContact O-CB 3.44Å; R212-D215 PolarHBondContact O-N 2.84Å; R212-E232 IonicContact CZ-OE2 3.79Å; R212-E232 IonicContact NE-OE2 3.08Å; R212-E232 IonicContact NH1-OE2 3.99Å; R212-E232 PolarHBondContact NH1-OE2 2.9Å; R212-E232 IonicContact NH2-OE2 3.58Å | ||
| 213 | Q | 95.3 | Very high | 95.6 | Very high | 143 Ų | 143 | 52.6 Ų | 52.6 | 67% | 0.668 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -57.7 | -36.3 | 177.3 | -175.9 | 176.8 | -19.1 | 0 | 0 | 112.2 | D215 L216 F267 | Q213-D215 PolarHBondContact O-N 2.77Å; Q213-L216 PolarHBondContact O-N 2.86Å; Q213-F267 HydrophobicContact CB-CD1 4Å |
| 214 | E | 96 | Very high | 95.5 | Very high | 149 Ų | 149 | 55.2 Ų | 55.2 | 70% | 0.696 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -68.7 | -16.9 | 176.8 | 61.6 | -174.2 | -127.9 | 0 | 0 | 114.3 | R212 L216 | R212-E214 HydrophobicContact CB-CG 3.91Å; R212-E214 IonicContact CZ-OE1 2.81Å; R212-E214 IonicContact NE-OE1 3.13Å; R212-E214 IonicContact NH1-OE1 2.96Å; R212-E214 PolarHBondContact NH1-OE1 3.13Å; R212-E214 IonicContact NH2-OE1 3.63Å; R212-E214 PolarHBondContact NH2-OE1 3.16Å; R212-E214 PolarHBondContact O-N 2.95Å; E214-L216 VanDerWaalsContact C-N 3.26Å |
| 215 | D | 95.7 | Very high | 95.5 | Very high | 21 Ų | 21 | 55.1 Ų | 55.1 | 11% | 0.112 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -83.7 | -5.9 | 177.3 | -60.3 | -27.9 | 0 | 0 | 0 | 111.9 | F211 R212 Q213 G229 T230 | F211-D215 HydrophobicContact CD1-CB 4.34Å; R212-D215 VanDerWaalsContact CB-OD2 3.28Å; R212-D215 WeakPolarHBondContact CB-OD2 3.46Å; R212-D215 WeakPolarHBondContact CG-OD2 3.39Å; R212-D215 IonicContact CZ-OD1 3.3Å; R212-D215 IonicContact CZ-OD2 3.05Å; R212-D215 PolarHBondContact N-OD2 3.01Å; R212-D215 IonicContact NE-OD1 3.44Å; R212-D215 PolarHBondContact NE-OD1 2.82Å; R212-D215 IonicContact NE-OD2 3.88Å; R212-D215 PolarHBondContact NE-OD2 2.77Å; R212-D215 IonicContact NH2-OD1 2.74Å; R212-D215 PolarHBondContact NH2-OD1 2.95Å; R212-D215 IonicContact NH2-OD2 3.56Å; R212-D215 VanDerWaalsContact O-CB 3.32Å; R212-D215 WeakPolarHBondContact O-CB 3.44Å; R212-D215 PolarHBondContact O-N 2.84Å; Q213-D215 PolarHBondContact O-N 2.77Å; D215-G229 CarbonylContact O-C 3.58Å; D215-G229 VanDerWaalsContact O-CA 3.28Å; D215-G229 WeakPolarHBondContact O-CA 3.31Å; D215-T230 WeakPolarHBondContact CB-O 3.36Å; D215-T230 PolarHBondContact O-N 2.93Å |
| 216 | L | 97.3 | Very high | 95.4 | Very high | 29 Ų | 29 | 55.7 Ų | 55.7 | 15% | 0.152 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 138.1 | -171.3 | -56.4 | 179.3 | 0 | 0 | 0 | 111.9 | L208 F211 Q213 E214 K228 F250 F267 L272 | L208-L216 HydrophobicContact CD1-CD1 3.67Å; L208-L216 HydrophobicContact CD1-CD2 3.83Å; L208-L216 HydrophobicContact CD1-CG 4.42Å; F211-L216 HydrophobicContact CB-CD2 4.04Å; F211-L216 HydrophobicContact CD1-CD2 3.74Å; F211-L216 HydrophobicContact CG-CD2 4.15Å; Q213-L216 PolarHBondContact O-N 2.86Å; E214-L216 VanDerWaalsContact C-N 3.26Å; L216-K228 WeakPolarHBondContact CA-O 3.19Å; L216-F250 HydrophobicContact CD2-CE1 4.29Å; L216-F250 HydrophobicContact CD2-CZ 4.22Å; L216-F267 HydrophobicContact CD1-CD2 3.96Å; L216-F267 HydrophobicContact CD1-CE2 3.95Å; L216-F267 HydrophobicContact CD1-CG 4.27Å; L216-F267 HydrophobicContact CD1-CZ 4.22Å; L216-L272 HydrophobicContact CD1-CD2 4.44Å |
| 217 | E | 97.5 | Very high | 95.4 | Very high | 88 Ų | 88 | 55.7 Ų | 55.7 | 41% | 0.411 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 128.8 | 175.6 | 177.4 | 176.5 | -144.4 | 0 | 0 | 109.6 | Q219 V227 K228 | E217-Q219 HydrophobicContact CG-CG 3.93Å; E217-Q219 PolarHBondContact OE1-NE2 3.41Å; E217-V227 CarbonylContact O-C 3.57Å; E217-V227 WeakPolarHBondContact O-CA 3.46Å; E217-K228 HydrophobicContact CB-CB 4.35Å; E217-K228 PolarHBondContact N-O 2.89Å; E217-K228 PolarHBondContact O-N 3.5Å |
| 218 | I | 97.2 | Very high | 95.4 | Very high | 65 Ų | 65 | 58.5 Ų | 58.5 | 33% | 0.333 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 123.3 | 176.3 | -52.3 | 172.8 | 0 | 0 | 0 | 107.6 | L225 S226 V227 A265 L272 I274 | I218-L225 HydrophobicContact CG2-CD1 3.67Å; I218-S226 WeakPolarHBondContact CA-O 3.27Å; I218-V227 HydrophobicContact CG1-CG1 4.46Å; I218-A265 HydrophobicContact CD1-CB 3.76Å; I218-L272 HydrophobicContact CD1-CD1 3.97Å; I218-L272 HydrophobicContact CD1-CD2 3.89Å; I218-L272 HydrophobicContact CD1-CG 4.45Å; I218-L272 HydrophobicContact CG1-CD2 4.34Å; I218-I274 HydrophobicContact CD1-CD1 4.17Å; I218-I274 HydrophobicContact CD1-CG1 4.31Å; I218-I274 HydrophobicContact CG2-CD1 4.28Å |
| 219 | Q | 96.8 | Very high | 95.4 | Very high | 61 Ų | 61 | 58.5 Ų | 58.5 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 137.4 | -178.8 | -67.7 | 179.1 | -29.2 | 0 | 0 | 109.6 | E217 L225 S226 | E217-Q219 HydrophobicContact CG-CG 3.93Å; E217-Q219 PolarHBondContact OE1-NE2 3.41Å; Q219-L225 CarbonylContact O-C 3.21Å; Q219-L225 WeakPolarHBondContact O-CA 3.26Å; Q219-S226 PolarHBondContact N-O 2.97Å; Q219-S226 PolarHBondContact O-N 3.3Å |
| 220 | L | 93.8 | Very high | 95.4 | Very high | 76 Ų | 76 | 61.9 Ų | 61.9 | 40% | 0.398 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 109.4 | 171.2 | 179.1 | 61.4 | 0 | 0 | 0 | 108.7 | G222 R224 L225 L256 V262 | L220-G222 WeakPolarHBondContact CD1-O 3.4Å; L220-R224 WeakPolarHBondContact CA-O 3.4Å; L220-L225 HydrophobicContact CB-CD1 4.41Å; L220-L225 HydrophobicContact CD1-CB 4.05Å; L220-L256 HydrophobicContact CD1-CD1 3.85Å; L220-L256 HydrophobicContact CD2-CD1 4.45Å; L220-V262 HydrophobicContact CD2-CG2 4.04Å |
| 221 | E | 93.7 | Very high | 95.2 | Very high | 138 Ų | 138 | 61.4 Ų | 61.4 | 65% | 0.645 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 104.9 | 177.2 | -68.3 | -178.1 | -179.2 | 0 | 0 | 109.4 | T223 R224 | E221-T223 PolarHBondContact O-N 3.09Å; E221-T223 VanDerWaalsContact O-N 3.16Å; E221-R224 PolarHBondContact N-O 3.22Å; E221-R224 WeakPolarHBondContact O-CB 3.47Å; E221-R224 PolarHBondContact O-N 3.43Å |
| 222 | G | 91.6 | Very high | 94.7 | Very high | 74 Ų | 74 | 66.5 Ų | 66.5 | 76% | 0.763 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | -118.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L220 | L220-G222 WeakPolarHBondContact CD1-O 3.4Š|
| 223 | T | 91.3 | Very high | 94.1 | Very high | 58 Ų | 58 | 69.9 Ų | 69.9 | 36% | 0.356 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -1 | 176 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | E221 L256 E258 | E221-T223 PolarHBondContact O-N 3.09Å; E221-T223 VanDerWaalsContact O-N 3.16Å; T223-L256 WeakPolarHBondContact CB-O 3.07Å; T223-L256 PolarHBondContact O-N 3.08Å; T223-E258 HydrophobicContact CG2-CG 4.17Å |
| 224 | R | 95.2 | Very high | 93.3 | Very high | 140 Ų | 140 | 66.6 Ų | 66.6 | 53% | 0.528 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 105.8 | -175.1 | -167.1 | 178.2 | -160.6 | 127.9 | 4 | 111.1 | L220 E221 | L220-R224 WeakPolarHBondContact CA-O 3.4Å; E221-R224 PolarHBondContact N-O 3.22Å; E221-R224 WeakPolarHBondContact O-CB 3.47Å; E221-R224 PolarHBondContact O-N 3.43Å |
| 225 | L | 95.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 116.7 | 170.1 | 178 | 65 | 0 | 0 | 0 | 109.4 | I204 I218 Q219 L220 S253 F254 L256 V262 I274 | I204-L225 HydrophobicContact CD1-CD2 4.07Å; I218-L225 HydrophobicContact CG2-CD1 3.67Å; Q219-L225 CarbonylContact O-C 3.21Å; Q219-L225 WeakPolarHBondContact O-CA 3.26Å; L220-L225 HydrophobicContact CB-CD1 4.41Å; L220-L225 HydrophobicContact CD1-CB 4.05Å; L225-S253 CarbonylContact O-C 3.59Å; L225-S253 VanDerWaalsContact O-CA 3.28Å; L225-S253 WeakPolarHBondContact O-CA 3.36Å; L225-F254 HydrophobicContact CB-CB 4.31Å; L225-F254 HydrophobicContact CD2-CD2 4.41Å; L225-F254 PolarHBondContact N-O 2.77Å; L225-F254 PolarHBondContact O-N 3.2Å; L225-L256 HydrophobicContact CB-CD1 4.18Å; L225-L256 HydrophobicContact CB-CD2 4.43Å; L225-L256 HydrophobicContact CB-CG 4.17Å; L225-L256 HydrophobicContact CD2-CD2 4.46Å; L225-V262 HydrophobicContact CD1-CG2 4.12Å; L225-V262 HydrophobicContact CD2-CG2 4.49Å; L225-I274 HydrophobicContact CD2-CD1 4.27Å; L225-I274 HydrophobicContact CD2-CG2 4.16Å |
| 226 | S | 95.2 | Very high | 91.9 | Very high | 13 Ų | 13 | 75.6 Ų | 75.6 | 9% | 0.091 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 133.9 | 174.8 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | I218 Q219 L252 | I218-S226 WeakPolarHBondContact CA-O 3.27Å; Q219-S226 PolarHBondContact N-O 2.97Å; Q219-S226 PolarHBondContact O-N 3.3Å; S226-L252 CarbonylContact C-O 3.4Å; S226-L252 WeakPolarHBondContact CA-O 3.37Å |
| 227 | V | 97.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 83.8 Ų | 83.8 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 118.4 | 171.3 | -174.1 | 0 | 0 | 0 | 0 | 107.8 | L206 E217 I218 F250 L252 F254 L272 I274 | L206-V227 HydrophobicContact CD2-CG1 4.26Å; E217-V227 CarbonylContact O-C 3.57Å; E217-V227 WeakPolarHBondContact O-CA 3.46Å; I218-V227 HydrophobicContact CG1-CG1 4.46Å; V227-F250 HydrophobicContact CG1-CE2 4.09Å; V227-F250 HydrophobicContact CG1-CZ 4.34Å; V227-L252 PolarHBondContact N-O 3.34Å; V227-L252 PolarHBondContact O-N 3.32Å; V227-F254 HydrophobicContact CG2-CE2 4.27Å; V227-L272 HydrophobicContact CG1-CD2 3.79Å; V227-I274 HydrophobicContact CG2-CD1 3.59Å |
| 228 | K | 96.7 | Very high | 90.7 | Very high | 73 Ų | 73 | 82.7 Ų | 82.7 | 32% | 0.317 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 149.2 | 178 | -63.4 | 170.3 | -173 | 157.2 | 0 | 109.2 | L216 E217 F250 | L216-K228 WeakPolarHBondContact CA-O 3.19Å; E217-K228 HydrophobicContact CB-CB 4.35Å; E217-K228 PolarHBondContact N-O 2.89Å; E217-K228 PolarHBondContact O-N 3.5Å; K228-F250 WeakPolarHBondContact CA-O 3.36Å |
| 229 | G | 96.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 83.9 Ų | 83.9 | 1% | 0.01 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 136 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | D215 P249 F250 | D215-G229 CarbonylContact O-C 3.58Å; D215-G229 VanDerWaalsContact O-CA 3.28Å; D215-G229 WeakPolarHBondContact O-CA 3.31Å; G229-P249 CarbonylContact O-C 3.57Å; G229-P249 WeakPolarHBondContact O-CA 3.26Å; G229-F250 PolarHBondContact N-O 2.83Å; G229-F250 PolarHBondContact O-N 3.26Å |
| 230 | T | 94.7 | Very high | 90 | Very high | 89 Ų | 89 | 85.3 Ų | 85.3 | 55% | 0.546 | 42% | 0.423 | S | S | . | . | trans | -128.8 | 100 | 173.8 | -55.2 | 0 | 0 | 0 | 0 | 108.4 | D215 P249 | D215-T230 WeakPolarHBondContact CB-O 3.36Å; D215-T230 PolarHBondContact O-N 2.93Å; T230-P249 HydrophobicContact CG2-CG 4.32Å | ||
| 231 | P | 90.5 | Very high | 89.8 | Confident | 6 Ų | 6 | 85 Ų | 85 | 4% | 0.039 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 147.6 | -175.8 | 29.1 | -32.2 | 0 | 0 | 0 | 110.5 | F211 Q233 N247 | F211-P231 HydrophobicContact CD1-CB 4.29Å; F211-P231 HydrophobicContact CE1-CB 4.01Å; F211-P231 HydrophobicContact CE1-CG 4.08Å; F211-P231 HydrophobicContact CZ-CB 4.25Å; F211-P231 HydrophobicContact CZ-CG 4.13Å; P231-Q233 PolarHBondContact O-N 2.66Å; P231-N247 WeakPolarHBondContact CB-OD1 3.49Å |
| 232 | E | 86.5 | Confident | 89.6 | Confident | 108 Ų | 108 | 82.1 Ų | 82.1 | 51% | 0.505 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -56 | 130 | 173.7 | -169.3 | 179.7 | 177.4 | 0 | 0 | 110.3 | R212 | R212-E232 IonicContact CZ-OE2 3.79Å; R212-E232 IonicContact NE-OE2 3.08Å; R212-E232 IonicContact NH1-OE2 3.99Å; R212-E232 PolarHBondContact NH1-OE2 2.9Å; R212-E232 IonicContact NH2-OE2 3.58Å |
| 233 | Q | 81.2 | Confident | 89.5 | Confident | 134 Ų | 134 | 84.6 Ų | 84.6 | 63% | 0.626 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 133.2 | 176.3 | -66.3 | -63.1 | -48.9 | 0 | 0 | 109.5 | P231 K235 | P231-Q233 PolarHBondContact O-N 2.66Å; Q233-K235 PolarHBondContact O-N 2.89Å |
| 234 | P | 78.9 | Confident | 89.4 | Confident | 74 Ų | 74 | 83.4 Ų | 83.4 | 48% | 0.481 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 138.3 | 175.7 | 27.4 | -33.5 | 0 | 0 | 0 | 109.8 | E236 K238 | P234-E236 PolarHBondContact O-N 3.01Å; P234-K238 HydrophobicContact CB-CG 4.47Å |
| 235 | K | 79.6 | Confident | 89.1 | Confident | 197 Ų | 197 | 77.7 Ų | 77.7 | 86% | 0.857 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -64 | -26.4 | 179 | -67.4 | -178.9 | -179 | 175.5 | 0 | 113 | Q233 | Q233-K235 PolarHBondContact O-N 2.89Š|
| 236 | E | 82.7 | Confident | 88.5 | Confident | 163 Ų | 163 | 82.8 Ų | 82.8 | 76% | 0.762 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -127.5 | 147.4 | -177.4 | -65.9 | 179.2 | -174.1 | 0 | 0 | 109.7 | P234 K238 | P234-E236 PolarHBondContact O-N 3.01Å; E236-K238 PolarHBondContact O-N 2.8Å |
| 237 | E | 83.6 | Confident | 87.9 | Confident | 200 Ų | 200 | 85.8 Ų | 85.8 | 94% | 0.935 | 42% | 0.419 | S | S | * | . | trans | -67.6 | 121.1 | 176.5 | -172.1 | 176.8 | -174.7 | 0 | 0 | 109.8 | ||||
| 238 | K | 86.4 | Confident | 87.5 | Confident | 66 Ų | 66 | 90.8 Ų | 90.8 | 29% | 0.287 | 44% | 0.443 | S | S | . | . | trans | -82.7 | 131.5 | 179.6 | -65.6 | -172.3 | 164.4 | -141.1 | 0 | 110.7 | E40 P234 E236 W240 | E40-K238 WeakPolarHBondContact OE1-CD 3.15Å; E40-K238 WeakPolarHBondContact OE1-CE 3.33Å; E40-K238 WeakPolarHBondContact OE1-CG 3.28Å; E40-K238 IonicContact OE1-NZ 2.67Å; E40-K238 PolarHBondContact OE1-NZ 2.82Å; E40-K238 IonicContact OE2-NZ 3.18Å; E40-K238 PolarHBondContact OE2-NZ 2.82Å; P234-K238 HydrophobicContact CB-CG 4.47Å; E236-K238 PolarHBondContact O-N 2.8Å; K238-W240 HydrophobicContact CB-CZ2 3.95Å; K238-W240 HydrophobicContact CD-CH2 3.82Å; K238-W240 HydrophobicContact CD-CZ2 3.54Å; K238-W240 HydrophobicContact CG-CZ2 4.4Å; K238-W240 PolarHBondContact O-N 2.81Å | ||
| 239 | K | 89.9 | Confident | 87.5 | Confident | 90 Ų | 90 | 91 Ų | 91 | 39% | 0.391 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 105.6 | 173.3 | -175.3 | 164.5 | 168 | -165.4 | 0 | 110.1 | Y10 L41 | Y10-K239 PolarHBondContact OH-NZ 3.23Å; L41-K239 HydrophobicContact CB-CB 4.31Å; L41-K239 HydrophobicContact CB-CG 4.24Å; L41-K239 HydrophobicContact CD2-CD 3.8Å; L41-K239 HydrophobicContact CD2-CG 4.32Å; L41-K239 PolarHBondContact N-O 3.33Å |
| 240 | W | 89.5 | Confident | 87.4 | Confident | 90 Ų | 90 | 91.9 Ų | 91.9 | 34% | 0.341 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 137.3 | 179.2 | -58.2 | 105.4 | 0 | 0 | 0 | 111.6 | N38 E40 K238 Q243 | N38-W240 HydrophobicContact CB-CE3 3.7Å; N38-W240 HydrophobicContact CB-CH2 4.13Å; N38-W240 HydrophobicContact CB-CZ3 3.3Å; N38-W240 VanDerWaalsContact ND2-CH2 3.29Å; N38-W240 WeakPolarHBondContact ND2-CH2 3.28Å; N38-W240 VanDerWaalsContact ND2-CZ3 3.29Å; N38-W240 WeakPolarHBondContact ND2-CZ3 3Å; E40-W240 HydrophobicContact CB-CE3 4.06Å; E40-W240 HydrophobicContact CB-CZ3 3.84Å; E40-W240 HydrophobicContact CG-CZ3 4.45Å; K238-W240 HydrophobicContact CB-CZ2 3.95Å; K238-W240 HydrophobicContact CD-CH2 3.82Å; K238-W240 HydrophobicContact CD-CZ2 3.54Å; K238-W240 HydrophobicContact CG-CZ2 4.4Å; K238-W240 PolarHBondContact O-N 2.81Å; W240-Q243 HydrophobicContact CB-CB 4.47Å; W240-Q243 HydrophobicContact CG-CB 4.46Å |
| 241 | L | 90.4 | Very high | 87.4 | Confident | 71 Ų | 71 | 91.1 Ų | 91.1 | 37% | 0.372 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -30 | 167.8 | -62.7 | 151.5 | 0 | 0 | 0 | 109.9 | I14 V39 L41 Y47 | I14-L241 HydrophobicContact CD1-CB 4.33Å; I14-L241 HydrophobicContact CD1-CD1 3.1Å; I14-L241 HydrophobicContact CD1-CD2 4.19Å; I14-L241 HydrophobicContact CD1-CG 4.04Å; I14-L241 HydrophobicContact CG1-CD1 4.28Å; V39-L241 HydrophobicContact CB-CB 4.31Å; V39-L241 HydrophobicContact CG1-CB 4.28Å; V39-L241 HydrophobicContact CG1-CD1 4.05Å; V39-L241 PolarHBondContact O-N 2.78Å; L41-L241 HydrophobicContact CB-CD1 3.64Å; L41-L241 HydrophobicContact CB-CD2 4.43Å; L41-L241 HydrophobicContact CB-CG 4Å; L41-L241 HydrophobicContact CD1-CD1 4.38Å; Y47-L241 HydrophobicContact CD1-CD1 3.75Å; Y47-L241 HydrophobicContact CE1-CD1 4.11Å |
| 242 | H | 89 | Confident | 87.6 | Confident | 77 Ų | 77 | 92.3 Ų | 92.3 | 36% | 0.356 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 139.3 | 170.7 | 177.2 | 74.3 | 0 | 0 | 0 | 109.5 | Y37 N38 V39 | Y37-H242 AromaticContact CD2-CD2 3.73Å; Y37-H242 AromaticContact CE2-CD2 3.32Å; Y37-H242 WeakPolarHBondContact CE2-CD2 3.36Å; Y37-H242 AromaticContact CE2-NE2 3.85Å; Y37-H242 AromaticContact CZ-CD2 3.75Å; Y37-H242 AromaticContact CZ-NE2 3.78Å; Y37-H242 PolarHBondContact O-CD2 3.02Å; N38-H242 CarbonylContact C-O 3.58Å; N38-H242 VanDerWaalsContact CA-O 3.32Å; N38-H242 WeakPolarHBondContact CA-O 3.34Å; V39-H242 HydrophobicContact CB-CB 4.1Å; V39-H242 HydrophobicContact CG2-CB 4.08Å; V39-H242 PolarHBondContact N-O 3.38Å; V39-H242 PolarHBondContact O-N 3.12Å |
| 243 | Q | 88.6 | Confident | 88 | Confident | 125 Ų | 125 | 89.4 Ų | 89.4 | 58% | 0.584 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 109.4 | 177.2 | -173.1 | 178.3 | 2.3 | 0 | 0 | 110.3 | N38 W240 | N38-Q243 VanDerWaalsContact OD1-CA 3.29Å; N38-Q243 WeakPolarHBondContact OD1-CA 3.34Å; W240-Q243 HydrophobicContact CB-CB 4.47Å; W240-Q243 HydrophobicContact CG-CB 4.46Å |
| 244 | G | 89.3 | Confident | 88.6 | Confident | 34 Ų | 34 | 83.5 Ų | 83.5 | 35% | 0.351 | 42% | 0.423 | S | S | . | . | trans | -120.6 | -14.1 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y37 N38 | Y37-G244 WeakPolarHBondContact O-CA 3.46Å; Y37-G244 PolarHBondContact O-N 2.87Å; N38-G244 PolarHBondContact OD1-N 2.65Å | ||
| 245 | L | 88.8 | Confident | 89.3 | Confident | 20 Ų | 20 | 83.7 Ų | 83.7 | 11% | 0.105 | 42% | 0.423 | C | S | . | . | trans | -79.8 | 131.7 | 175.9 | -62.7 | 177.2 | 0 | 0 | 0 | 111.3 | P36 N38 A50 A52 L116 | P36-L245 HydrophobicContact CB-CD2 3.98Å; P36-L245 HydrophobicContact CG-CD2 3.94Å; P36-L245 VanDerWaalsContact O-CD2 3.25Å; P36-L245 WeakPolarHBondContact O-CD2 3.41Å; N38-L245 HydrophobicContact CB-CD1 4.31Å; N38-L245 WeakPolarHBondContact OD1-CB 3.32Å; N38-L245 WeakPolarHBondContact OD1-CG 3.42Å; N38-L245 PolarHBondContact OD1-N 3.33Å; A50-L245 HydrophobicContact CB-CD1 4.1Å; A52-L245 HydrophobicContact CB-CD2 3.38Å; L116-L245 HydrophobicContact CD2-CD1 3.67Å; L116-L245 HydrophobicContact CD2-CD2 4.47Å | ||
| 246 | M | 83.8 | Confident | 89.9 | Confident | 108 Ų | 108 | 75 Ų | 75 | 53% | 0.532 | 39% | 0.386 | S | S | . | . | trans | -90.7 | 104.2 | 168.4 | -61.5 | -176.1 | -173.7 | 0 | 0 | 108.3 | F189 | F189-M246 HydrophobicContact CB-SD 3.87Å; F189-M246 HydrophobicContact CD1-CB 4.46Å; F189-M246 HydrophobicContact CD2-CB 3.53Å; F189-M246 HydrophobicContact CD2-CG 4.38Å; F189-M246 HydrophobicContact CD2-SD 4.11Å; F189-M246 HydrophobicContact CE2-CB 3.68Å; F189-M246 WeakPolarHBondContact CE2-O 3.46Å; F189-M246 HydrophobicContact CG-CB 3.96Å; F189-M246 HydrophobicContact CG-SD 4.14Å; F189-M246 HydrophobicContact CZ-CB 4.21Å; F189-M246 WeakPolarHBondContact CZ-O 3.21Å | ||
| 247 | N | 83.3 | Confident | 90.2 | Very high | 76 Ų | 76 | 68.8 Ų | 68.8 | 41% | 0.406 | 36% | 0.362 | S | S | . | . | trans | -123.8 | 64.1 | 175.5 | -168.6 | 36.1 | 0 | 0 | 0 | 109.8 | F211 P231 | F211-N247 WeakPolarHBondContact CE2-OD1 3.43Å; P231-N247 WeakPolarHBondContact CB-OD1 3.49Å | ||
| 248 | Q | 88.9 | Confident | 90.5 | Very high | 105 Ų | 105 | 68.1 Ų | 68.1 | 49% | 0.491 | 36% | 0.359 | S | S | . | . | trans | -117.8 | 155.5 | -176.3 | 62.1 | -173.8 | -19.8 | 0 | 0 | 110.3 | F189 F250 | F189-Q248 HydrophobicContact CD1-CG 4.18Å; F189-Q248 HydrophobicContact CE1-CG 4.19Å; Q248-F250 PolarHBondContact O-N 3.39Å | ||
| 249 | P | 94.8 | Very high | 90.6 | Very high | 77 Ų | 77 | 66.9 Ų | 66.9 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | trans | -53.9 | 142.8 | 172.3 | -22.8 | 32.2 | 0 | 0 | 0 | 111.5 | G229 T230 | G229-P249 CarbonylContact O-C 3.57Å; G229-P249 WeakPolarHBondContact O-CA 3.26Å; T230-P249 HydrophobicContact CG2-CG 4.32Å | ||
| 250 | F | 95.3 | Very high | 90.7 | Very high | 20 Ų | 20 | 63.4 Ų | 63.4 | 9% | 0.088 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 161.1 | 179 | 75.2 | -90.7 | 0 | 0 | 0 | 111.6 | F189 P190 L208 F211 L216 V227 K228 G229 Q248 L252 | F189-F250 HydrophobicContact CD1-CB 4.3Å; F189-F250 HydrophobicContact CE1-CB 4.29Å; F189-F250 HydrophobicContact CE1-CD1 4.18Å; P190-F250 VanDerWaalsContact CD-CD2 3.45Å; P190-F250 HydrophobicContact CG-CD1 4.38Å; P190-F250 HydrophobicContact CG-CD2 3.82Å; P190-F250 HydrophobicContact CG-CE1 4.33Å; P190-F250 HydrophobicContact CG-CE2 3.79Å; P190-F250 HydrophobicContact CG-CG 4.14Å; P190-F250 HydrophobicContact CG-CZ 4.06Å; L208-F250 HydrophobicContact CD1-CZ 4.13Å; L208-F250 HydrophobicContact CD2-CD1 4.44Å; L208-F250 HydrophobicContact CD2-CE1 3.49Å; L208-F250 VanDerWaalsContact CD2-CE1 3.49Å; L208-F250 HydrophobicContact CD2-CE2 4.33Å; L208-F250 HydrophobicContact CD2-CZ 3.43Å; L208-F250 VanDerWaalsContact CD2-CZ 3.43Å; L208-F250 HydrophobicContact CG-CZ 4.45Å; F211-F250 HydrophobicContact CD1-CE1 4.11Å; F211-F250 AromaticContact CE1-CD1 3.8Å; F211-F250 HydrophobicContact CE1-CD1 3.8Å; F211-F250 AromaticContact CE1-CE1 3.58Å; F211-F250 HydrophobicContact CE1-CE1 3.58Å; F211-F250 HydrophobicContact CE2-CE1 4.36Å; F211-F250 AromaticContact CZ-CD1 3.69Å; F211-F250 HydrophobicContact CZ-CD1 3.69Å; F211-F250 AromaticContact CZ-CE1 3.74Å; F211-F250 HydrophobicContact CZ-CE1 3.74Å; L216-F250 HydrophobicContact CD2-CE1 4.29Å; L216-F250 HydrophobicContact CD2-CZ 4.22Å; V227-F250 HydrophobicContact CG1-CE2 4.09Å; V227-F250 HydrophobicContact CG1-CZ 4.34Å; K228-F250 WeakPolarHBondContact CA-O 3.36Å; G229-F250 PolarHBondContact N-O 2.83Å; G229-F250 PolarHBondContact O-N 3.26Å; Q248-F250 PolarHBondContact O-N 3.39Å; F250-L252 HydrophobicContact CD2-CG 4.16Å |
| 251 | S | 95.1 | Very high | 90.9 | Very high | 73 Ų | 73 | 64.5 Ų | 64.5 | 51% | 0.51 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 115.7 | 170.6 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | ||
| 252 | L | 95.1 | Very high | 91.2 | Very high | 30 Ų | 30 | 63.6 Ų | 63.6 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 144.1 | 172.8 | -70.2 | 178.5 | 0 | 0 | 0 | 109.9 | P190 Y192 L206 S226 V227 F250 F254 | P190-L252 HydrophobicContact CG-CD1 3.59Å; P190-L252 HydrophobicContact CG-CG 4.45Å; Y192-L252 HydrophobicContact CD1-CD1 4.26Å; L206-L252 HydrophobicContact CD2-CD1 3.61Å; S226-L252 CarbonylContact C-O 3.4Å; S226-L252 WeakPolarHBondContact CA-O 3.37Å; V227-L252 PolarHBondContact N-O 3.34Å; V227-L252 PolarHBondContact O-N 3.32Å; F250-L252 HydrophobicContact CD2-CG 4.16Å; L252-F254 HydrophobicContact CB-CE2 4.11Å; L252-F254 HydrophobicContact CB-CZ 4.41Å; L252-F254 HydrophobicContact CD1-CZ 4.46Å |
| 253 | S | 93.2 | Very high | 91.5 | Very high | 47 Ų | 47 | 63.2 Ų | 63.2 | 33% | 0.329 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 140.4 | 173.2 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | L225 | L225-S253 CarbonylContact O-C 3.59Å; L225-S253 VanDerWaalsContact O-CA 3.28Å; L225-S253 WeakPolarHBondContact O-CA 3.36Å |
| 254 | F | 94.3 | Very high | 91.9 | Very high | 11 Ų | 11 | 58.7 Ų | 58.7 | 5% | 0.048 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 141.1 | 175.5 | -53.8 | -91 | 0 | 0 | 0 | 108.7 | Y192 I204 L225 V227 L252 | Y192-F254 AromaticContact CD2-CE1 3.91Å; Y192-F254 HydrophobicContact CD2-CE1 3.91Å; Y192-F254 HydrophobicContact CD2-CZ 4.24Å; Y192-F254 AromaticContact CE2-CE1 3.74Å; Y192-F254 HydrophobicContact CE2-CE1 3.74Å; Y192-F254 HydrophobicContact CE2-CZ 4.43Å; Y192-F254 HydrophobicContact CG-CE1 4.45Å; Y192-F254 HydrophobicContact CG-CZ 4.37Å; I204-F254 HydrophobicContact CD1-CB 4.32Å; I204-F254 HydrophobicContact CD1-CD1 3.98Å; I204-F254 HydrophobicContact CD1-CD2 4.19Å; I204-F254 HydrophobicContact CD1-CE1 4.34Å; I204-F254 HydrophobicContact CD1-CG 3.9Å; I204-F254 HydrophobicContact CG2-CE1 4.13Å; I204-F254 HydrophobicContact CG2-CE2 4.29Å; I204-F254 HydrophobicContact CG2-CZ 3.86Å; L225-F254 HydrophobicContact CB-CB 4.31Å; L225-F254 HydrophobicContact CD2-CD2 4.41Å; L225-F254 PolarHBondContact N-O 2.77Å; L225-F254 PolarHBondContact O-N 3.2Å; V227-F254 HydrophobicContact CG2-CE2 4.27Å; L252-F254 HydrophobicContact CB-CE2 4.11Å; L252-F254 HydrophobicContact CB-CZ 4.41Å; L252-F254 HydrophobicContact CD1-CZ 4.46Å |
| 255 | T | 93.2 | Very high | 92.3 | Very high | 78 Ų | 78 | 59.5 Ų | 59.5 | 48% | 0.479 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 114.9 | 173 | -53.1 | 0 | 0 | 0 | 0 | 108.2 | ||
| 256 | L | 92.9 | Very high | 92.7 | Very high | 15 Ų | 15 | 61.8 Ų | 61.8 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | trans | -85.4 | 156.8 | 176.8 | -53.3 | -172.3 | 0 | 0 | 0 | 110.3 | L220 T223 L225 M260 V262 L276 | L220-L256 HydrophobicContact CD1-CD1 3.85Å; L220-L256 HydrophobicContact CD2-CD1 4.45Å; T223-L256 WeakPolarHBondContact CB-O 3.07Å; T223-L256 PolarHBondContact O-N 3.08Å; L225-L256 HydrophobicContact CB-CD1 4.18Å; L225-L256 HydrophobicContact CB-CD2 4.43Å; L225-L256 HydrophobicContact CB-CG 4.17Å; L225-L256 HydrophobicContact CD2-CD2 4.46Å; L256-M260 HydrophobicContact CB-CB 4.22Å; L256-V262 HydrophobicContact CD1-CG2 4.3Å; L256-L276 HydrophobicContact CD1-CD2 4.14Å; L256-L276 HydrophobicContact CD2-CD1 3.85Å; L256-L276 HydrophobicContact CD2-CD2 4.46Å | ||
| 257 | A | 89.8 | Confident | 93.4 | Very high | 31 Ų | 31 | 58.2 Ų | 58.2 | 26% | 0.256 | 34% | 0.339 | S | S | . | . | trans | -70.6 | 154.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110 | N259 M260 | A257-N259 WeakPolarHBondContact CB-OD1 3.4Å; A257-N259 PolarHBondContact O-N 3.36Å; A257-N259 VanDerWaalsContact O-N 3.09Å; A257-M260 HydrophobicContact CB-CB 4.49Å; A257-M260 HydrophobicContact CB-CG 4.05Å; A257-M260 HydrophobicContact CB-SD 4.04Å; A257-M260 WeakPolarHBondContact O-CB 3.42Å; A257-M260 PolarHBondContact O-N 2.93Å | ||
| 258 | E | 88.4 | Confident | 94 | Very high | 187 Ų | 187 | 58.4 Ų | 58.4 | 87% | 0.874 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -26.3 | 179.2 | -65.7 | -177.4 | 174.6 | 0 | 0 | 113.3 | T223 | T223-E258 HydrophobicContact CG2-CG 4.17Š|
| 259 | N | 89 | Confident | 94.3 | Very high | 40 Ų | 40 | 56.6 Ų | 56.6 | 21% | 0.214 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 14.1 | -179.8 | 80.4 | -40.7 | 0 | 0 | 0 | 113.3 | A257 R278 N279 | A257-N259 WeakPolarHBondContact CB-OD1 3.4Å; A257-N259 PolarHBondContact O-N 3.36Å; A257-N259 VanDerWaalsContact O-N 3.09Å; N259-R278 VanDerWaalsContact ND2-CG 3.28Å; N259-R278 WeakPolarHBondContact ND2-CG 3.46Å; N259-R278 PolarHBondContact ND2-NE 2.89Å; N259-R278 CarbonylContact O-C 3.55Å; N259-R278 WeakPolarHBondContact O-CA 3.37Å; N259-N279 VanDerWaalsContact CB-O 3.3Å; N259-N279 WeakPolarHBondContact CB-O 3.05Å; N259-N279 PolarHBondContact ND2-O 3.39Å; N259-N279 PolarHBondContact O-N 2.65Å |
| 260 | M | 92.7 | Very high | 94.3 | Very high | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 138.8 | 174.6 | -75.7 | 178.5 | 170 | 0 | 0 | 110.8 | I171 Y202 L256 A257 I277 R278 | I171-M260 HydrophobicContact CD1-CE 4.23Å; I171-M260 HydrophobicContact CD1-SD 4.36Å; Y202-M260 HydrophobicContact CD2-CE 3.97Å; Y202-M260 HydrophobicContact CE1-CE 4.44Å; Y202-M260 HydrophobicContact CE2-CE 3.65Å; L256-M260 HydrophobicContact CB-CB 4.22Å; A257-M260 HydrophobicContact CB-CB 4.49Å; A257-M260 HydrophobicContact CB-CG 4.05Å; A257-M260 HydrophobicContact CB-SD 4.04Å; A257-M260 WeakPolarHBondContact O-CB 3.42Å; A257-M260 PolarHBondContact O-N 2.93Å; M260-I277 CarbonylContact C-O 3.56Å; M260-I277 VanDerWaalsContact CA-O 3.31Å; M260-I277 WeakPolarHBondContact CA-O 3.49Å; M260-R278 HydrophobicContact CE-CB 4.32Å; M260-R278 HydrophobicContact CE-CG 4.36Å; M260-R278 HydrophobicContact CG-CB 4.05Å; M260-R278 HydrophobicContact CG-CG 4.13Å |
| 261 | E | 93.1 | Very high | 94.4 | Very high | 114 Ų | 114 | 52.9 Ų | 52.9 | 53% | 0.533 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 148.2 | -179.8 | -67.8 | 173.4 | -164.8 | 0 | 0 | 110.3 | S263 L276 I277 N279 | E261-S263 PolarHBondContact O-N 3Å; E261-L276 CarbonylContact O-C 3.57Å; E261-L276 VanDerWaalsContact O-CA 3.28Å; E261-L276 WeakPolarHBondContact O-CA 3.41Å; E261-I277 PolarHBondContact N-O 3.08Å; E261-I277 PolarHBondContact O-N 3.42Å; E261-N279 PolarHBondContact OE1-ND2 3.4Å; E261-N279 VanDerWaalsContact OE1-ND2 3.09Å; E261-N279 PolarHBondContact OE2-ND2 2.91Å |
| 262 | V | 96.1 | Very high | 94.5 | Very high | 51 Ų | 51 | 49.6 Ų | 49.6 | 31% | 0.309 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 117.2 | 171.9 | 177.9 | 0 | 0 | 0 | 0 | 108.2 | L220 L225 L256 I274 D275 L276 | L220-V262 HydrophobicContact CD2-CG2 4.04Å; L225-V262 HydrophobicContact CD1-CG2 4.12Å; L225-V262 HydrophobicContact CD2-CG2 4.49Å; L256-V262 HydrophobicContact CD1-CG2 4.3Å; V262-I274 HydrophobicContact CG1-CG2 3.87Å; V262-I274 HydrophobicContact CG2-CG2 4.34Å; V262-D275 WeakPolarHBondContact CA-O 3.45Å; V262-L276 HydrophobicContact CB-CD2 4.25Å; V262-L276 HydrophobicContact CG2-CD2 3.57Å |
| 263 | S | 95.5 | Very high | 94.7 | Very high | 70 Ų | 70 | 49.8 Ų | 49.8 | 49% | 0.49 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -26.5 | 178 | 61.5 | 0 | 0 | 0 | 0 | 112.7 | E261 D275 | E261-S263 PolarHBondContact O-N 3Å; S263-D275 PolarHBondContact N-O 3.09Å; S263-D275 WeakPolarHBondContact OG-CB 2.89Å; S263-D275 PolarHBondContact OG-O 3.41Å |
| 264 | G | 96.8 | Very high | 94.9 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.5 | 171 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D275 | G264-D275 PolarHBondContact O-N 2.79Å |
| 265 | A | 97.9 | Very high | 95.1 | Very high | 51 Ų | 51 | 48.9 Ų | 48.9 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 140 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | I218 L272 H273 I274 | I218-A265 HydrophobicContact CD1-CB 3.76Å; A265-L272 HydrophobicContact CB-CD1 4.41Å; A265-H273 CarbonylContact C-O 3.6Å; A265-H273 WeakPolarHBondContact CA-O 3.33Å; A265-I274 HydrophobicContact CB-CG1 4.33Å |
| 266 | T | 97.8 | Very high | 95.3 | Very high | 69 Ų | 69 | 45.6 Ų | 45.6 | 42% | 0.423 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 145.4 | 177 | 59.2 | 0 | 0 | 0 | 0 | 110.1 | L272 H273 | T266-L272 CarbonylContact O-C 3.57Å; T266-L272 WeakPolarHBondContact O-CA 3.2Å; T266-L272 WeakPolarHBondContact O-CD1 3.3Å; T266-H273 PolarHBondContact N-O 2.87Å; T266-H273 PolarHBondContact O-N 2.91Å |
| 267 | F | 97.5 | Very high | 95.4 | Very high | 33 Ų | 33 | 47.3 Ų | 47.3 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 109.8 | 178.1 | -172.1 | -117.5 | 0 | 0 | 0 | 109.9 | L208 F211 Q213 L216 L271 L272 | L208-F267 HydrophobicContact CB-CE2 4.01Å; L208-F267 HydrophobicContact CB-CZ 4.35Å; L208-F267 HydrophobicContact CD1-CE2 4.24Å; F211-F267 HydrophobicContact CB-CZ 4.46Å; F211-F267 VanDerWaalsContact O-CE1 3.27Å; F211-F267 WeakPolarHBondContact O-CE1 3.31Å; F211-F267 WeakPolarHBondContact O-CZ 3.37Å; Q213-F267 HydrophobicContact CB-CD1 4Å; L216-F267 HydrophobicContact CD1-CD2 3.96Å; L216-F267 HydrophobicContact CD1-CE2 3.95Å; L216-F267 HydrophobicContact CD1-CG 4.27Å; L216-F267 HydrophobicContact CD1-CZ 4.22Å; F267-L271 WeakPolarHBondContact CA-O 3.49Å; F267-L271 VanDerWaalsContact CD2-O 3.28Å; F267-L271 WeakPolarHBondContact CD2-O 3.43Å; F267-L272 HydrophobicContact CB-CD1 4.35Å; F267-L272 HydrophobicContact CD2-CB 3.82Å; F267-L272 HydrophobicContact CD2-CD1 4.46Å; F267-L272 HydrophobicContact CE2-CB 4.33Å |
| 268 | V | 95.8 | Very high | 95.5 | Very high | 80 Ų | 80 | 48.8 Ų | 48.8 | 49% | 0.485 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 134.1 | -172.8 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | G270 L271 | V268-G270 PolarHBondContact O-N 3.43Å; V268-G270 VanDerWaalsContact O-N 3.09Å; V268-L271 PolarHBondContact N-O 3.49Å; V268-L271 PolarHBondContact O-N 2.87Å |
| 269 | N | 95.4 | Very high | 95.5 | Very high | 66 Ų | 66 | 43.2 Ų | 43.2 | 35% | 0.353 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 36.1 | 177.7 | -59.3 | -18.2 | 0 | 0 | 0 | 113.9 | A54 G55 G115 L271 | A54-N269 CarbonylContact C-O 3.43Å; A54-N269 VanDerWaalsContact CA-O 3.26Å; A54-N269 WeakPolarHBondContact CA-O 3.28Å; G55-N269 PolarHBondContact N-O 2.97Å; G115-N269 WeakPolarHBondContact CA-O 3.28Å; N269-L271 VanDerWaalsContact C-N 3.26Å; N269-L271 PolarHBondContact O-N 3.09Å |
| 270 | G | 95.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 7.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L208 V268 | L208-G270 CarbonylContact C-O 3.48Å; L208-G270 WeakPolarHBondContact CA-O 3.47Å; L208-G270 PolarHBondContact N-O 2.74Å; V268-G270 PolarHBondContact O-N 3.43Å; V268-G270 VanDerWaalsContact O-N 3.09Å |
| 271 | L | 96.9 | Very high | 93.4 | Very high | 18 Ų | 18 | 51.4 Ų | 51.4 | 9% | 0.094 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 130.2 | 169.4 | -63.6 | -175.3 | 0 | 0 | 0 | 110.5 | A54 G55 I90 T205 L206 A207 F267 V268 N269 | A54-L271 HydrophobicContact CB-CD2 3.89Å; A54-L271 HydrophobicContact CB-CG 4.44Å; G55-L271 VanDerWaalsContact CA-CD1 3.42Å; I90-L271 HydrophobicContact CD1-CD2 4.39Å; T205-L271 HydrophobicContact CG2-CB 4.26Å; T205-L271 HydrophobicContact CG2-CD1 4.14Å; T205-L271 HydrophobicContact CG2-CD2 4.24Å; T205-L271 HydrophobicContact CG2-CG 4.46Å; L206-L271 WeakPolarHBondContact O-CA 3.25Å; A207-L271 HydrophobicContact CB-CD2 3.75Å; F267-L271 WeakPolarHBondContact CA-O 3.49Å; F267-L271 VanDerWaalsContact CD2-O 3.28Å; F267-L271 WeakPolarHBondContact CD2-O 3.43Å; V268-L271 PolarHBondContact N-O 3.49Å; V268-L271 PolarHBondContact O-N 2.87Å; N269-L271 VanDerWaalsContact C-N 3.26Å; N269-L271 PolarHBondContact O-N 3.09Å |
| 272 | L | 98.2 | Very high | 92 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 116.8 | 167.3 | 175.8 | 62 | 0 | 0 | 0 | 109.1 | T205 L206 L208 L216 I218 V227 A265 T266 F267 I274 | T205-L272 CarbonylContact C-O 3.39Å; T205-L272 VanDerWaalsContact CA-O 3.26Å; T205-L272 WeakPolarHBondContact CA-O 3.47Å; L206-L272 HydrophobicContact CB-CB 4.37Å; L206-L272 HydrophobicContact CD1-CB 4.44Å; L206-L272 HydrophobicContact CD1-CD2 4.15Å; L206-L272 HydrophobicContact CD1-CG 4.33Å; L206-L272 PolarHBondContact N-O 2.89Å; L206-L272 PolarHBondContact O-N 2.78Å; L208-L272 HydrophobicContact CD1-CB 3.76Å; L208-L272 HydrophobicContact CD1-CD2 4.1Å; L216-L272 HydrophobicContact CD1-CD2 4.44Å; I218-L272 HydrophobicContact CD1-CD1 3.97Å; I218-L272 HydrophobicContact CD1-CD2 3.89Å; I218-L272 HydrophobicContact CD1-CG 4.45Å; I218-L272 HydrophobicContact CG1-CD2 4.34Å; V227-L272 HydrophobicContact CG1-CD2 3.79Å; A265-L272 HydrophobicContact CB-CD1 4.41Å; T266-L272 CarbonylContact O-C 3.57Å; T266-L272 WeakPolarHBondContact O-CA 3.2Å; T266-L272 WeakPolarHBondContact O-CD1 3.3Å; F267-L272 HydrophobicContact CB-CD1 4.35Å; F267-L272 HydrophobicContact CD2-CB 3.82Å; F267-L272 HydrophobicContact CD2-CD1 4.46Å; F267-L272 HydrophobicContact CE2-CB 4.33Å; L272-I274 HydrophobicContact CD2-CD1 4.24Å; L272-I274 HydrophobicContact CD2-CG1 4.38Å; L272-I274 HydrophobicContact CG-CG1 4.15Å |
| 273 | H | 98.1 | Very high | 90.3 | Very high | 34 Ų | 34 | 58 Ų | 58 | 16% | 0.157 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 127.1 | 172 | -53.9 | -67.2 | 0 | 0 | 0 | 109.4 | R203 I204 T205 A265 T266 | R203-H273 HydrophobicContact CG-CB 4.36Å; I204-H273 CarbonylContact O-C 3.55Å; I204-H273 WeakPolarHBondContact O-CA 3.3Å; T205-H273 WeakPolarHBondContact CG2-ND1 3.39Å; T205-H273 PolarHBondContact OG1-ND1 2.8Å; A265-H273 CarbonylContact C-O 3.6Å; A265-H273 WeakPolarHBondContact CA-O 3.33Å; T266-H273 PolarHBondContact N-O 2.87Å; T266-H273 PolarHBondContact O-N 2.91Å |
| 274 | I | 98.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 115.4 | 172.5 | -55 | 175.3 | 0 | 0 | 0 | 107.1 | R203 I204 L206 I218 L225 V227 V262 A265 L272 L276 | R203-I274 WeakPolarHBondContact CA-O 3.28Å; I204-I274 HydrophobicContact CB-CB 4.4Å; I204-I274 PolarHBondContact N-O 2.82Å; I204-I274 PolarHBondContact O-N 2.8Å; L206-I274 HydrophobicContact CD1-CD1 4.24Å; I218-I274 HydrophobicContact CD1-CD1 4.17Å; I218-I274 HydrophobicContact CD1-CG1 4.31Å; I218-I274 HydrophobicContact CG2-CD1 4.28Å; L225-I274 HydrophobicContact CD2-CD1 4.27Å; L225-I274 HydrophobicContact CD2-CG2 4.16Å; V227-I274 HydrophobicContact CG2-CD1 3.59Å; V262-I274 HydrophobicContact CG1-CG2 3.87Å; V262-I274 HydrophobicContact CG2-CG2 4.34Å; A265-I274 HydrophobicContact CB-CG1 4.33Å; L272-I274 HydrophobicContact CD2-CD1 4.24Å; L272-I274 HydrophobicContact CD2-CG1 4.38Å; L272-I274 HydrophobicContact CG-CG1 4.15Å; I274-L276 HydrophobicContact CG2-CD2 4.11Å |
| 275 | D | 98.2 | Very high | 87.2 | Confident | 38 Ų | 38 | 65.1 Ų | 65.1 | 20% | 0.203 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 132.2 | -179.4 | -69.5 | -43.8 | 0 | 0 | 0 | 110.2 | R203 V262 S263 G264 | R203-D275 IonicContact CZ-OD1 2.72Å; R203-D275 IonicContact CZ-OD2 3.7Å; R203-D275 IonicContact NE-OD1 2.78Å; R203-D275 PolarHBondContact NE-OD1 2.75Å; R203-D275 VanDerWaalsContact NH2-CG 3.31Å; R203-D275 IonicContact NH2-OD1 3.88Å; R203-D275 PolarHBondContact NH2-OD1 3.01Å; R203-D275 IonicContact NH2-OD2 4Å; R203-D275 PolarHBondContact NH2-OD2 3.19Å; R203-D275 VanDerWaalsContact NH2-OD2 3.08Å; V262-D275 WeakPolarHBondContact CA-O 3.45Å; S263-D275 PolarHBondContact N-O 3.09Å; S263-D275 WeakPolarHBondContact OG-CB 2.89Å; S263-D275 PolarHBondContact OG-O 3.41Å; G264-D275 PolarHBondContact O-N 2.79Å |
| 276 | L | 96.8 | Very high | 85.9 | Confident | 9 Ų | 9 | 67.5 Ų | 67.5 | 5% | 0.047 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 137.7 | -178.3 | -53.5 | 175.9 | 0 | 0 | 0 | 109.6 | Y202 I204 L256 E261 V262 I274 | Y202-L276 PolarHBondContact N-O 2.73Å; Y202-L276 PolarHBondContact O-N 3.34Å; I204-L276 HydrophobicContact CD1-CD1 3.9Å; I204-L276 HydrophobicContact CG1-CD1 4.03Å; L256-L276 HydrophobicContact CD1-CD2 4.14Å; L256-L276 HydrophobicContact CD2-CD1 3.85Å; L256-L276 HydrophobicContact CD2-CD2 4.46Å; E261-L276 CarbonylContact O-C 3.57Å; E261-L276 VanDerWaalsContact O-CA 3.28Å; E261-L276 WeakPolarHBondContact O-CA 3.41Å; V262-L276 HydrophobicContact CB-CD2 4.25Å; V262-L276 HydrophobicContact CG2-CD2 3.57Å; I274-L276 HydrophobicContact CG2-CD2 4.11Å |
| 277 | I | 95.7 | Very high | 84.6 | Confident | 51 Ų | 51 | 72.5 Ų | 72.5 | 26% | 0.262 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 134.6 | 174.6 | -59.2 | 176.8 | 0 | 0 | 0 | 108.5 | N200 M260 E261 | N200-I277 CarbonylContact O-C 3.47Å; N200-I277 VanDerWaalsContact O-CA 3.3Å; N200-I277 WeakPolarHBondContact O-CA 3.09Å; M260-I277 CarbonylContact C-O 3.56Å; M260-I277 VanDerWaalsContact CA-O 3.31Å; M260-I277 WeakPolarHBondContact CA-O 3.49Å; E261-I277 PolarHBondContact N-O 3.08Å; E261-I277 PolarHBondContact O-N 3.42Å |
| 278 | R | 92.6 | Very high | 83.4 | Confident | 62 Ų | 62 | 82.7 Ų | 82.7 | 23% | 0.234 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 116.8 | 172.5 | -173.2 | -178.2 | -177.4 | -131.4 | -3.6 | 109.1 | N200 Y202 N259 M260 E280 | N200-R278 PolarHBondContact O-N 3.37Å; N200-R278 PolarHBondContact OD1-O 3.16Å; Y202-R278 HydrophobicContact CE2-CB 4.02Å; N259-R278 VanDerWaalsContact ND2-CG 3.28Å; N259-R278 WeakPolarHBondContact ND2-CG 3.46Å; N259-R278 PolarHBondContact ND2-NE 2.89Å; N259-R278 CarbonylContact O-C 3.55Å; N259-R278 WeakPolarHBondContact O-CA 3.37Å; M260-R278 HydrophobicContact CE-CB 4.32Å; M260-R278 HydrophobicContact CE-CG 4.36Å; M260-R278 HydrophobicContact CG-CB 4.05Å; M260-R278 HydrophobicContact CG-CG 4.13Å; R278-E280 IonicContact NH1-OE1 3.59Å |
| 279 | N | 87.4 | Confident | 82.6 | Confident | 70 Ų | 70 | 86.2 Ų | 86.2 | 37% | 0.374 | 46% | 0.456 | S | S | . | . | trans | -87.1 | 113.1 | 174.8 | -65.3 | -32.2 | 0 | 0 | 0 | 108.4 | N259 E261 | N259-N279 VanDerWaalsContact CB-O 3.3Å; N259-N279 WeakPolarHBondContact CB-O 3.05Å; N259-N279 PolarHBondContact ND2-O 3.39Å; N259-N279 PolarHBondContact O-N 2.65Å; E261-N279 PolarHBondContact OE1-ND2 3.4Å; E261-N279 VanDerWaalsContact OE1-ND2 3.09Å; E261-N279 PolarHBondContact OE2-ND2 2.91Å | ||
| 280 | E | 73.9 | Confident | 81.6 | Confident | 122 Ų | 122 | 87 Ų | 87 | 57% | 0.57 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -77.6 | 125.2 | 170 | -62.5 | -165 | 148.7 | 0 | 0 | 108.9 | R278 E282 | R278-E280 IonicContact NH1-OE1 3.59Å; E280-E282 PolarHBondContact O-N 3.5Å |
| 281 | P | 63.3 | Low | 80.8 | Confident | 107 Ų | 107 | 95.1 Ų | 95.1 | 70% | 0.695 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 135 | 173.2 | 23.7 | -29.6 | 0 | 0 | 0 | 109.2 | ||
| 282 | E | 64.1 | Low | 79.4 | Confident | 180 Ų | 180 | 99.1 Ų | 99.1 | 84% | 0.841 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 129.3 | 173.8 | -77.1 | -173.2 | 156.7 | 0 | 0 | 109.1 | E280 I284 | E280-E282 PolarHBondContact O-N 3.5Å; E282-I284 PolarHBondContact O-N 2.8Å |
| 283 | P | 60.3 | Low | 78.1 | Confident | 124 Ų | 124 | 108 Ų | 108 | 81% | 0.805 | 58% | 0.584 | S | S | * | * | trans | -60.5 | 111.2 | 175.7 | 23.4 | -30.7 | 0 | 0 | 0 | 107.3 | A285 | P283-A285 PolarHBondContact O-N 2.89Š| ||
| 284 | I | 62.1 | Low | 76.7 | Confident | 164 Ų | 164 | 117.9 Ų | 117.9 | 84% | 0.841 | 62% | 0.62 | S | S | * | * | trans | -53.1 | 106.7 | 175.1 | -55.3 | 170.7 | 0 | 0 | 0 | 105.8 | E282 A286 | E282-I284 PolarHBondContact O-N 2.8Å; I284-A286 PolarHBondContact O-N 2.9Å; I284-A286 VanDerWaalsContact O-N 3.09Å | ||
| 285 | A | 66 | Low | 75 | Confident | 83 Ų | 83 | 123.4 Ų | 123.4 | 69% | 0.686 | 66% | 0.656 | S | S | * | * | trans | -55.1 | 123.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | P283 Q287 | P283-A285 PolarHBondContact O-N 2.89Å; A285-Q287 PolarHBondContact O-N 3.09Å | ||
| 286 | A | 69.7 | Low | 73.5 | Confident | 102 Ų | 102 | 125.6 Ų | 125.6 | 84% | 0.843 | 68% | 0.679 | S | S | * | * | trans | -52.2 | 111.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | I284 R288 | I284-A286 PolarHBondContact O-N 2.9Å; I284-A286 VanDerWaalsContact O-N 3.09Å; A286-R288 PolarHBondContact O-N 3.15Å | ||
| 287 | Q | 71.4 | Confident | 72 | Confident | 174 Ų | 174 | 133.2 Ų | 133.2 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | trans | -72.4 | 117.4 | 175.6 | -74.9 | -172.2 | -6 | 0 | 0 | 108.2 | A285 I289 | A285-Q287 PolarHBondContact O-N 3.09Å; Q287-I289 PolarHBondContact O-N 3.25Å; Q287-I289 VanDerWaalsContact O-N 3.15Å | ||
| 288 | R | 71.2 | Confident | 70.6 | Confident | 247 Ų | 247 | 138.4 Ų | 138.4 | 93% | 0.932 | 75% | 0.747 | S | S | * | * | trans | -68.4 | 110.4 | 167.5 | -80 | -178.5 | 168.9 | 177.2 | -2.7 | 108.3 | A286 A290 | A286-R288 PolarHBondContact O-N 3.15Å; R288-A290 PolarHBondContact O-N 3.3Å | ||
| 289 | I | 79.7 | Confident | 69.2 | Low | 154 Ų | 154 | 144.5 Ų | 144.5 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -75.3 | 111.6 | 172 | -56.6 | 175.5 | 0 | 0 | 0 | 107.2 | Q287 I291 | Q287-I289 PolarHBondContact O-N 3.25Å; Q287-I289 VanDerWaalsContact O-N 3.15Å; I289-I291 PolarHBondContact O-N 3.39Å | ||
| 290 | A | 74.6 | Confident | 68.3 | Low | 83 Ų | 83 | 148.2 Ų | 148.2 | 69% | 0.686 | 82% | 0.821 | S | S | * | * | trans | -72.7 | 125 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | R288 S292 | R288-A290 PolarHBondContact O-N 3.3Å; A290-S292 PolarHBondContact O-N 3.47Å | ||
| 291 | I | 78.1 | Confident | 68 | Low | 170 Ų | 170 | 149.6 Ų | 149.6 | 87% | 0.872 | 83% | 0.834 | S | S | * | * | trans | -79.2 | 112.1 | 171.8 | -57.6 | 173.5 | 0 | 0 | 0 | 106.9 | I289 | I289-I291 PolarHBondContact O-N 3.39Š| ||
| 292 | S | 67.3 | Low | 68.2 | Low | 103 Ų | 103 | 151.9 Ų | 151.9 | 72% | 0.72 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 139.6 | 170.5 | -54.5 | 0 | 0 | 0 | 0 | 110 | A290 R294 | A290-S292 PolarHBondContact O-N 3.47Å; S292-R294 PolarHBondContact O-N 3.21Å |
| 293 | E | 70.1 | Confident | 68.5 | Low | 192 Ų | 192 | 150.3 Ų | 150.3 | 90% | 0.897 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 118.6 | 176.3 | -66.1 | -175 | 172.8 | 0 | 0 | 109.6 | ||
| 294 | R | 70 | Confident | 69 | Low | 240 Ų | 240 | 151.9 Ų | 151.9 | 91% | 0.906 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 124.8 | 175.1 | -123.6 | 178.8 | -168.2 | 157.5 | 3 | 107.7 | S292 A296 | S292-R294 PolarHBondContact O-N 3.21Å; R294-A296 PolarHBondContact O-N 2.96Å |
| 295 | P | 63.3 | Low | 69.4 | Low | 116 Ų | 116 | 151.1 Ų | 151.1 | 75% | 0.753 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 130.1 | 171.3 | -6.6 | 18.7 | 0 | 0 | 0 | 107.8 | L297 | P295-L297 PolarHBondContact O-N 3.27Š|
| 296 | A | 66.6 | Low | 69.7 | Low | 84 Ų | 84 | 156 Ų | 156 | 69% | 0.694 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 129.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | R294 N298 | R294-A296 PolarHBondContact O-N 2.96Å; A296-N298 PolarHBondContact O-N 3.26Å |
| 297 | L | 64 | Low | 69.7 | Low | 170 Ų | 170 | 160.2 Ų | 160.2 | 89% | 0.89 | 86% | 0.856 | S | S | * | * | trans | -60 | 107.3 | 171.9 | -79.4 | 158.8 | 0 | 0 | 0 | 107.2 | P295 S299 | P295-L297 PolarHBondContact O-N 3.27Å; L297-S299 PolarHBondContact O-N 3.04Å | ||
| 298 | N | 65.8 | Low | 69.5 | Low | 159 Ų | 159 | 159 Ų | 159 | 85% | 0.85 | 86% | 0.86 | S | S | * | * | trans | -67.2 | 103.3 | 169.3 | -70.1 | -25.6 | 0 | 0 | 0 | 106.9 | A296 | A296-N298 PolarHBondContact O-N 3.26Š| ||
| 299 | S | 63.8 | Low | 69.4 | Low | 190 Ų | 190 | 151 Ų | 151 | 100% | 1.329 | 85% | 0.853 | S | S | * | * | trans | -66.1 | 0 | 166.2 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | L297 | L297-S299 PolarHBondContact O-N 3.04Š|
Retrieved 299 of 299 residues in 196.8 ms
(Link to these results)