| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.8 | Low | 41.1 | Very low | 234 Ų | 234 | 148.5 Ų | 148.5 | 100% | 1.153 | 83% | 0.827 | S | S | * | * | 0 | 119.3 | 0 | -44.5 | -42 | -173.6 | 0 | 0 | 106.6 | |||||
| 2 | P | 42.9 | Very low | 40.3 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | cis | -134.5 | -156.4 | 39.6 | 42.9 | -26.3 | 0 | 0 | 0 | 113.7 | ||||
| 3 | A | 40.5 | Very low | 40.2 | Very low | 88 Ų | 88 | 145.9 Ų | 145.9 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | 70.4 | 80.1 | 152.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 4 | E | 37.3 | Very low | 39.5 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -25.4 | 132.2 | 137.6 | -179 | -174.3 | 173.2 | 0 | 0 | 114.5 | K6 | E4-K6 HydrophobicContact CG-CG 4.48Å; E4-K6 WeakPolarHBondContact OE1-CE 2.82Å; E4-K6 IonicContact OE1-NZ 3.77Å | ||
| 5 | A | 42.2 | Very low | 39 | Very low | 94 Ų | 94 | 148.1 Ų | 148.1 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | -131.7 | 95 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R7 | A5-R7 PolarHBondContact O-N 3.15Š| ||
| 6 | K | 43.8 | Very low | 38.8 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 81% | 0.809 | 78% | 0.783 | S | S | * | * | trans | -65.4 | 101.8 | 176.7 | -65.9 | -172.9 | -174.3 | -175.8 | 0 | 110.4 | E4 | E4-K6 HydrophobicContact CG-CG 4.48Å; E4-K6 WeakPolarHBondContact OE1-CE 2.82Å; E4-K6 IonicContact OE1-NZ 3.77Å | ||
| 7 | R | 41 | Very low | 38.7 | Very low | 242 Ų | 242 | 139.8 Ų | 139.8 | 91% | 0.913 | 76% | 0.761 | S | S | * | * | trans | -92.2 | 106.6 | 176.3 | -158.1 | 176.8 | -164.3 | 176 | 3.5 | 108.8 | A5 | A5-R7 PolarHBondContact O-N 3.15Š| ||
| 8 | A | 38.4 | Very low | 38.8 | Very low | 83 Ų | 83 | 135.2 Ų | 135.2 | 69% | 0.686 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 143.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 9 | P | 42.6 | Very low | 38.9 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 83% | 0.831 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 140.2 | 173.9 | 27.9 | -34 | 0 | 0 | 0 | 110.2 | ||
| 10 | Q | 38 | Very low | 39.5 | Very low | 182 Ų | 182 | 134.1 Ų | 134.1 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 148.8 | 177.3 | -68.3 | -178.1 | -40.3 | 0 | 0 | 110.6 | C12 | Q10-C12 PolarHBondContact O-N 3.41Š|
| 11 | S | 34.9 | Very low | 39.9 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 72% | 0.715 | S | S | * | * | trans | -65.5 | 115.6 | -175.3 | 46.5 | 0 | 0 | 0 | 0 | 112.3 | K13 | S11-K13 PolarHBondContact O-N 3.17Å; S11-K13 VanDerWaalsContact O-N 3.1Å | ||
| 12 | C | 31.9 | Very low | 39.6 | Very low | 110 Ų | 110 | 121.9 Ų | 121.9 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | trans | -65.1 | 107.6 | 166.1 | -60.1 | 0 | 0 | 0 | 0 | 108.9 | Q10 | Q10-C12 PolarHBondContact O-N 3.41Š| ||
| 13 | K | 38.2 | Very low | 40.1 | Very low | 153 Ų | 153 | 121.4 Ų | 121.4 | 67% | 0.665 | 65% | 0.651 | S | S | * | * | trans | -65.5 | 151.4 | 170.3 | -65.9 | 177.7 | -178.9 | 175.3 | 0 | 110 | S11 Y15 | S11-K13 PolarHBondContact O-N 3.17Å; S11-K13 VanDerWaalsContact O-N 3.1Å; K13-Y15 HydrophobicContact CB-CD2 4.26Å; K13-Y15 HydrophobicContact CB-CE2 3.84Å; K13-Y15 PolarHBondContact O-N 3.01Å | ||
| 14 | E | 31.1 | Very low | 40.6 | Very low | 186 Ų | 186 | 122.6 Ų | 122.6 | 87% | 0.869 | 65% | 0.646 | S | S | * | * | trans | -64.3 | 124.2 | 170.9 | -66.9 | 175.2 | 103.6 | 0 | 0 | 110.5 | ||||
| 15 | Y | 31.9 | Very low | 41.3 | Very low | 138 Ų | 138 | 116.5 Ų | 116.5 | 54% | 0.541 | 62% | 0.622 | S | S | . | * | trans | -132.3 | 119.9 | 165 | -74.9 | -83.9 | 0 | 0 | 0 | 107.7 | K13 Q882 | K13-Y15 HydrophobicContact CB-CD2 4.26Å; K13-Y15 HydrophobicContact CB-CE2 3.84Å; K13-Y15 PolarHBondContact O-N 3.01Å; Y15-Q882 PolarHBondContact O-NE2 2.82Å | ||
| 16 | A | 35.9 | Very low | 41.7 | Very low | 75 Ų | 75 | 115.4 Ų | 115.4 | 62% | 0.62 | 60% | 0.602 | S | S | * | * | trans | -131.2 | 114.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 17 | M | 37.6 | Very low | 42.2 | Very low | 81 Ų | 81 | 112.3 Ų | 112.3 | 40% | 0.399 | 60% | 0.598 | S | S | . | * | trans | -92.4 | 151.8 | 175.1 | -77.7 | -172.9 | -69.1 | 0 | 0 | 110.2 | E21 M881 | M17-E21 HydrophobicContact CB-CB 4.18Å; M17-E21 HydrophobicContact CG-CB 4.45Å; M17-E21 HydrophobicContact SD-CB 4.27Å; M17-M881 HydrophobicContact CE-CG 4.02Å; M17-M881 HydrophobicContact CE-SD 4.11Å | ||
| 18 | S | 39.1 | Very low | 42.8 | Very low | 57 Ų | 57 | 105 Ų | 105 | 40% | 0.399 | 59% | 0.59 | S | S | . | * | trans | -77.2 | 164 | 176.4 | 69.3 | 0 | 0 | 0 | 0 | 112.2 | V20 E21 F22 | S18-V20 PolarHBondContact O-N 2.95Å; S18-E21 VanDerWaalsContact CB-OE2 3.27Å; S18-E21 WeakPolarHBondContact CB-OE2 3.39Å; S18-E21 PolarHBondContact N-OE2 2.92Å; S18-E21 PolarHBondContact O-N 3.1Å; S18-E21 PolarHBondContact OG-OE2 3.45Å; S18-F22 PolarHBondContact O-N 3.16Å | ||
| 19 | F | 42.3 | Very low | 43.9 | Very low | 142 Ų | 142 | 103.3 Ų | 103.3 | 62% | 0.623 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.9 | -19.4 | 176.3 | -173 | -94.1 | 0 | 0 | 0 | 113.5 | F22 | F19-F22 HydrophobicContact CD2-CD1 4.41Å; F19-F22 HydrophobicContact CE2-CD1 4.2Å; F19-F22 WeakPolarHBondContact O-CB 3.15Å |
| 20 | V | 49 | Very low | 45.1 | Very low | 106 Ų | 106 | 99 Ų | 99 | 64% | 0.642 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -76.9 | -44.5 | 176.8 | -176.2 | 0 | 0 | 0 | 0 | 110.5 | S18 F22 E23 D24 | S18-V20 PolarHBondContact O-N 2.95Å; V20-F22 PolarHBondContact O-N 3.49Å; V20-E23 PolarHBondContact O-N 2.72Å; V20-D24 PolarHBondContact O-N 3.21Å |
| 21 | E | 48.7 | Very low | 46.8 | Very low | 91 Ų | 91 | 96.9 Ų | 96.9 | 43% | 0.425 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63 | -23.1 | 175.6 | -67.7 | 158.4 | 117.9 | 0 | 0 | 112.2 | M17 S18 A25 | M17-E21 HydrophobicContact CB-CB 4.18Å; M17-E21 HydrophobicContact CG-CB 4.45Å; M17-E21 HydrophobicContact SD-CB 4.27Å; S18-E21 VanDerWaalsContact CB-OE2 3.27Å; S18-E21 WeakPolarHBondContact CB-OE2 3.39Å; S18-E21 PolarHBondContact N-OE2 2.92Å; S18-E21 PolarHBondContact O-N 3.1Å; S18-E21 PolarHBondContact OG-OE2 3.45Å; E21-A25 WeakPolarHBondContact O-CB 3.31Å; E21-A25 PolarHBondContact O-N 3.06Å |
| 22 | F | 45.5 | Very low | 49.1 | Very low | 21 Ų | 21 | 94.9 Ų | 94.9 | 9% | 0.092 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -67.4 | -40.9 | 174.9 | 174.2 | -106.4 | 0 | 0 | 0 | 113.3 | S18 F19 V20 A25 M26 V40 M881 Y883 | S18-F22 PolarHBondContact O-N 3.16Å; F19-F22 HydrophobicContact CD2-CD1 4.41Å; F19-F22 HydrophobicContact CE2-CD1 4.2Å; F19-F22 WeakPolarHBondContact O-CB 3.15Å; V20-F22 PolarHBondContact O-N 3.49Å; F22-A25 PolarHBondContact O-N 3.04Å; F22-M26 HydrophobicContact CD1-CE 3.72Å; F22-M26 HydrophobicContact CD1-SD 4.46Å; F22-M26 HydrophobicContact CE1-CE 3.29Å; F22-M26 HydrophobicContact CE1-SD 3.72Å; F22-M26 HydrophobicContact CE2-CG 4.17Å; F22-M26 HydrophobicContact CE2-SD 4.06Å; F22-M26 HydrophobicContact CG-CE 4.49Å; F22-M26 HydrophobicContact CZ-CE 3.76Å; F22-M26 HydrophobicContact CZ-CG 4.18Å; F22-M26 HydrophobicContact CZ-SD 3.47Å; F22-M26 WeakPolarHBondContact CZ-SD 3.48Å; F22-M26 WeakPolarHBondContact O-CB 3.48Å; F22-M26 WeakPolarHBondContact O-CG 3.38Å; F22-M26 PolarHBondContact O-N 2.7Å; F22-V40 HydrophobicContact CZ-CG2 4.47Å; F22-M881 HydrophobicContact CD2-CE 3.62Å; F22-M881 HydrophobicContact CD2-SD 4.18Å; F22-M881 HydrophobicContact CE2-CE 3.77Å; F22-Y883 HydrophobicContact CD2-CE2 4.36Å; F22-Y883 WeakPolarHBondContact CD2-OH 3.36Å; F22-Y883 HydrophobicContact CE2-CE2 4.31Å; F22-Y883 VanDerWaalsContact CE2-OH 3.22Å; F22-Y883 WeakPolarHBondContact CE2-OH 2.95Å; F22-Y883 VanDerWaalsContact CZ-OH 3.32Å; F22-Y883 WeakPolarHBondContact CZ-OH 3.49Å |
| 23 | E | 53.4 | Low | 51.5 | Low | 117 Ų | 117 | 96.5 Ų | 96.5 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.5 | -40.8 | 176.5 | -69.2 | -159.3 | 142.5 | 0 | 0 | 111.8 | V20 M26 T27 | V20-E23 PolarHBondContact O-N 2.72Å; E23-M26 HydrophobicContact CG-CE 4.39Å; E23-M26 PolarHBondContact O-N 3.39Å; E23-T27 WeakPolarHBondContact O-CB 3.15Å; E23-T27 PolarHBondContact O-N 3.13Å; E23-T27 PolarHBondContact O-OG1 3.15Å |
| 24 | D | 50.3 | Low | 53.7 | Low | 114 Ų | 114 | 93 Ų | 93 | 61% | 0.61 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.8 | -44 | 173.5 | -80.5 | -27.8 | 0 | 0 | 0 | 111.3 | V20 T27 A28 | V20-D24 PolarHBondContact O-N 3.21Å; D24-T27 PolarHBondContact O-N 2.88Å; D24-T27 VanDerWaalsContact O-N 3.15Å; D24-A28 WeakPolarHBondContact O-CB 3.22Å; D24-A28 PolarHBondContact O-N 3.44Å |
| 25 | A | 51.1 | Low | 56.3 | Low | 28 Ų | 28 | 84.4 Ų | 84.4 | 23% | 0.231 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -63.1 | -43 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E21 F22 T27 A28 F30 M881 | E21-A25 WeakPolarHBondContact O-CB 3.31Å; E21-A25 PolarHBondContact O-N 3.06Å; F22-A25 PolarHBondContact O-N 3.04Å; A25-T27 PolarHBondContact O-N 3.2Å; A25-A28 PolarHBondContact O-N 3.34Å; A25-F30 WeakPolarHBondContact O-CD2 3.45Å; A25-F30 WeakPolarHBondContact O-CE2 3.33Å; A25-M881 HydrophobicContact CB-SD 4.14Å |
| 26 | M | 51.7 | Low | 59 | Low | 72 Ų | 72 | 78.4 Ų | 78.4 | 36% | 0.355 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.6 | -35.4 | 173.4 | -77.5 | -164.5 | -59.8 | 0 | 0 | 112.2 | F22 E23 | F22-M26 HydrophobicContact CD1-CE 3.72Å; F22-M26 HydrophobicContact CD1-SD 4.46Å; F22-M26 HydrophobicContact CE1-CE 3.29Å; F22-M26 HydrophobicContact CE1-SD 3.72Å; F22-M26 HydrophobicContact CE2-CG 4.17Å; F22-M26 HydrophobicContact CE2-SD 4.06Å; F22-M26 HydrophobicContact CG-CE 4.49Å; F22-M26 HydrophobicContact CZ-CE 3.76Å; F22-M26 HydrophobicContact CZ-CG 4.18Å; F22-M26 HydrophobicContact CZ-SD 3.47Å; F22-M26 WeakPolarHBondContact CZ-SD 3.48Å; F22-M26 WeakPolarHBondContact O-CB 3.48Å; F22-M26 WeakPolarHBondContact O-CG 3.38Å; F22-M26 PolarHBondContact O-N 2.7Å; E23-M26 HydrophobicContact CG-CE 4.39Å; E23-M26 PolarHBondContact O-N 3.39Å |
| 27 | T | 54.2 | Low | 61.4 | Low | 120 Ų | 120 | 79.9 Ų | 79.9 | 74% | 0.736 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -78.9 | -28.9 | -178.2 | -55.9 | 0 | 0 | 0 | 0 | 113.1 | E23 D24 A25 | E23-T27 WeakPolarHBondContact O-CB 3.15Å; E23-T27 PolarHBondContact O-N 3.13Å; E23-T27 PolarHBondContact O-OG1 3.15Å; D24-T27 PolarHBondContact O-N 2.88Å; D24-T27 VanDerWaalsContact O-N 3.15Å; A25-T27 PolarHBondContact O-N 3.2Å |
| 28 | A | 53.3 | Low | 63.8 | Low | 90 Ų | 90 | 81 Ų | 81 | 74% | 0.744 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -99.5 | -18.4 | -164.4 | 0 | 0 | 0 | 0 | 0 | 117 | D24 A25 | D24-A28 WeakPolarHBondContact O-CB 3.22Å; D24-A28 PolarHBondContact O-N 3.44Å; A25-A28 PolarHBondContact O-N 3.34Å |
| 29 | G | 60.4 | Low | 66.2 | Low | 47 Ų | 47 | 78.5 Ų | 78.5 | 49% | 0.485 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -134.1 | -21.2 | -166.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 30 | F | 69.2 | Low | 68.4 | Low | 38 Ų | 38 | 74 Ų | 74 | 17% | 0.167 | 42% | 0.416 | C | S | . | . | trans | -95.3 | 112.8 | -164 | -66.2 | -77.2 | 0 | 0 | 0 | 114.3 | A25 T36 F64 T65 Y68 M881 | A25-F30 WeakPolarHBondContact O-CD2 3.45Å; A25-F30 WeakPolarHBondContact O-CE2 3.33Å; F30-T36 HydrophobicContact CB-CG2 4.41Å; F30-T36 WeakPolarHBondContact CB-OG1 3.27Å; F30-T36 HydrophobicContact CD1-CG2 4.38Å; F30-T36 HydrophobicContact CD2-CG2 4.36Å; F30-T36 HydrophobicContact CG-CG2 4.13Å; F30-F64 HydrophobicContact CD1-CE2 4.18Å; F30-F64 AromaticContact CE1-CD2 3.83Å; F30-F64 HydrophobicContact CE1-CD2 3.83Å; F30-F64 AromaticContact CE1-CE2 3.46Å; F30-F64 HydrophobicContact CE1-CE2 3.46Å; F30-F64 VanDerWaalsContact CE1-CE2 3.46Å; F30-F64 HydrophobicContact CZ-CD2 4.29Å; F30-F64 AromaticContact CZ-CE2 3.81Å; F30-F64 HydrophobicContact CZ-CE2 3.81Å; F30-T65 WeakPolarHBondContact CE1-O 3.46Å; F30-Y68 HydrophobicContact CD1-CD1 4.39Å; F30-Y68 AromaticContact CD1-CE1 3.65Å; F30-Y68 HydrophobicContact CD1-CE1 3.65Å; F30-Y68 AromaticContact CD1-CZ 3.79Å; F30-Y68 HydrophobicContact CE1-CE1 4.23Å; F30-M881 HydrophobicContact CZ-CE 4.5Å | ||
| 31 | T | 73.4 | Confident | 70.2 | Confident | 137 Ų | 137 | 72.6 Ų | 72.6 | 84% | 0.84 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -80.6 | -14.5 | -177.5 | 54.7 | 0 | 0 | 0 | 0 | 115.6 | Y68 | T31-Y68 PolarHBondContact N-OH 2.94Š|
| 32 | N | 82.7 | Confident | 72 | Confident | 69 Ų | 69 | 69.2 Ų | 69.2 | 37% | 0.369 | 40% | 0.395 | S | S | . | . | trans | -127.5 | 74.6 | -173.3 | -174.1 | -12.4 | 0 | 0 | 0 | 109.4 | P34 L35 T36 Y68 | N32-P34 VanDerWaalsContact C-CD 3.48Å; N32-P34 VanDerWaalsContact C-N 3.31Å; N32-P34 WeakPolarHBondContact OD1-CD 3.42Å; N32-L35 HydrophobicContact CB-CB 4.01Å; N32-L35 VanDerWaalsContact CG-CB 3.43Å; N32-L35 WeakPolarHBondContact O-CA 3.26Å; N32-L35 WeakPolarHBondContact O-CB 3.49Å; N32-L35 PolarHBondContact O-N 3.1Å; N32-L35 PolarHBondContact OD1-N 2.82Å; N32-T36 PolarHBondContact O-N 3.13Å; N32-T36 PolarHBondContact O-OG1 2.86Å; N32-Y68 HydrophobicContact CB-CE2 4.27Å; N32-Y68 PolarHBondContact N-OH 2.83Å; N32-Y68 PolarHBondContact O-OH 2.81Å | ||
| 33 | H | 82.2 | Confident | 74.1 | Confident | 145 Ų | 145 | 70 Ų | 70 | 67% | 0.671 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -51.9 | -38.7 | -178.8 | -174 | -37.9 | 0 | 0 | 0 | 114 | T36 H37 | H33-T36 PolarHBondContact O-N 2.94Å; H33-H37 WeakPolarHBondContact O-CB 3.18Å; H33-H37 PolarHBondContact O-N 3.09Å |
| 34 | P | 85.3 | Confident | 75.7 | Confident | 79 Ų | 79 | 67.3 Ų | 67.3 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.8 | -46.8 | 171.3 | -27.2 | 35.7 | 0 | 0 | 0 | 113.3 | N32 H37 Y38 | N32-P34 VanDerWaalsContact C-CD 3.48Å; N32-P34 VanDerWaalsContact C-N 3.31Å; N32-P34 WeakPolarHBondContact OD1-CD 3.42Å; P34-H37 PolarHBondContact O-N 2.9Å; P34-Y38 WeakPolarHBondContact O-CD2 3.48Å; P34-Y38 PolarHBondContact O-N 3.08Å |
| 35 | L | 86 | Confident | 77.5 | Confident | 5 Ų | 5 | 63.6 Ų | 63.6 | 3% | 0.026 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63 | -45.9 | 176.7 | 176.4 | 58.3 | 0 | 0 | 0 | 111.8 | N32 H37 Y38 L39 Y68 F101 F594 | N32-L35 HydrophobicContact CB-CB 4.01Å; N32-L35 VanDerWaalsContact CG-CB 3.43Å; N32-L35 WeakPolarHBondContact O-CA 3.26Å; N32-L35 WeakPolarHBondContact O-CB 3.49Å; N32-L35 PolarHBondContact O-N 3.1Å; N32-L35 PolarHBondContact OD1-N 2.82Å; L35-H37 VanDerWaalsContact C-N 3.31Å; L35-H37 PolarHBondContact O-N 3.01Å; L35-Y38 PolarHBondContact O-N 3.04Å; L35-L39 HydrophobicContact CD1-CD1 3.77Å; L35-L39 HydrophobicContact CD1-CG 3.88Å; L35-L39 HydrophobicContact CG-CD1 3.91Å; L35-L39 HydrophobicContact CG-CG 4.41Å; L35-L39 WeakPolarHBondContact O-CG 3.33Å; L35-L39 PolarHBondContact O-N 3.16Å; L35-Y68 HydrophobicContact CB-CE1 4.31Å; L35-Y68 HydrophobicContact CD2-CD1 3.62Å; L35-Y68 HydrophobicContact CD2-CD2 3.84Å; L35-Y68 HydrophobicContact CD2-CE1 3.87Å; L35-Y68 HydrophobicContact CD2-CE2 4.11Å; L35-Y68 HydrophobicContact CD2-CG 3.59Å; L35-Y68 HydrophobicContact CG-CD1 3.78Å; L35-Y68 HydrophobicContact CG-CE1 3.87Å; L35-Y68 HydrophobicContact CG-CG 4.27Å; L35-F101 HydrophobicContact CD2-CE2 3.83Å; L35-F101 HydrophobicContact CD2-CZ 3.67Å; L35-F594 HydrophobicContact CD1-CE1 3.55Å; L35-F594 HydrophobicContact CD1-CZ 3.62Å |
| 36 | T | 88.7 | Confident | 79.4 | Confident | 12 Ų | 12 | 65.7 Ų | 65.7 | 7% | 0.074 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -55.5 | -47.1 | 175.9 | -49.9 | 0 | 0 | 0 | 0 | 111.1 | F30 N32 H33 L39 V40 F64 Y68 | F30-T36 HydrophobicContact CB-CG2 4.41Å; F30-T36 WeakPolarHBondContact CB-OG1 3.27Å; F30-T36 HydrophobicContact CD1-CG2 4.38Å; F30-T36 HydrophobicContact CD2-CG2 4.36Å; F30-T36 HydrophobicContact CG-CG2 4.13Å; N32-T36 PolarHBondContact O-N 3.13Å; N32-T36 PolarHBondContact O-OG1 2.86Å; H33-T36 PolarHBondContact O-N 2.94Å; T36-L39 PolarHBondContact O-N 2.85Å; T36-V40 HydrophobicContact CG2-CG2 4.49Å; T36-V40 WeakPolarHBondContact O-CB 3.18Å; T36-V40 VanDerWaalsContact O-CG2 3.3Å; T36-V40 WeakPolarHBondContact O-CG2 3.38Å; T36-V40 PolarHBondContact O-N 2.71Å; T36-F64 HydrophobicContact CG2-CE2 4.17Å; T36-F64 HydrophobicContact CG2-CZ 4Å; T36-Y68 WeakPolarHBondContact OG1-CE1 3.49Å; T36-Y68 PolarHBondContact OG1-OH 2.69Å |
| 37 | H | 86 | Confident | 81.3 | Confident | 106 Ų | 106 | 62.4 Ų | 62.4 | 49% | 0.491 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 177.9 | 179.7 | -78.1 | 0 | 0 | 0 | 111.8 | H33 P34 L35 L39 V40 C41 | H33-H37 WeakPolarHBondContact O-CB 3.18Å; H33-H37 PolarHBondContact O-N 3.09Å; P34-H37 PolarHBondContact O-N 2.9Å; L35-H37 VanDerWaalsContact C-N 3.31Å; L35-H37 PolarHBondContact O-N 3.01Å; H37-L39 PolarHBondContact O-N 3.1Å; H37-V40 PolarHBondContact O-N 3.5Å; H37-C41 VanDerWaalsContact CE1-SG 3.52Å; H37-C41 PolarHBondContact O-N 2.99Å; H37-C41 PolarHBondContact O-SG 3.46Å |
| 38 | Y | 86.5 | Confident | 83.1 | Confident | 105 Ų | 105 | 58.9 Ų | 58.9 | 41% | 0.412 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 177.5 | -71.2 | -58.4 | 0 | 0 | 0 | 112.5 | P34 L35 C41 L42 V596 V598 | P34-Y38 WeakPolarHBondContact O-CD2 3.48Å; P34-Y38 PolarHBondContact O-N 3.08Å; L35-Y38 PolarHBondContact O-N 3.04Å; Y38-C41 PolarHBondContact O-N 2.9Å; Y38-L42 WeakPolarHBondContact O-CG 3.47Å; Y38-L42 PolarHBondContact O-N 2.88Å; Y38-L42 VanDerWaalsContact O-N 3.09Å; Y38-V596 HydrophobicContact CD1-CG1 4.41Å; Y38-V596 HydrophobicContact CD2-CB 4.39Å; Y38-V596 HydrophobicContact CD2-CG2 3.99Å; Y38-V596 HydrophobicContact CG-CB 4.45Å; Y38-V596 HydrophobicContact CG-CG1 4.21Å; Y38-V596 HydrophobicContact CG-CG2 4.24Å; Y38-V598 HydrophobicContact CD1-CG2 3.95Å; Y38-V598 HydrophobicContact CE1-CG2 3.94Å |
| 39 | L | 89.8 | Confident | 84.9 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 179.8 | -69.1 | 173.6 | 0 | 0 | 0 | 112.3 | L35 T36 H37 L42 M43 L61 F64 Y68 L70 | L35-L39 HydrophobicContact CD1-CD1 3.77Å; L35-L39 HydrophobicContact CD1-CG 3.88Å; L35-L39 HydrophobicContact CG-CD1 3.91Å; L35-L39 HydrophobicContact CG-CG 4.41Å; L35-L39 WeakPolarHBondContact O-CG 3.33Å; L35-L39 PolarHBondContact O-N 3.16Å; T36-L39 PolarHBondContact O-N 2.85Å; H37-L39 PolarHBondContact O-N 3.1Å; L39-L42 PolarHBondContact O-N 3.34Å; L39-M43 VanDerWaalsContact O-CG 3.3Å; L39-M43 WeakPolarHBondContact O-CG 3.26Å; L39-M43 PolarHBondContact O-N 3.47Å; L39-L61 HydrophobicContact CD2-CD2 4.28Å; L39-F64 HydrophobicContact CB-CD1 3.78Å; L39-F64 HydrophobicContact CB-CE1 3.55Å; L39-F64 HydrophobicContact CB-CG 4.38Å; L39-F64 HydrophobicContact CB-CZ 3.96Å; L39-F64 HydrophobicContact CD1-CD1 4.3Å; L39-F64 HydrophobicContact CD1-CD2 4.11Å; L39-F64 HydrophobicContact CD1-CE2 4.38Å; L39-F64 HydrophobicContact CD1-CG 4.08Å; L39-Y68 HydrophobicContact CD1-CD1 3.77Å; L39-L70 HydrophobicContact CD1-CD2 3.83Å; L39-L70 HydrophobicContact CD2-CD2 3.71Å; L39-L70 HydrophobicContact CG-CD2 4.41Å |
| 40 | V | 88.1 | Confident | 86.5 | Confident | 47 Ų | 47 | 56.6 Ų | 56.6 | 29% | 0.285 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 172.4 | 170.5 | 0 | 0 | 0 | 0 | 111 | F22 T36 H37 L42 M43 F64 | F22-V40 HydrophobicContact CZ-CG2 4.47Å; T36-V40 HydrophobicContact CG2-CG2 4.49Å; T36-V40 WeakPolarHBondContact O-CB 3.18Å; T36-V40 VanDerWaalsContact O-CG2 3.3Å; T36-V40 WeakPolarHBondContact O-CG2 3.38Å; T36-V40 PolarHBondContact O-N 2.71Å; H37-V40 PolarHBondContact O-N 3.5Å; V40-L42 PolarHBondContact O-N 3.2Å; V40-M43 WeakPolarHBondContact O-CB 3.29Å; V40-M43 PolarHBondContact O-N 3.15Å; V40-M43 VanDerWaalsContact O-N 3.15Å; V40-F64 HydrophobicContact CG2-CE1 4.03Å; V40-F64 HydrophobicContact CG2-CZ 3.91Å |
| 41 | C | 86.7 | Confident | 87.7 | Confident | 78 Ų | 78 | 55.1 Ų | 55.1 | 53% | 0.527 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.9 | -23.4 | 176 | -68.1 | 0 | 0 | 0 | 0 | 114.1 | H37 Y38 | H37-C41 VanDerWaalsContact CE1-SG 3.52Å; H37-C41 PolarHBondContact O-N 2.99Å; H37-C41 PolarHBondContact O-SG 3.46Å; Y38-C41 PolarHBondContact O-N 2.9Å |
| 42 | L | 88.4 | Confident | 88.6 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 10% | 0.099 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -92.8 | -5.1 | 177.2 | -66.2 | -174.6 | 0 | 0 | 0 | 113.7 | Y38 L39 V40 G44 S45 V47 L61 V107 A109 | Y38-L42 WeakPolarHBondContact O-CG 3.47Å; Y38-L42 PolarHBondContact O-N 2.88Å; Y38-L42 VanDerWaalsContact O-N 3.09Å; L39-L42 PolarHBondContact O-N 3.34Å; V40-L42 PolarHBondContact O-N 3.2Å; L42-G44 PolarHBondContact O-N 3.1Å; L42-S45 VanDerWaalsContact O-CB 3.25Å; L42-S45 WeakPolarHBondContact O-CB 3.31Å; L42-S45 PolarHBondContact O-N 2.61Å; L42-V47 HydrophobicContact CB-CG1 4.35Å; L42-V47 HydrophobicContact CD1-CG1 4.34Å; L42-L61 HydrophobicContact CB-CD2 3.74Å; L42-V107 HydrophobicContact CD1-CG1 4.12Å; L42-A109 HydrophobicContact CD1-CB 4.15Å; L42-A109 HydrophobicContact CD2-CB 3.38Å; L42-A109 HydrophobicContact CG-CB 4.37Å |
| 43 | M | 88.9 | Confident | 88.9 | Confident | 37 Ų | 37 | 53.9 Ų | 53.9 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 134.9 | 178.8 | -68.1 | -164.5 | 58.9 | 0 | 0 | 111.5 | L39 V40 S45 L61 A62 G63 F64 Y883 | L39-M43 VanDerWaalsContact O-CG 3.3Å; L39-M43 WeakPolarHBondContact O-CG 3.26Å; L39-M43 PolarHBondContact O-N 3.47Å; V40-M43 WeakPolarHBondContact O-CB 3.29Å; V40-M43 PolarHBondContact O-N 3.15Å; V40-M43 VanDerWaalsContact O-N 3.15Å; M43-S45 PolarHBondContact O-N 2.75Å; M43-L61 HydrophobicContact CG-CD2 4.47Å; M43-A62 WeakPolarHBondContact CE-O 3.32Å; M43-G63 VanDerWaalsContact CE-CA 3.43Å; M43-F64 HydrophobicContact SD-CD1 4.4Å; M43-F64 HydrophobicContact SD-CE1 4.11Å; M43-Y883 HydrophobicContact CE-CD2 3.26Å; M43-Y883 HydrophobicContact CE-CE2 3.73Å; M43-Y883 HydrophobicContact CE-CG 4Å; M43-Y883 HydrophobicContact SD-CD2 4.21Å; M43-Y883 HydrophobicContact SD-CE2 4.06Å |
| 44 | G | 87.7 | Confident | 89.1 | Confident | 61 Ų | 61 | 55 Ų | 55 | 63% | 0.629 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | -6.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L42 V60 L61 | L42-G44 PolarHBondContact O-N 3.1Å; G44-V60 WeakPolarHBondContact O-CG1 3.21Å; G44-L61 PolarHBondContact N-O 3.22Å |
| 45 | S | 88 | Confident | 89.4 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 26% | 0.259 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -88.1 | 151.7 | 176.6 | -58.9 | 0 | 0 | 0 | 0 | 112 | L42 M43 V47 V60 L61 | L42-S45 VanDerWaalsContact O-CB 3.25Å; L42-S45 WeakPolarHBondContact O-CB 3.31Å; L42-S45 PolarHBondContact O-N 2.61Å; M43-S45 PolarHBondContact O-N 2.75Å; S45-V47 PolarHBondContact O-N 2.91Å; S45-V60 WeakPolarHBondContact O-CA 3.41Å; S45-L61 PolarHBondContact O-N 2.76Å |
| 46 | S | 90.2 | Very high | 89.6 | Confident | 72 Ų | 72 | 56 Ų | 56 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 120.1 | 167.8 | -60.7 | 0 | 0 | 0 | 0 | 110.5 | V110 | S46-V110 PolarHBondContact O-N 3.3Å |
| 47 | V | 91.4 | Very high | 89.8 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 143.9 | -179 | -63.3 | 0 | 0 | 0 | 0 | 111.6 | L42 S45 I49 D58 G59 L61 L72 V107 Q108 A109 | L42-V47 HydrophobicContact CB-CG1 4.35Å; L42-V47 HydrophobicContact CD1-CG1 4.34Å; S45-V47 PolarHBondContact O-N 2.91Å; V47-I49 HydrophobicContact CG2-CD1 4.16Å; V47-I49 HydrophobicContact CG2-CG1 4.12Å; V47-D58 WeakPolarHBondContact O-CA 3.34Å; V47-G59 WeakPolarHBondContact CG2-O 3.44Å; V47-G59 PolarHBondContact N-O 3.31Å; V47-G59 PolarHBondContact O-N 2.8Å; V47-G59 VanDerWaalsContact O-O 3.12Å; V47-L61 HydrophobicContact CG1-CB 4.17Å; V47-L61 HydrophobicContact CG2-CB 3.9Å; V47-L72 HydrophobicContact CG2-CD2 3.46Å; V47-L72 VanDerWaalsContact CG2-CD2 3.46Å; V47-V107 HydrophobicContact CB-CG1 4.18Å; V47-V107 HydrophobicContact CG1-CG1 4.26Å; V47-Q108 CarbonylContact C-O 3.34Å; V47-Q108 WeakPolarHBondContact CA-O 3.42Å; V47-Q108 WeakPolarHBondContact CB-O 3.43Å; V47-A109 HydrophobicContact CG1-CB 4.13Å |
| 48 | R | 91.6 | Very high | 90 | Very high | 46 Ų | 46 | 52.9 Ų | 52.9 | 17% | 0.174 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 112 | 175.7 | 171.7 | 163 | -69.8 | -172.8 | 4 | 108 | L56 D58 Q108 | R48-L56 HydrophobicContact CG-CD1 3.62Å; R48-L56 HydrophobicContact CG-CD2 4.34Å; R48-L56 HydrophobicContact CG-CG 4.06Å; R48-D58 WeakPolarHBondContact CA-OD1 3.5Å; R48-D58 WeakPolarHBondContact CB-OD1 3.29Å; R48-D58 WeakPolarHBondContact CG-OD1 3.42Å; R48-D58 IonicContact CZ-OD1 2.86Å; R48-D58 IonicContact CZ-OD2 2.99Å; R48-D58 VanDerWaalsContact CZ-OD2 3.26Å; R48-D58 VanDerWaalsContact NE-CG 3.33Å; R48-D58 IonicContact NE-OD1 3.14Å; R48-D58 PolarHBondContact NE-OD1 3.23Å; R48-D58 IonicContact NE-OD2 3.81Å; R48-D58 PolarHBondContact NE-OD2 3.46Å; R48-D58 IonicContact NH2-OD1 3.75Å; R48-D58 IonicContact NH2-OD2 3.26Å; R48-D58 PolarHBondContact NH2-OD2 3.29Å; R48-Q108 HydrophobicContact CB-CB 4.3Å; R48-Q108 PolarHBondContact N-O 3.38Å; R48-Q108 PolarHBondContact O-N 3.41Å |
| 49 | I | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 119.4 | -173.8 | -58.4 | -163.3 | 0 | 0 | 0 | 110.1 | V47 Y57 L70 L72 I99 V104 V107 | V47-I49 HydrophobicContact CG2-CD1 4.16Å; V47-I49 HydrophobicContact CG2-CG1 4.12Å; I49-Y57 PolarHBondContact N-O 3.5Å; I49-Y57 PolarHBondContact O-N 3.42Å; I49-L70 HydrophobicContact CD1-CB 4.26Å; I49-L70 HydrophobicContact CD1-CD1 3.66Å; I49-L72 HydrophobicContact CD1-CD1 4Å; I49-L72 HydrophobicContact CD1-CD2 3.85Å; I49-L72 HydrophobicContact CD1-CG 4.21Å; I49-L72 HydrophobicContact CG1-CD1 4.34Å; I49-I99 HydrophobicContact CB-CD1 4.2Å; I49-I99 HydrophobicContact CD1-CD1 4.46Å; I49-I99 HydrophobicContact CG2-CD1 3.95Å; I49-I99 HydrophobicContact CG2-CG2 4.45Å; I49-V104 HydrophobicContact CG2-CG1 4.29Å; I49-V104 HydrophobicContact CG2-CG2 4.43Å; I49-V107 HydrophobicContact CD1-CG1 4.45Å; I49-V107 HydrophobicContact CD1-CG2 4.17Å; I49-V107 HydrophobicContact CG1-CG1 4.26Å; I49-V107 HydrophobicContact CG1-CG2 4.24Å |
| 50 | R | 93.2 | Very high | 90.3 | Very high | 90 Ų | 90 | 50.2 Ų | 50.2 | 34% | 0.34 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 129 | 173.4 | -165.5 | -176.5 | -158.7 | 119.1 | 21.1 | 109.9 | L56 E81 V105 S106 | R50-L56 HydrophobicContact CB-CD1 4.06Å; R50-L56 HydrophobicContact CG-CD1 4.43Å; R50-E81 IonicContact CZ-OE1 2.7Å; R50-E81 IonicContact NH1-OE1 3.07Å; R50-E81 PolarHBondContact NH1-OE1 3.21Å; R50-E81 IonicContact NH1-OE2 2.69Å; R50-E81 IonicContact NH2-OE1 2.66Å; R50-E81 PolarHBondContact NH2-OE1 3.15Å; R50-V105 PolarHBondContact O-N 2.9Å; R50-S106 WeakPolarHBondContact CB-OG 3.37Å; R50-S106 PolarHBondContact N-O 3.49Å; R50-S106 PolarHBondContact O-N 2.92Å |
| 51 | T | 93.5 | Very high | 90.6 | Very high | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.043 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 165.6 | 177.3 | 67.2 | 0 | 0 | 0 | 0 | 113.9 | D53 K54 L55 Y57 I99 S103 | T51-D53 PolarHBondContact O-N 3.33Å; T51-K54 WeakPolarHBondContact O-CA 3.26Å; T51-K54 PolarHBondContact O-N 3.29Å; T51-L55 PolarHBondContact N-O 3.14Å; T51-L55 PolarHBondContact OG1-N 3.25Å; T51-L55 PolarHBondContact OG1-O 3.35Å; T51-Y57 HydrophobicContact CG2-CD2 3.95Å; T51-Y57 HydrophobicContact CG2-CE2 3.85Å; T51-I99 HydrophobicContact CG2-CG2 3.97Å; T51-S103 CarbonylContact C-O 3.59Å; T51-S103 WeakPolarHBondContact CA-O 3.38Å; T51-S103 WeakPolarHBondContact CB-O 3.08Å |
| 52 | S | 92.6 | Very high | 90.8 | Very high | 62 Ų | 62 | 44.9 Ų | 44.9 | 43% | 0.434 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -36.1 | 171.3 | 48.9 | 0 | 0 | 0 | 0 | 112.5 | K54 S103 | S52-K54 PolarHBondContact O-N 3.49Å; S52-S103 PolarHBondContact N-O 3.38Å |
| 53 | D | 89.9 | Confident | 90.9 | Very high | 117 Ų | 117 | 44.1 Ų | 44.1 | 63% | 0.626 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | 6.4 | -175.4 | -49.6 | -7.7 | 0 | 0 | 0 | 111.2 | T51 L55 | T51-D53 PolarHBondContact O-N 3.33Å; D53-L55 HydrophobicContact CB-CG 4.37Å; D53-L55 PolarHBondContact O-N 2.97Å |
| 54 | K | 86.8 | Confident | 91 | Very high | 169 Ų | 169 | 42.4 Ų | 42.4 | 74% | 0.735 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 66.7 | 2.4 | -175.9 | -52.2 | 178.5 | -176.5 | 178 | 0 | 115.3 | T51 S52 | T51-K54 WeakPolarHBondContact O-CA 3.26Å; T51-K54 PolarHBondContact O-N 3.29Å; S52-K54 PolarHBondContact O-N 3.49Å |
| 55 | L | 90.3 | Very high | 91 | Very high | 89 Ų | 89 | 39.7 Ų | 39.7 | 47% | 0.466 | 21% | 0.211 | S | C | . | . | trans | -70 | 141.9 | 174.8 | -56.7 | 176.7 | 0 | 0 | 0 | 110.3 | T51 D53 Y57 | T51-L55 PolarHBondContact N-O 3.14Å; T51-L55 PolarHBondContact OG1-N 3.25Å; T51-L55 PolarHBondContact OG1-O 3.35Å; D53-L55 HydrophobicContact CB-CG 4.37Å; D53-L55 PolarHBondContact O-N 2.97Å; L55-Y57 HydrophobicContact CB-CE2 3.84Å; L55-Y57 VanDerWaalsContact CD1-OH 3.31Å; L55-Y57 WeakPolarHBondContact CD1-OH 3.29Å | ||
| 56 | L | 91.5 | Very high | 90.6 | Very high | 17 Ų | 17 | 39.9 Ų | 39.9 | 9% | 0.089 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 133 | 179.8 | -166 | 63.3 | 0 | 0 | 0 | 108.7 | R48 R50 P77 V78 E81 | R48-L56 HydrophobicContact CG-CD1 3.62Å; R48-L56 HydrophobicContact CG-CD2 4.34Å; R48-L56 HydrophobicContact CG-CG 4.06Å; R50-L56 HydrophobicContact CB-CD1 4.06Å; R50-L56 HydrophobicContact CG-CD1 4.43Å; L56-P77 WeakPolarHBondContact O-CA 3.48Å; L56-V78 HydrophobicContact CB-CB 4.16Å; L56-V78 HydrophobicContact CD2-CB 3.95Å; L56-V78 HydrophobicContact CD2-CG1 3.94Å; L56-V78 HydrophobicContact CG-CB 4.1Å; L56-V78 PolarHBondContact O-N 2.97Å; L56-E81 HydrophobicContact CD2-CG 4.01Å |
| 57 | Y | 91.6 | Very high | 90.3 | Very high | 30 Ų | 30 | 41.5 Ų | 41.5 | 12% | 0.118 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 123.5 | -180 | -63.2 | -69.5 | 0 | 0 | 0 | 110.9 | I49 T51 L55 H76 P77 K97 I99 | I49-Y57 PolarHBondContact N-O 3.5Å; I49-Y57 PolarHBondContact O-N 3.42Å; T51-Y57 HydrophobicContact CG2-CD2 3.95Å; T51-Y57 HydrophobicContact CG2-CE2 3.85Å; L55-Y57 HydrophobicContact CB-CE2 3.84Å; L55-Y57 VanDerWaalsContact CD1-OH 3.31Å; L55-Y57 WeakPolarHBondContact CD1-OH 3.29Å; Y57-H76 WeakPolarHBondContact CA-O 3.48Å; Y57-P77 HydrophobicContact CD1-CB 4.3Å; Y57-P77 HydrophobicContact CE1-CB 4.1Å; Y57-K97 PolarHBondContact OH-NZ 3.03Å; Y57-I99 HydrophobicContact CD2-CD1 3.76Å; Y57-I99 HydrophobicContact CG-CD1 4.17Å |
| 58 | D | 91.4 | Very high | 90.1 | Very high | 22 Ų | 22 | 42 Ų | 42 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 137.6 | 173.9 | -81.8 | 28.3 | 0 | 0 | 0 | 109.6 | V47 R48 V75 H76 V78 | V47-D58 WeakPolarHBondContact O-CA 3.34Å; R48-D58 WeakPolarHBondContact CA-OD1 3.5Å; R48-D58 WeakPolarHBondContact CB-OD1 3.29Å; R48-D58 WeakPolarHBondContact CG-OD1 3.42Å; R48-D58 IonicContact CZ-OD1 2.86Å; R48-D58 IonicContact CZ-OD2 2.99Å; R48-D58 VanDerWaalsContact CZ-OD2 3.26Å; R48-D58 VanDerWaalsContact NE-CG 3.33Å; R48-D58 IonicContact NE-OD1 3.14Å; R48-D58 PolarHBondContact NE-OD1 3.23Å; R48-D58 IonicContact NE-OD2 3.81Å; R48-D58 PolarHBondContact NE-OD2 3.46Å; R48-D58 IonicContact NH2-OD1 3.75Å; R48-D58 IonicContact NH2-OD2 3.26Å; R48-D58 PolarHBondContact NH2-OD2 3.29Å; D58-V75 CarbonylContact O-C 3.55Å; D58-V75 VanDerWaalsContact O-CA 3.3Å; D58-V75 WeakPolarHBondContact O-CA 3.33Å; D58-H76 WeakPolarHBondContact CB-CE1 3.34Å; D58-H76 PolarHBondContact N-O 2.96Å; D58-H76 PolarHBondContact O-N 3.47Å; D58-H76 PolarHBondContact O-ND1 3.42Å; D58-V78 HydrophobicContact CB-CG2 3.81Å |
| 59 | G | 90.9 | Very high | 90.2 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 8% | 0.082 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.2 | 179.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V47 R73 | V47-G59 WeakPolarHBondContact CG2-O 3.44Å; V47-G59 PolarHBondContact N-O 3.31Å; V47-G59 PolarHBondContact O-N 2.8Å; V47-G59 VanDerWaalsContact O-O 3.12Å; G59-R73 CarbonylContact C-O 3.53Å; G59-R73 WeakPolarHBondContact CA-O 3.42Å |
| 60 | V | 92 | Very high | 90.2 | Very high | 44 Ų | 44 | 41.2 Ų | 41.2 | 27% | 0.267 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 127.8 | -179.6 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | G44 S45 A62 L72 R73 | G44-V60 WeakPolarHBondContact O-CG1 3.21Å; S45-V60 WeakPolarHBondContact O-CA 3.41Å; V60-A62 PolarHBondContact O-N 2.91Å; V60-A62 VanDerWaalsContact O-N 3.14Å; V60-L72 CarbonylContact O-C 3.51Å; V60-L72 WeakPolarHBondContact O-CA 3.39Å; V60-R73 HydrophobicContact CB-CB 4.46Å; V60-R73 PolarHBondContact N-O 3.48Å; V60-R73 PolarHBondContact O-N 2.8Å |
| 61 | L | 93.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 109.7 | 178 | -174.1 | 64 | 0 | 0 | 0 | 110.7 | L39 L42 M43 G44 S45 V47 L70 L72 | L39-L61 HydrophobicContact CD2-CD2 4.28Å; L42-L61 HydrophobicContact CB-CD2 3.74Å; M43-L61 HydrophobicContact CG-CD2 4.47Å; G44-L61 PolarHBondContact N-O 3.22Å; S45-L61 PolarHBondContact O-N 2.76Å; V47-L61 HydrophobicContact CG1-CB 4.17Å; V47-L61 HydrophobicContact CG2-CB 3.9Å; L61-L70 HydrophobicContact CD1-CB 4.33Å; L61-L70 HydrophobicContact CD1-CD2 4.48Å; L61-L72 HydrophobicContact CB-CD2 4.38Å; L61-L72 HydrophobicContact CD1-CD2 3.96Å |
| 62 | A | 92 | Very high | 90.2 | Very high | 13 Ų | 13 | 37.2 Ų | 37.2 | 11% | 0.107 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -17.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | M43 V60 G71 R73 | M43-A62 WeakPolarHBondContact CE-O 3.32Å; V60-A62 PolarHBondContact O-N 2.91Å; V60-A62 VanDerWaalsContact O-N 3.14Å; A62-G71 WeakPolarHBondContact CB-O 3.48Å; A62-G71 PolarHBondContact N-O 2.85Å; A62-R73 HydrophobicContact CB-CB 4.41Å; A62-R73 HydrophobicContact CB-CG 3.79Å |
| 63 | G | 90.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.1 | -171 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | M43 G71 M881 | M43-G63 VanDerWaalsContact CE-CA 3.43Å; G63-G71 PolarHBondContact N-O 3.41Å; G63-G71 PolarHBondContact O-N 3.38Å; G63-M881 WeakPolarHBondContact CA-O 3.34Å |
| 64 | F | 91.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 162.3 | -177.9 | 56.8 | -82.3 | 0 | 0 | 0 | 112.9 | F30 T36 L39 V40 M43 Y68 D69 L70 M881 | F30-F64 HydrophobicContact CD1-CE2 4.18Å; F30-F64 AromaticContact CE1-CD2 3.83Å; F30-F64 HydrophobicContact CE1-CD2 3.83Å; F30-F64 AromaticContact CE1-CE2 3.46Å; F30-F64 HydrophobicContact CE1-CE2 3.46Å; F30-F64 VanDerWaalsContact CE1-CE2 3.46Å; F30-F64 HydrophobicContact CZ-CD2 4.29Å; F30-F64 AromaticContact CZ-CE2 3.81Å; F30-F64 HydrophobicContact CZ-CE2 3.81Å; T36-F64 HydrophobicContact CG2-CE2 4.17Å; T36-F64 HydrophobicContact CG2-CZ 4Å; L39-F64 HydrophobicContact CB-CD1 3.78Å; L39-F64 HydrophobicContact CB-CE1 3.55Å; L39-F64 HydrophobicContact CB-CG 4.38Å; L39-F64 HydrophobicContact CB-CZ 3.96Å; L39-F64 HydrophobicContact CD1-CD1 4.3Å; L39-F64 HydrophobicContact CD1-CD2 4.11Å; L39-F64 HydrophobicContact CD1-CE2 4.38Å; L39-F64 HydrophobicContact CD1-CG 4.08Å; V40-F64 HydrophobicContact CG2-CE1 4.03Å; V40-F64 HydrophobicContact CG2-CZ 3.91Å; M43-F64 HydrophobicContact SD-CD1 4.4Å; M43-F64 HydrophobicContact SD-CE1 4.11Å; F64-Y68 HydrophobicContact CD2-CD1 4.1Å; F64-Y68 HydrophobicContact CE2-CD1 4.24Å; F64-Y68 HydrophobicContact CE2-CE1 4.4Å; F64-D69 CarbonylContact C-O 3.58Å; F64-D69 WeakPolarHBondContact CA-O 3.37Å; F64-D69 WeakPolarHBondContact CB-O 3.47Å; F64-L70 HydrophobicContact CB-CD2 3.89Å; F64-M881 WeakPolarHBondContact O-CB 3.47Å |
| 65 | T | 86.8 | Confident | 90.3 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | trans | -88.3 | 170.1 | 175.8 | 69.2 | 0 | 0 | 0 | 0 | 112.2 | F30 N67 Y68 D69 Y880 | F30-T65 WeakPolarHBondContact CE1-O 3.46Å; T65-N67 PolarHBondContact O-N 2.99Å; T65-N67 VanDerWaalsContact O-N 3.15Å; T65-N67 PolarHBondContact OG1-N 3.18Å; T65-Y68 WeakPolarHBondContact O-CA 3.42Å; T65-Y68 PolarHBondContact O-N 3.2Å; T65-Y68 PolarHBondContact OG1-N 2.76Å; T65-D69 HydrophobicContact CG2-CB 3.87Å; T65-D69 PolarHBondContact N-O 3.44Å; T65-D69 WeakPolarHBondContact OG1-CB 3.49Å; T65-D69 VanDerWaalsContact OG1-CG 3.3Å; T65-D69 PolarHBondContact OG1-N 2.89Å; T65-D69 PolarHBondContact OG1-OD2 3.27Å; T65-Y880 HydrophobicContact CG2-CD1 3.44Å; T65-Y880 VanDerWaalsContact CG2-CD1 3.44Å; T65-Y880 HydrophobicContact CG2-CD2 4.49Å; T65-Y880 HydrophobicContact CG2-CE1 3.25Å; T65-Y880 HydrophobicContact CG2-CE2 4.34Å; T65-Y880 HydrophobicContact CG2-CG 4.08Å | ||
| 66 | G | 80.1 | Confident | 90.3 | Very high | 41 Ų | 41 | 27.6 Ų | 27.6 | 42% | 0.423 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -21.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y68 | G66-Y68 VanDerWaalsContact C-N 3.34Š|
| 67 | N | 83.4 | Confident | 90.1 | Very high | 106 Ų | 106 | 29.7 Ų | 29.7 | 57% | 0.567 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 6.1 | 174 | -60.4 | -34 | 0 | 0 | 0 | 113 | T65 D69 F101 | T65-N67 PolarHBondContact O-N 2.99Å; T65-N67 VanDerWaalsContact O-N 3.15Å; T65-N67 PolarHBondContact OG1-N 3.18Å; N67-D69 VanDerWaalsContact C-N 3.32Å; N67-D69 PolarHBondContact O-N 2.98Å; N67-F101 VanDerWaalsContact O-CB 3.26Å; N67-F101 WeakPolarHBondContact O-CB 3.22Å |
| 68 | Y | 87.9 | Confident | 89.8 | Confident | 13 Ų | 13 | 29 Ų | 29 | 5% | 0.051 | 17% | 0.167 | C | C | . | . | trans | 65.3 | 21.7 | -172.9 | -51.7 | -79.4 | 0 | 0 | 0 | 115.7 | F30 T31 N32 L35 T36 L39 F64 T65 G66 L70 F101 | F30-Y68 HydrophobicContact CD1-CD1 4.39Å; F30-Y68 AromaticContact CD1-CE1 3.65Å; F30-Y68 HydrophobicContact CD1-CE1 3.65Å; F30-Y68 AromaticContact CD1-CZ 3.79Å; F30-Y68 HydrophobicContact CE1-CE1 4.23Å; T31-Y68 PolarHBondContact N-OH 2.94Å; N32-Y68 HydrophobicContact CB-CE2 4.27Å; N32-Y68 PolarHBondContact N-OH 2.83Å; N32-Y68 PolarHBondContact O-OH 2.81Å; L35-Y68 HydrophobicContact CB-CE1 4.31Å; L35-Y68 HydrophobicContact CD2-CD1 3.62Å; L35-Y68 HydrophobicContact CD2-CD2 3.84Å; L35-Y68 HydrophobicContact CD2-CE1 3.87Å; L35-Y68 HydrophobicContact CD2-CE2 4.11Å; L35-Y68 HydrophobicContact CD2-CG 3.59Å; L35-Y68 HydrophobicContact CG-CD1 3.78Å; L35-Y68 HydrophobicContact CG-CE1 3.87Å; L35-Y68 HydrophobicContact CG-CG 4.27Å; T36-Y68 WeakPolarHBondContact OG1-CE1 3.49Å; T36-Y68 PolarHBondContact OG1-OH 2.69Å; L39-Y68 HydrophobicContact CD1-CD1 3.77Å; F64-Y68 HydrophobicContact CD2-CD1 4.1Å; F64-Y68 HydrophobicContact CE2-CD1 4.24Å; F64-Y68 HydrophobicContact CE2-CE1 4.4Å; T65-Y68 WeakPolarHBondContact O-CA 3.42Å; T65-Y68 PolarHBondContact O-N 3.2Å; T65-Y68 PolarHBondContact OG1-N 2.76Å; G66-Y68 VanDerWaalsContact C-N 3.34Å; Y68-L70 VanDerWaalsContact O-CD2 3.29Å; Y68-L70 WeakPolarHBondContact O-CD2 3.19Å; Y68-L70 WeakPolarHBondContact O-CG 3.36Å; Y68-L70 PolarHBondContact O-N 2.8Å; Y68-F101 WeakPolarHBondContact O-CD2 3.46Å | ||
| 69 | D | 92 | Very high | 89 | Confident | 27 Ų | 27 | 32 Ų | 32 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 128.7 | 171.8 | -48.2 | -61.8 | 0 | 0 | 0 | 109.3 | F64 T65 N67 V98 P100 F101 | F64-D69 CarbonylContact C-O 3.58Å; F64-D69 WeakPolarHBondContact CA-O 3.37Å; F64-D69 WeakPolarHBondContact CB-O 3.47Å; T65-D69 HydrophobicContact CG2-CB 3.87Å; T65-D69 PolarHBondContact N-O 3.44Å; T65-D69 WeakPolarHBondContact OG1-CB 3.49Å; T65-D69 VanDerWaalsContact OG1-CG 3.3Å; T65-D69 PolarHBondContact OG1-N 2.89Å; T65-D69 PolarHBondContact OG1-OD2 3.27Å; N67-D69 VanDerWaalsContact C-N 3.32Å; N67-D69 PolarHBondContact O-N 2.98Å; D69-V98 HydrophobicContact CB-CG1 4.14Å; D69-P100 VanDerWaalsContact OD1-CA 3.22Å; D69-P100 WeakPolarHBondContact OD1-CA 3.43Å; D69-F101 PolarHBondContact OD1-N 3.22Å |
| 70 | L | 93.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 120.6 | -165.3 | -56.5 | 179.9 | 0 | 0 | 0 | 111.1 | L39 I49 L61 F64 Y68 V98 I99 V104 V107 | L39-L70 HydrophobicContact CD1-CD2 3.83Å; L39-L70 HydrophobicContact CD2-CD2 3.71Å; L39-L70 HydrophobicContact CG-CD2 4.41Å; I49-L70 HydrophobicContact CD1-CB 4.26Å; I49-L70 HydrophobicContact CD1-CD1 3.66Å; L61-L70 HydrophobicContact CD1-CB 4.33Å; L61-L70 HydrophobicContact CD1-CD2 4.48Å; F64-L70 HydrophobicContact CB-CD2 3.89Å; Y68-L70 VanDerWaalsContact O-CD2 3.29Å; Y68-L70 WeakPolarHBondContact O-CD2 3.19Å; Y68-L70 WeakPolarHBondContact O-CG 3.36Å; Y68-L70 PolarHBondContact O-N 2.8Å; L70-V98 CarbonylContact O-C 3.54Å; L70-V98 WeakPolarHBondContact O-CA 3.3Å; L70-I99 PolarHBondContact N-O 3.44Å; L70-I99 PolarHBondContact O-N 2.78Å; L70-V104 HydrophobicContact CD1-CG1 4.3Å; L70-V104 HydrophobicContact CD1-CG2 3.97Å; L70-V104 HydrophobicContact CG-CG2 4.5Å; L70-V107 HydrophobicContact CD1-CG2 3.61Å |
| 71 | G | 93 | Very high | 86.6 | Confident | 12 Ų | 12 | 40.1 Ų | 40.1 | 12% | 0.124 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 117.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | A62 G63 | A62-G71 WeakPolarHBondContact CB-O 3.48Å; A62-G71 PolarHBondContact N-O 2.85Å; G63-G71 PolarHBondContact N-O 3.41Å; G63-G71 PolarHBondContact O-N 3.38Å |
| 72 | L | 93.6 | Very high | 85 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 149.9 | 174.7 | -60.3 | -175.3 | 0 | 0 | 0 | 111.5 | V47 I49 V60 L61 V75 R96 K97 I99 | V47-L72 HydrophobicContact CG2-CD2 3.46Å; V47-L72 VanDerWaalsContact CG2-CD2 3.46Å; I49-L72 HydrophobicContact CD1-CD1 4Å; I49-L72 HydrophobicContact CD1-CD2 3.85Å; I49-L72 HydrophobicContact CD1-CG 4.21Å; I49-L72 HydrophobicContact CG1-CD1 4.34Å; V60-L72 CarbonylContact O-C 3.51Å; V60-L72 WeakPolarHBondContact O-CA 3.39Å; L61-L72 HydrophobicContact CB-CD2 4.38Å; L61-L72 HydrophobicContact CD1-CD2 3.96Å; L72-V75 HydrophobicContact CB-CB 4.39Å; L72-V75 HydrophobicContact CB-CG1 4.09Å; L72-V75 HydrophobicContact CB-CG2 3.42Å; L72-V75 VanDerWaalsContact CB-CG2 3.42Å; L72-V75 HydrophobicContact CD1-CG1 3.75Å; L72-R96 CarbonylContact O-C 3.35Å; L72-R96 VanDerWaalsContact O-CA 3.29Å; L72-R96 WeakPolarHBondContact O-CA 3.49Å; L72-K97 PolarHBondContact N-O 2.59Å; L72-K97 PolarHBondContact O-N 3.43Å; L72-I99 HydrophobicContact CD1-CD1 3.85Å |
| 73 | R | 91.6 | Very high | 83.5 | Confident | 82 Ų | 82 | 47.2 Ų | 47.2 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 156 | 166.7 | -83.3 | 172.1 | 177.5 | 153 | 0.4 | 110.3 | G59 V60 A62 V75 E95 R96 Q882 Y883 | G59-R73 CarbonylContact C-O 3.53Å; G59-R73 WeakPolarHBondContact CA-O 3.42Å; V60-R73 HydrophobicContact CB-CB 4.46Å; V60-R73 PolarHBondContact N-O 3.48Å; V60-R73 PolarHBondContact O-N 2.8Å; A62-R73 HydrophobicContact CB-CB 4.41Å; A62-R73 HydrophobicContact CB-CG 3.79Å; R73-V75 VanDerWaalsContact C-N 3.33Å; R73-V75 PolarHBondContact O-N 3.19Å; R73-E95 CarbonylContact C-O 3.58Å; R73-E95 VanDerWaalsContact CA-O 3.26Å; R73-E95 WeakPolarHBondContact CA-O 3.46Å; R73-R96 HydrophobicContact CG-CG 3.81Å; R73-Q882 VanDerWaalsContact NH2-CG 3.31Å; R73-Y883 PolarHBondContact NH1-O 3.04Å; R73-Y883 PolarHBondContact NH2-O 3.33Å |
| 74 | M | 88.9 | Confident | 81.9 | Confident | 118 Ų | 118 | 49.5 Ų | 49.5 | 58% | 0.581 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51 | 51.2 | 177.1 | -59.8 | -57.1 | -63 | 0 | 0 | 112.5 | E95 | M74-E95 PolarHBondContact N-O 3Å |
| 75 | V | 90.9 | Very high | 80.2 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 126.9 | -164.3 | -157.8 | 0 | 0 | 0 | 0 | 110.1 | D58 L72 R73 F94 K97 | D58-V75 CarbonylContact O-C 3.55Å; D58-V75 VanDerWaalsContact O-CA 3.3Å; D58-V75 WeakPolarHBondContact O-CA 3.33Å; L72-V75 HydrophobicContact CB-CB 4.39Å; L72-V75 HydrophobicContact CB-CG1 4.09Å; L72-V75 HydrophobicContact CB-CG2 3.42Å; L72-V75 VanDerWaalsContact CB-CG2 3.42Å; L72-V75 HydrophobicContact CD1-CG1 3.75Å; R73-V75 VanDerWaalsContact C-N 3.33Å; R73-V75 PolarHBondContact O-N 3.19Å; V75-F94 HydrophobicContact CB-CB 4.35Å; V75-F94 PolarHBondContact N-O 2.99Å; V75-F94 WeakPolarHBondContact O-CD2 3.47Å; V75-F94 PolarHBondContact O-N 3.24Å; V75-K97 HydrophobicContact CB-CB 4.26Å; V75-K97 HydrophobicContact CG1-CB 4.31Å; V75-K97 HydrophobicContact CG1-CD 4.37Å; V75-K97 HydrophobicContact CG2-CB 3.88Å |
| 76 | H | 90.2 | Very high | 78.9 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 17% | 0.167 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 149.1 | 172.3 | 61.6 | -75.8 | 0 | 0 | 0 | 110.7 | Y57 D58 P88 | Y57-H76 WeakPolarHBondContact CA-O 3.48Å; D58-H76 WeakPolarHBondContact CB-CE1 3.34Å; D58-H76 PolarHBondContact N-O 2.96Å; D58-H76 PolarHBondContact O-N 3.47Å; D58-H76 PolarHBondContact O-ND1 3.42Å; H76-P88 HydrophobicContact CB-CB 3.87Å; H76-P88 HydrophobicContact CB-CG 4.21Å |
| 77 | P | 88.6 | Confident | 78.5 | Confident | 60 Ų | 60 | 67.5 Ų | 67.5 | 39% | 0.39 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 132.9 | 167.5 | 31.7 | -30.1 | 0 | 0 | 0 | 109 | L56 Y57 E92 | L56-P77 WeakPolarHBondContact O-CA 3.48Å; Y57-P77 HydrophobicContact CD1-CB 4.3Å; Y57-P77 HydrophobicContact CE1-CB 4.1Å; P77-E92 WeakPolarHBondContact CD-O 3.48Å |
| 78 | V | 85.2 | Confident | 78 | Confident | 16 Ų | 16 | 64.4 Ų | 64.4 | 10% | 0.097 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 123.8 | 171.3 | -179.6 | 0 | 0 | 0 | 0 | 107.7 | L56 D58 D80 | L56-V78 HydrophobicContact CB-CB 4.16Å; L56-V78 HydrophobicContact CD2-CB 3.95Å; L56-V78 HydrophobicContact CD2-CG1 3.94Å; L56-V78 HydrophobicContact CG-CB 4.1Å; L56-V78 PolarHBondContact O-N 2.97Å; D58-V78 HydrophobicContact CB-CG2 3.81Å; V78-D80 VanDerWaalsContact CG1-O 3.31Å; V78-D80 WeakPolarHBondContact CG1-O 3.3Å |
| 79 | A | 74.2 | Confident | 77.4 | Confident | 86 Ų | 86 | 66.8 Ų | 66.8 | 71% | 0.711 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -72.7 | -52.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 80 | D | 68.2 | Low | 76.7 | Confident | 103 Ų | 103 | 75.2 Ų | 75.2 | 55% | 0.551 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -126.6 | 148.2 | 177 | -83.8 | -57.4 | 0 | 0 | 0 | 111.4 | V78 S82 D83 | V78-D80 VanDerWaalsContact CG1-O 3.31Å; V78-D80 WeakPolarHBondContact CG1-O 3.3Å; D80-S82 PolarHBondContact O-N 2.96Å; D80-D83 PolarHBondContact O-N 3.22Å |
| 81 | E | 64.6 | Low | 76.1 | Confident | 119 Ų | 119 | 82.4 Ų | 82.4 | 56% | 0.556 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -14.3 | 177.4 | -74.4 | 177.4 | -148.6 | 0 | 0 | 113.4 | R50 L56 | R50-E81 IonicContact CZ-OE1 2.7Å; R50-E81 IonicContact NH1-OE1 3.07Å; R50-E81 PolarHBondContact NH1-OE1 3.21Å; R50-E81 IonicContact NH1-OE2 2.69Å; R50-E81 IonicContact NH2-OE1 2.66Å; R50-E81 PolarHBondContact NH2-OE1 3.15Å; L56-E81 HydrophobicContact CD2-CG 4.01Å |
| 82 | S | 59.8 | Low | 75.5 | Confident | 101 Ų | 101 | 86.3 Ų | 86.3 | 71% | 0.706 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -14.1 | 175.8 | 49.2 | 0 | 0 | 0 | 0 | 115.4 | D80 G84 | D80-S82 PolarHBondContact O-N 2.96Å; S82-G84 PolarHBondContact O-N 3.31Å |
| 83 | D | 59.3 | Low | 75 | Confident | 62 Ų | 62 | 88.3 Ų | 88.3 | 33% | 0.332 | 48% | 0.48 | S | S | . | . | trans | -77.6 | 31.9 | -176.8 | -80.2 | -21.5 | 0 | 0 | 0 | 113.3 | D80 D85 M86 | D80-D83 PolarHBondContact O-N 3.22Å; D83-D85 PolarHBondContact O-N 2.95Å; D83-D85 VanDerWaalsContact O-N 3.09Å; D83-M86 HydrophobicContact CB-CB 4.25Å; D83-M86 HydrophobicContact CB-CG 4.33Å; D83-M86 PolarHBondContact O-N 3.45Å; D83-M86 VanDerWaalsContact O-N 3.15Å | ||
| 84 | G | 56.5 | Low | 74.8 | Confident | 50 Ų | 50 | 89.4 Ų | 89.4 | 52% | 0.515 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S82 | S82-G84 PolarHBondContact O-N 3.31Š|
| 85 | D | 56.3 | Low | 74.8 | Confident | 163 Ų | 163 | 89.6 Ų | 89.6 | 87% | 0.872 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -3.6 | -178.6 | -56.9 | -38.2 | 0 | 0 | 0 | 113.4 | D83 V87 | D83-D85 PolarHBondContact O-N 2.95Å; D83-D85 VanDerWaalsContact O-N 3.09Å; D85-V87 PolarHBondContact O-N 3.19Å |
| 86 | M | 60.1 | Low | 74.8 | Confident | 136 Ų | 136 | 95.1 Ų | 95.1 | 67% | 0.67 | 51% | 0.508 | S | S | * | . | trans | -81.3 | 108.6 | 179.1 | -81 | -73.4 | 178.6 | 0 | 0 | 110.6 | D83 P88 | D83-M86 HydrophobicContact CB-CB 4.25Å; D83-M86 HydrophobicContact CB-CG 4.33Å; D83-M86 PolarHBondContact O-N 3.45Å; D83-M86 VanDerWaalsContact O-N 3.15Å; M86-P88 WeakPolarHBondContact O-CD 3.42Å | ||
| 87 | V | 70.4 | Confident | 74.9 | Confident | 125 Ų | 125 | 96.1 Ų | 96.1 | 76% | 0.758 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 119.5 | 171.1 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | D85 | D85-V87 PolarHBondContact O-N 3.19Š|
| 88 | P | 73.1 | Confident | 75.1 | Confident | 42 Ų | 42 | 96.2 Ų | 96.2 | 27% | 0.273 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 148.8 | -175.4 | 27.9 | -37.1 | 0 | 0 | 0 | 111.7 | H76 M86 | H76-P88 HydrophobicContact CB-CB 3.87Å; H76-P88 HydrophobicContact CB-CG 4.21Å; M86-P88 WeakPolarHBondContact O-CD 3.42Å |
| 89 | T | 76.2 | Confident | 75.5 | Confident | 63 Ų | 63 | 95.7 Ų | 95.7 | 39% | 0.387 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 160.5 | 176 | 68.4 | 0 | 0 | 0 | 0 | 111.1 | E91 E92 C93 | T89-E91 PolarHBondContact O-N 3.27Å; T89-E92 WeakPolarHBondContact CB-OE2 3.43Å; T89-E92 WeakPolarHBondContact CG2-OE2 3.39Å; T89-E92 PolarHBondContact N-OE2 2.74Å; T89-E92 PolarHBondContact O-N 3.38Å; T89-E92 VanDerWaalsContact OG1-CG 3.29Å; T89-E92 WeakPolarHBondContact OG1-CG 3.44Å; T89-E92 PolarHBondContact OG1-N 3.09Å; T89-E92 PolarHBondContact OG1-OE2 3.02Å; T89-C93 PolarHBondContact O-N 3.23Å; T89-C93 PolarHBondContact O-SG 3.16Å |
| 90 | R | 77.6 | Confident | 76.4 | Confident | 204 Ų | 204 | 94.4 Ų | 94.4 | 77% | 0.77 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -29.5 | -179.8 | -175.4 | 178.3 | 177.9 | -167.4 | -2.2 | 111.3 | E92 | R90-E92 VanDerWaalsContact C-N 3.34Š|
| 91 | E | 80 | Confident | 77.5 | Confident | 151 Ų | 151 | 92.3 Ų | 92.3 | 71% | 0.706 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -26.1 | -178.8 | -65.2 | 65.4 | -148.6 | 0 | 0 | 112.4 | T89 | T89-E91 PolarHBondContact O-N 3.27Š|
| 92 | E | 80.1 | Confident | 78.8 | Confident | 95 Ų | 95 | 92 Ų | 92 | 44% | 0.444 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -14.7 | 178 | -68.9 | 160.6 | 145.5 | 0 | 0 | 113.2 | P77 T89 R90 F94 | P77-E92 WeakPolarHBondContact CD-O 3.48Å; T89-E92 WeakPolarHBondContact CB-OE2 3.43Å; T89-E92 WeakPolarHBondContact CG2-OE2 3.39Å; T89-E92 PolarHBondContact N-OE2 2.74Å; T89-E92 PolarHBondContact O-N 3.38Å; T89-E92 VanDerWaalsContact OG1-CG 3.29Å; T89-E92 WeakPolarHBondContact OG1-CG 3.44Å; T89-E92 PolarHBondContact OG1-N 3.09Å; T89-E92 PolarHBondContact OG1-OE2 3.02Å; R90-E92 VanDerWaalsContact C-N 3.34Å; E92-F94 PolarHBondContact O-N 3.5Å |
| 93 | C | 84.2 | Confident | 80.3 | Confident | 42 Ų | 42 | 88.1 Ų | 88.1 | 28% | 0.284 | 46% | 0.461 | S | S | . | . | trans | -85 | 107.6 | -178.1 | -70.1 | 0 | 0 | 0 | 0 | 112.9 | T89 | T89-C93 PolarHBondContact O-N 3.23Å; T89-C93 PolarHBondContact O-SG 3.16Å | ||
| 94 | F | 87.3 | Confident | 81.9 | Confident | 105 Ų | 105 | 85.9 Ų | 85.9 | 46% | 0.461 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 128.1 | 168.5 | -52.9 | -79.3 | 0 | 0 | 0 | 111.1 | V75 E92 R96 | V75-F94 HydrophobicContact CB-CB 4.35Å; V75-F94 PolarHBondContact N-O 2.99Å; V75-F94 WeakPolarHBondContact O-CD2 3.47Å; V75-F94 PolarHBondContact O-N 3.24Å; E92-F94 PolarHBondContact O-N 3.5Å; F94-R96 VanDerWaalsContact C-N 3.32Å; F94-R96 PolarHBondContact O-N 3.34Å |
| 95 | E | 88.9 | Confident | 83.6 | Confident | 123 Ų | 123 | 86.9 Ų | 86.9 | 58% | 0.575 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.8 | -44 | 178.9 | -168.5 | -150.4 | 109.9 | 0 | 0 | 112.6 | R73 M74 | R73-E95 CarbonylContact C-O 3.58Å; R73-E95 VanDerWaalsContact CA-O 3.26Å; R73-E95 WeakPolarHBondContact CA-O 3.46Å; M74-E95 PolarHBondContact N-O 3Å |
| 96 | R | 90.5 | Very high | 85.3 | Confident | 116 Ų | 116 | 80 Ų | 80 | 44% | 0.438 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 144.6 | 178.9 | -82.8 | 177.3 | -87.8 | -177 | 1.1 | 111 | L72 R73 F94 | L72-R96 CarbonylContact O-C 3.35Å; L72-R96 VanDerWaalsContact O-CA 3.29Å; L72-R96 WeakPolarHBondContact O-CA 3.49Å; R73-R96 HydrophobicContact CG-CG 3.81Å; F94-R96 VanDerWaalsContact C-N 3.32Å; F94-R96 PolarHBondContact O-N 3.34Å |
| 97 | K | 91.7 | Very high | 86.8 | Confident | 57 Ų | 57 | 73.6 Ų | 73.6 | 25% | 0.248 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 142.7 | 173.4 | -172.3 | 172.7 | 179.8 | 172.1 | 0 | 111 | Y57 L72 V75 | Y57-K97 PolarHBondContact OH-NZ 3.03Å; L72-K97 PolarHBondContact N-O 2.59Å; L72-K97 PolarHBondContact O-N 3.43Å; V75-K97 HydrophobicContact CB-CB 4.26Å; V75-K97 HydrophobicContact CG1-CB 4.31Å; V75-K97 HydrophobicContact CG1-CD 4.37Å; V75-K97 HydrophobicContact CG2-CB 3.88Å |
| 98 | V | 92.7 | Very high | 87.7 | Confident | 62 Ų | 62 | 71.5 Ų | 71.5 | 38% | 0.376 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 135 | 168.8 | 178.3 | 0 | 0 | 0 | 0 | 109.3 | D69 L70 Y880 | D69-V98 HydrophobicContact CB-CG1 4.14Å; L70-V98 CarbonylContact O-C 3.54Å; L70-V98 WeakPolarHBondContact O-CA 3.3Å; V98-Y880 HydrophobicContact CB-CE1 4.32Å; V98-Y880 HydrophobicContact CG1-CE1 3.73Å; V98-Y880 HydrophobicContact CG2-CD1 4.26Å; V98-Y880 HydrophobicContact CG2-CE1 3.58Å |
| 99 | I | 92.7 | Very high | 88.2 | Confident | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 115.7 | 173.7 | -59.8 | 177.7 | 0 | 0 | 0 | 107.6 | I49 T51 Y57 L70 L72 S103 V104 | I49-I99 HydrophobicContact CB-CD1 4.2Å; I49-I99 HydrophobicContact CD1-CD1 4.46Å; I49-I99 HydrophobicContact CG2-CD1 3.95Å; I49-I99 HydrophobicContact CG2-CG2 4.45Å; T51-I99 HydrophobicContact CG2-CG2 3.97Å; Y57-I99 HydrophobicContact CD2-CD1 3.76Å; Y57-I99 HydrophobicContact CG-CD1 4.17Å; L70-I99 PolarHBondContact N-O 3.44Å; L70-I99 PolarHBondContact O-N 2.78Å; L72-I99 HydrophobicContact CD1-CD1 3.85Å; I99-S103 WeakPolarHBondContact CG2-OG 3.49Å; I99-V104 HydrophobicContact CG2-CG2 3.82Å |
| 100 | P | 93.4 | Very high | 88 | Confident | 59 Ų | 59 | 73 Ų | 73 | 38% | 0.383 | 37% | 0.373 | S | S | . | . | trans | -69.7 | 142 | -176.1 | 28 | -33.4 | 0 | 0 | 0 | 111.2 | D69 S102 S103 | D69-P100 VanDerWaalsContact OD1-CA 3.22Å; D69-P100 WeakPolarHBondContact OD1-CA 3.43Å; P100-S102 PolarHBondContact O-N 2.87Å; P100-S102 VanDerWaalsContact O-N 3.16Å; P100-S103 WeakPolarHBondContact CD-OG 3.32Å; P100-S103 WeakPolarHBondContact O-CB 3.3Å; P100-S103 PolarHBondContact O-N 3.18Å; P100-S103 PolarHBondContact O-OG 2.66Å | ||
| 101 | F | 91.5 | Very high | 87.4 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 26% | 0.263 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -59.2 | -35.3 | -170.5 | -172.7 | -115 | 0 | 0 | 0 | 113.2 | L35 N67 Y68 D69 S103 V104 F594 | L35-F101 HydrophobicContact CD2-CE2 3.83Å; L35-F101 HydrophobicContact CD2-CZ 3.67Å; N67-F101 VanDerWaalsContact O-CB 3.26Å; N67-F101 WeakPolarHBondContact O-CB 3.22Å; Y68-F101 WeakPolarHBondContact O-CD2 3.46Å; D69-F101 PolarHBondContact OD1-N 3.22Å; F101-S103 PolarHBondContact O-N 2.94Å; F101-S103 VanDerWaalsContact O-N 3.09Å; F101-V104 PolarHBondContact O-N 3.27Å; F101-F594 HydrophobicContact CE2-CD2 4.15Å; F101-F594 HydrophobicContact CE2-CE2 4.02Å; F101-F594 HydrophobicContact CE2-CZ 4.48Å; F101-F594 HydrophobicContact CZ-CD2 4.29Å; F101-F594 HydrophobicContact CZ-CG 4.45Å |
| 102 | S | 91.6 | Very high | 86.5 | Confident | 113 Ų | 113 | 63.9 Ų | 63.9 | 79% | 0.79 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -61.4 | -15.4 | 175.7 | 56.6 | 0 | 0 | 0 | 0 | 114.7 | P100 | P100-S102 PolarHBondContact O-N 2.87Å; P100-S102 VanDerWaalsContact O-N 3.16Å |
| 103 | S | 93.1 | Very high | 85.5 | Confident | 18 Ų | 18 | 63.7 Ų | 63.7 | 13% | 0.126 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -99.2 | -6.7 | 174.2 | 72.6 | 0 | 0 | 0 | 0 | 113.7 | T51 S52 I99 P100 F101 | T51-S103 CarbonylContact C-O 3.59Å; T51-S103 WeakPolarHBondContact CA-O 3.38Å; T51-S103 WeakPolarHBondContact CB-O 3.08Å; S52-S103 PolarHBondContact N-O 3.38Å; I99-S103 WeakPolarHBondContact CG2-OG 3.49Å; P100-S103 WeakPolarHBondContact CD-OG 3.32Å; P100-S103 WeakPolarHBondContact O-CB 3.3Å; P100-S103 PolarHBondContact O-N 3.18Å; P100-S103 PolarHBondContact O-OG 2.66Å; F101-S103 PolarHBondContact O-N 2.94Å; F101-S103 VanDerWaalsContact O-N 3.09Å |
| 104 | V | 92 | Very high | 84.1 | Confident | 16 Ų | 16 | 68 Ų | 68 | 10% | 0.097 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 122.3 | -175.4 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | I49 L70 I99 F101 V107 F594 | I49-V104 HydrophobicContact CG2-CG1 4.29Å; I49-V104 HydrophobicContact CG2-CG2 4.43Å; L70-V104 HydrophobicContact CD1-CG1 4.3Å; L70-V104 HydrophobicContact CD1-CG2 3.97Å; L70-V104 HydrophobicContact CG-CG2 4.5Å; I99-V104 HydrophobicContact CG2-CG2 3.82Å; F101-V104 PolarHBondContact O-N 3.27Å; V104-V107 HydrophobicContact CG1-CG2 3.76Å; V104-F594 HydrophobicContact CG1-CD2 4.36Å; V104-F594 HydrophobicContact CG1-CE2 3.98Å |
| 105 | V | 92.4 | Very high | 82.5 | Confident | 70 Ų | 70 | 66.9 Ų | 66.9 | 42% | 0.424 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | -44.7 | 175.3 | 173.5 | 0 | 0 | 0 | 0 | 111 | R50 | R50-V105 PolarHBondContact O-N 2.9Å |
| 106 | S | 91.1 | Very high | 80.8 | Confident | 18 Ų | 18 | 65.8 Ų | 65.8 | 13% | 0.126 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 143.7 | 176.6 | 60.9 | 0 | 0 | 0 | 0 | 111.5 | R50 | R50-S106 WeakPolarHBondContact CB-OG 3.37Å; R50-S106 PolarHBondContact N-O 3.49Å; R50-S106 PolarHBondContact O-N 2.92Å |
| 107 | V | 91.4 | Very high | 79.1 | Confident | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.018 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 121.5 | 167.2 | -177.6 | 0 | 0 | 0 | 0 | 107.5 | L42 V47 I49 L70 V104 F594 | L42-V107 HydrophobicContact CD1-CG1 4.12Å; V47-V107 HydrophobicContact CB-CG1 4.18Å; V47-V107 HydrophobicContact CG1-CG1 4.26Å; I49-V107 HydrophobicContact CD1-CG1 4.45Å; I49-V107 HydrophobicContact CD1-CG2 4.17Å; I49-V107 HydrophobicContact CG1-CG1 4.26Å; I49-V107 HydrophobicContact CG1-CG2 4.24Å; L70-V107 HydrophobicContact CD1-CG2 3.61Å; V104-V107 HydrophobicContact CG1-CG2 3.76Å; V107-F594 HydrophobicContact CG2-CE2 4.41Å |
| 108 | Q | 89.1 | Confident | 77.3 | Confident | 81 Ų | 81 | 66.7 Ų | 66.7 | 38% | 0.379 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 147.6 | 171.9 | -67.5 | 172.6 | -15.5 | 0 | 0 | 108.3 | V47 R48 | V47-Q108 CarbonylContact C-O 3.34Å; V47-Q108 WeakPolarHBondContact CA-O 3.42Å; V47-Q108 WeakPolarHBondContact CB-O 3.43Å; R48-Q108 HydrophobicContact CB-CB 4.3Å; R48-Q108 PolarHBondContact N-O 3.38Å; R48-Q108 PolarHBondContact O-N 3.41Å |
| 109 | A | 85.2 | Confident | 75.3 | Confident | 34 Ų | 34 | 71.1 Ų | 71.1 | 28% | 0.281 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | L42 V47 V111 | L42-A109 HydrophobicContact CD1-CB 4.15Å; L42-A109 HydrophobicContact CD2-CB 3.38Å; L42-A109 HydrophobicContact CG-CB 4.37Å; V47-A109 HydrophobicContact CG1-CB 4.13Å; A109-V111 VanDerWaalsContact C-N 3.25Å; A109-V111 HydrophobicContact CB-CG2 4.11Å; A109-V111 PolarHBondContact O-N 3.07Å |
| 110 | V | 71 | Confident | 73.3 | Confident | 103 Ų | 103 | 75.1 Ų | 75.1 | 62% | 0.624 | 44% | 0.438 | S | S | * | . | trans | -85.9 | 76.8 | 177.6 | -173.8 | 0 | 0 | 0 | 0 | 107.8 | S46 D112 | S46-V110 PolarHBondContact O-N 3.3Å; V110-D112 PolarHBondContact O-N 3.38Å | ||
| 111 | V | 65.6 | Low | 71.5 | Confident | 82 Ų | 82 | 82 Ų | 82 | 50% | 0.497 | 46% | 0.462 | S | S | . | . | trans | -88.3 | 96.8 | 172 | -175.4 | 0 | 0 | 0 | 0 | 107.8 | A109 M113 V116 | A109-V111 VanDerWaalsContact C-N 3.25Å; A109-V111 HydrophobicContact CB-CG2 4.11Å; A109-V111 PolarHBondContact O-N 3.07Å; V111-M113 HydrophobicContact CG1-CG 4.39Å; V111-M113 PolarHBondContact O-N 2.99Å; V111-V116 HydrophobicContact CG1-CG2 4.45Å | ||
| 112 | D | 60.3 | Low | 70.3 | Confident | 81 Ų | 81 | 81.9 Ų | 81.9 | 43% | 0.433 | 47% | 0.469 | S | S | . | . | trans | -67.7 | 94.7 | 172.1 | -176.8 | -25.6 | 0 | 0 | 0 | 109.4 | V110 E114 T115 V116 | V110-D112 PolarHBondContact O-N 3.38Å; D112-E114 PolarHBondContact O-N 2.81Å; D112-E114 WeakPolarHBondContact OD1-CA 3.02Å; D112-E114 WeakPolarHBondContact OD1-CB 3.07Å; D112-E114 PolarHBondContact OD1-N 2.8Å; D112-T115 HydrophobicContact CB-CG2 4.23Å; D112-T115 PolarHBondContact O-N 2.91Å; D112-T115 PolarHBondContact O-OG1 3.04Å; D112-T115 PolarHBondContact OD1-N 3.06Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.38Å; D112-V116 WeakPolarHBondContact O-CG2 3.47Å; D112-V116 PolarHBondContact O-N 2.82Å | ||
| 113 | M | 60.6 | Low | 69 | Low | 91 Ų | 91 | 79.2 Ų | 79.2 | 45% | 0.448 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67 | -16.3 | 179.2 | -68.2 | -162.4 | -65.4 | 0 | 0 | 113.3 | V111 T117 | V111-M113 HydrophobicContact CG1-CG 4.39Å; V111-M113 PolarHBondContact O-N 2.99Å; M113-T117 VanDerWaalsContact O-CB 3.28Å; M113-T117 WeakPolarHBondContact O-CB 3.47Å; M113-T117 VanDerWaalsContact O-CG2 3.25Å; M113-T117 WeakPolarHBondContact O-CG2 3.48Å; M113-T117 PolarHBondContact O-N 2.91Å; M113-T117 PolarHBondContact O-OG1 3.14Å |
| 114 | E | 54.9 | Low | 67.5 | Low | 131 Ų | 131 | 84.9 Ų | 84.9 | 61% | 0.612 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -73.9 | -39.1 | 173.2 | -58.8 | -157.3 | -176.1 | 0 | 0 | 110.8 | D112 V116 K118 | D112-E114 PolarHBondContact O-N 2.81Å; D112-E114 WeakPolarHBondContact OD1-CA 3.02Å; D112-E114 WeakPolarHBondContact OD1-CB 3.07Å; D112-E114 PolarHBondContact OD1-N 2.8Å; E114-V116 VanDerWaalsContact C-N 3.33Å; E114-K118 WeakPolarHBondContact O-CG 3.13Å; E114-K118 PolarHBondContact O-N 2.83Å |
| 115 | T | 52.7 | Low | 66.2 | Low | 82 Ų | 82 | 87.9 Ų | 87.9 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.7 | -24.5 | 172.3 | 66.3 | 0 | 0 | 0 | 0 | 114.1 | D112 | D112-T115 HydrophobicContact CB-CG2 4.23Å; D112-T115 PolarHBondContact O-N 2.91Å; D112-T115 PolarHBondContact O-OG1 3.04Å; D112-T115 PolarHBondContact OD1-N 3.06Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.38Å |
| 116 | V | 53.3 | Low | 64.9 | Low | 100 Ų | 100 | 87.4 Ų | 87.4 | 61% | 0.606 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -91.7 | -26.6 | -179.6 | 176.5 | 0 | 0 | 0 | 0 | 112.8 | V111 D112 E114 | V111-V116 HydrophobicContact CG1-CG2 4.45Å; D112-V116 WeakPolarHBondContact O-CG2 3.47Å; D112-V116 PolarHBondContact O-N 2.82Å; E114-V116 VanDerWaalsContact C-N 3.33Å |
| 117 | T | 55.7 | Low | 63.4 | Low | 113 Ų | 113 | 90.1 Ų | 90.1 | 69% | 0.693 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -93.5 | -17.5 | 179.1 | 58.4 | 0 | 0 | 0 | 0 | 114.2 | M113 | M113-T117 VanDerWaalsContact O-CB 3.28Å; M113-T117 WeakPolarHBondContact O-CB 3.47Å; M113-T117 VanDerWaalsContact O-CG2 3.25Å; M113-T117 WeakPolarHBondContact O-CG2 3.48Å; M113-T117 PolarHBondContact O-N 2.91Å; M113-T117 PolarHBondContact O-OG1 3.14Å |
| 118 | K | 54 | Low | 62.2 | Low | 80 Ų | 80 | 94.2 Ų | 94.2 | 35% | 0.348 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -82.3 | 131.2 | 158.9 | -62.5 | 177.5 | -167.5 | -176.9 | 0 | 107.8 | E114 E126 | E114-K118 WeakPolarHBondContact O-CG 3.13Å; E114-K118 PolarHBondContact O-N 2.83Å; K118-E126 WeakPolarHBondContact CE-OE1 3.22Å; K118-E126 IonicContact NZ-OE1 2.72Å; K118-E126 PolarHBondContact NZ-OE1 3.18Å |
| 119 | N | 50.4 | Low | 60.9 | Low | 154 Ų | 154 | 99.7 Ų | 99.7 | 82% | 0.824 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 152.4 | 166.7 | -75.7 | -11.8 | 0 | 0 | 0 | 109.1 | ||
| 120 | A | 49.8 | Very low | 59.7 | Low | 88 Ų | 88 | 103.9 Ų | 103.9 | 73% | 0.727 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -51.9 | 152.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 121 | F | 56.3 | Low | 58.9 | Low | 203 Ų | 203 | 104.4 Ų | 104.4 | 89% | 0.89 | 57% | 0.569 | S | S | * | * | trans | 77.2 | 95.6 | -165 | -51.7 | -73.7 | 0 | 0 | 0 | 114.5 | ||||
| 122 | C | 65.4 | Low | 58.2 | Low | 59 Ų | 59 | 102.4 Ų | 102.4 | 40% | 0.399 | 57% | 0.565 | S | S | . | * | trans | -67.4 | 132 | 153.9 | -70.1 | 0 | 0 | 0 | 0 | 108.6 | L127 | C122-L127 HydrophobicContact CB-CG 4.23Š| ||
| 123 | S | 64.4 | Low | 58 | Low | 57 Ų | 57 | 103.5 Ų | 103.5 | 40% | 0.399 | 58% | 0.579 | S | S | . | * | trans | -70.9 | 156 | 175.4 | 63.8 | 0 | 0 | 0 | 0 | 111.9 | S125 E126 L127 | S123-S125 PolarHBondContact O-N 3Å; S123-S125 VanDerWaalsContact O-N 3.07Å; S123-E126 PolarHBondContact N-OE2 3.46Å; S123-E126 WeakPolarHBondContact O-CA 3.45Å; S123-E126 PolarHBondContact O-N 2.85Å; S123-E126 PolarHBondContact OG-N 3.43Å; S123-E126 PolarHBondContact OG-OE2 3.36Å; S123-L127 PolarHBondContact O-N 2.92Å | ||
| 124 | D | 62.9 | Low | 57.6 | Low | 137 Ų | 137 | 104.4 Ų | 104.4 | 73% | 0.733 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -54.7 | -29.1 | 172.7 | -73.6 | -24.3 | 0 | 0 | 0 | 112.4 | E126 S128 | D124-E126 VanDerWaalsContact C-N 3.3Å; D124-E126 PolarHBondContact O-N 3.19Å; D124-S128 WeakPolarHBondContact O-CB 3.31Å; D124-S128 PolarHBondContact O-N 3.39Å |
| 125 | S | 63.4 | Low | 57.5 | Low | 78 Ų | 78 | 103.3 Ų | 103.3 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -73.3 | -16.8 | 175.6 | -69.1 | 0 | 0 | 0 | 0 | 114.3 | S123 R129 | S123-S125 PolarHBondContact O-N 3Å; S123-S125 VanDerWaalsContact O-N 3.07Å; S125-R129 VanDerWaalsContact O-CD 3.28Å; S125-R129 WeakPolarHBondContact O-CD 3.36Å; S125-R129 VanDerWaalsContact O-CG 3.31Å; S125-R129 WeakPolarHBondContact O-CG 3.46Å; S125-R129 PolarHBondContact O-NE 3.44Å |
| 126 | E | 64.6 | Low | 57.6 | Low | 60 Ų | 60 | 106.7 Ų | 106.7 | 28% | 0.28 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -94.8 | -41.5 | 170.7 | -70.6 | 178.6 | 105.5 | 0 | 0 | 111.3 | K118 S123 D124 S128 R129 L130 | K118-E126 WeakPolarHBondContact CE-OE1 3.22Å; K118-E126 IonicContact NZ-OE1 2.72Å; K118-E126 PolarHBondContact NZ-OE1 3.18Å; S123-E126 PolarHBondContact N-OE2 3.46Å; S123-E126 WeakPolarHBondContact O-CA 3.45Å; S123-E126 PolarHBondContact O-N 2.85Å; S123-E126 PolarHBondContact OG-N 3.43Å; S123-E126 PolarHBondContact OG-OE2 3.36Å; D124-E126 VanDerWaalsContact C-N 3.3Å; D124-E126 PolarHBondContact O-N 3.19Å; E126-S128 VanDerWaalsContact C-N 3.3Å; E126-S128 PolarHBondContact O-N 2.95Å; E126-R129 WeakPolarHBondContact O-CA 3.35Å; E126-R129 WeakPolarHBondContact O-CB 3.31Å; E126-R129 PolarHBondContact O-N 3.37Å; E126-L130 PolarHBondContact O-N 3.44Å |
| 127 | L | 61 | Low | 58.2 | Low | 76 Ų | 76 | 111.1 Ų | 111.1 | 40% | 0.398 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -56.1 | -45.2 | 171.3 | -73.7 | 159.6 | 0 | 0 | 0 | 111 | C122 S123 R129 L130 N131 | C122-L127 HydrophobicContact CB-CG 4.23Å; S123-L127 PolarHBondContact O-N 2.92Å; L127-R129 PolarHBondContact O-N 3.42Å; L127-R129 VanDerWaalsContact O-N 3.15Å; L127-L130 PolarHBondContact O-N 3.39Å; L127-N131 WeakPolarHBondContact O-CB 3.19Å; L127-N131 PolarHBondContact O-N 2.93Å; L127-N131 PolarHBondContact O-ND2 3.26Å |
| 128 | S | 65.5 | Low | 58.8 | Low | 89 Ų | 89 | 116.6 Ų | 116.6 | 62% | 0.622 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.2 | -12.2 | 174 | -177.1 | 0 | 0 | 0 | 0 | 114.5 | D124 E126 | D124-S128 WeakPolarHBondContact O-CB 3.31Å; D124-S128 PolarHBondContact O-N 3.39Å; E126-S128 VanDerWaalsContact C-N 3.3Å; E126-S128 PolarHBondContact O-N 2.95Å |
| 129 | R | 62.3 | Low | 59.7 | Low | 196 Ų | 196 | 120.7 Ų | 120.7 | 74% | 0.74 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -96.1 | -31.6 | 173.3 | -71.1 | 171.9 | -176.6 | 162.6 | 4 | 112.4 | S125 E126 L127 | S125-R129 VanDerWaalsContact O-CD 3.28Å; S125-R129 WeakPolarHBondContact O-CD 3.36Å; S125-R129 VanDerWaalsContact O-CG 3.31Å; S125-R129 WeakPolarHBondContact O-CG 3.46Å; S125-R129 PolarHBondContact O-NE 3.44Å; E126-R129 WeakPolarHBondContact O-CA 3.35Å; E126-R129 WeakPolarHBondContact O-CB 3.31Å; E126-R129 PolarHBondContact O-N 3.37Å; L127-R129 PolarHBondContact O-N 3.42Å; L127-R129 VanDerWaalsContact O-N 3.15Å |
| 130 | L | 59.2 | Low | 61 | Low | 121 Ų | 121 | 121.9 Ų | 121.9 | 63% | 0.634 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -72.3 | -42.1 | 172.7 | -116.7 | 67.2 | 0 | 0 | 0 | 111.7 | E126 L127 G132 S133 | E126-L130 PolarHBondContact O-N 3.44Å; L127-L130 PolarHBondContact O-N 3.39Å; L130-G132 PolarHBondContact O-N 3.2Å; L130-G132 VanDerWaalsContact O-N 3.1Å; L130-S133 PolarHBondContact O-N 3.04Å; L130-S133 PolarHBondContact O-OG 3.36Å |
| 131 | N | 54.3 | Low | 62.4 | Low | 115 Ų | 115 | 124.1 Ų | 124.1 | 62% | 0.615 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -10.6 | -175.4 | -71.4 | -8.3 | 0 | 0 | 0 | 114.9 | L127 | L127-N131 WeakPolarHBondContact O-CB 3.19Å; L127-N131 PolarHBondContact O-N 2.93Å; L127-N131 PolarHBondContact O-ND2 3.26Å |
| 132 | G | 51.8 | Low | 63.6 | Low | 40 Ų | 40 | 124.8 Ų | 124.8 | 41% | 0.412 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.8 | 5.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | L130 E136 | L130-G132 PolarHBondContact O-N 3.2Å; L130-G132 VanDerWaalsContact O-N 3.1Å; G132-E136 WeakPolarHBondContact CA-OE1 3.38Å |
| 133 | S | 55.4 | Low | 63.7 | Low | 104 Ų | 104 | 128.4 Ų | 128.4 | 73% | 0.727 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -87.3 | -32.9 | -178.5 | 58 | 0 | 0 | 0 | 0 | 113.7 | L130 | L130-S133 PolarHBondContact O-N 3.04Å; L130-S133 PolarHBondContact O-OG 3.36Å |
| 134 | T | 53 | Low | 63.4 | Low | 109 Ų | 109 | 127.8 Ų | 127.8 | 67% | 0.669 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -79.5 | 140.9 | 166 | -56.4 | 0 | 0 | 0 | 0 | 108.7 | E136 | T134-E136 PolarHBondContact O-N 3.45Š|
| 135 | S | 52 | Low | 63.6 | Low | 109 Ų | 109 | 129.7 Ų | 129.7 | 76% | 0.762 | 66% | 0.658 | S | S | * | * | trans | -54.4 | 104.9 | -171.3 | 60.5 | 0 | 0 | 0 | 0 | 112.6 | K137 | S135-K137 PolarHBondContact O-N 3.1Š| ||
| 136 | E | 55.9 | Low | 63.4 | Low | 153 Ų | 153 | 131 Ų | 131 | 72% | 0.715 | 66% | 0.662 | S | S | * | * | trans | -59.7 | 104.3 | -175.7 | -69.1 | -173.1 | 159.5 | 0 | 0 | 111 | G132 T134 R138 | G132-E136 WeakPolarHBondContact CA-OE1 3.38Å; T134-E136 PolarHBondContact O-N 3.45Å; E136-R138 PolarHBondContact O-N 2.78Å; E136-R138 VanDerWaalsContact O-N 3.11Å | ||
| 137 | K | 65.6 | Low | 62.9 | Low | 192 Ų | 192 | 133.1 Ų | 133.1 | 84% | 0.835 | 68% | 0.679 | S | S | * | * | trans | -66.9 | 109.8 | 161.6 | -73.2 | -175.4 | 178.3 | 179.9 | 0 | 107 | S135 L139 | S135-K137 PolarHBondContact O-N 3.1Å; K137-L139 PolarHBondContact O-N 3.44Å; K137-L139 VanDerWaalsContact O-N 3.13Å | ||
| 138 | R | 68.1 | Low | 62.6 | Low | 229 Ų | 229 | 137.3 Ų | 137.3 | 86% | 0.864 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 121.4 | 170.8 | 177 | -179.3 | 179.6 | 173.1 | 0.5 | 108.7 | E136 E140 | E136-R138 PolarHBondContact O-N 2.78Å; E136-R138 VanDerWaalsContact O-N 3.11Å; R138-E140 PolarHBondContact O-N 3.23Å; R138-E140 VanDerWaalsContact O-N 3.11Å |
| 139 | L | 72.9 | Confident | 62.2 | Low | 165 Ų | 165 | 141 Ų | 141 | 86% | 0.864 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -60 | 117 | 176.3 | -64.6 | 175.2 | 0 | 0 | 0 | 109.2 | K137 | K137-L139 PolarHBondContact O-N 3.44Å; K137-L139 VanDerWaalsContact O-N 3.13Å |
| 140 | E | 78.1 | Confident | 61.9 | Low | 180 Ų | 180 | 140.5 Ų | 140.5 | 84% | 0.841 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 158.3 | 171 | -62.3 | -175.7 | 146.7 | 0 | 0 | 109.2 | R138 W142 | R138-E140 PolarHBondContact O-N 3.23Å; R138-E140 VanDerWaalsContact O-N 3.11Å; E140-W142 PolarHBondContact O-N 2.97Å |
| 141 | K | 77.8 | Confident | 61.7 | Low | 135 Ų | 135 | 142.2 Ų | 142.2 | 59% | 0.587 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 127.5 | 170.3 | 178.7 | -163.7 | 160.4 | -150.8 | 0 | 106.8 | E143 E148 | K141-E143 HydrophobicContact CD-CG 4.05Å; K141-E143 HydrophobicContact CG-CG 4.31Å; K141-E143 IonicContact NZ-OE1 3.99Å; K141-E143 PolarHBondContact NZ-OE1 3.12Å; K141-E143 PolarHBondContact O-N 2.91Å; K141-E148 IonicContact NZ-OE1 2.87Å |
| 142 | W | 81.2 | Confident | 61.8 | Low | 217 Ų | 217 | 142.4 Ų | 142.4 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | trans | -66.8 | 103.2 | 169.1 | -171 | 76.3 | 0 | 0 | 0 | 108.2 | E140 | E140-W142 PolarHBondContact O-N 2.97Š| ||
| 143 | E | 69 | Low | 62 | Low | 134 Ų | 134 | 148.2 Ų | 148.2 | 63% | 0.626 | 75% | 0.745 | S | S | * | * | trans | -91.1 | 130.1 | 170.5 | -52.7 | -147.7 | 122.9 | 0 | 0 | 107.8 | K141 | K141-E143 HydrophobicContact CD-CG 4.05Å; K141-E143 HydrophobicContact CG-CG 4.31Å; K141-E143 IonicContact NZ-OE1 3.99Å; K141-E143 PolarHBondContact NZ-OE1 3.12Å; K141-E143 PolarHBondContact O-N 2.91Å | ||
| 144 | S | 57.4 | Low | 61.8 | Low | 45 Ų | 45 | 147.4 Ų | 147.4 | 32% | 0.315 | 73% | 0.732 | S | S | . | * | trans | -76.5 | 126 | 178.7 | 166.2 | 0 | 0 | 0 | 0 | 109.4 | V146 | S144-V146 WeakPolarHBondContact CB-O 3.22Å; S144-V146 CarbonylContact O-C 3.6Å; S144-V146 PolarHBondContact O-N 3.24Å; S144-V146 VanDerWaalsContact O-N 3.12Å; S144-V146 WeakPolarHBondContact OG-CA 3.13Å; S144-V146 WeakPolarHBondContact OG-CB 3.42Å; S144-V146 PolarHBondContact OG-N 3.44Å; S144-V146 PolarHBondContact OG-O 2.87Å | ||
| 145 | D | 67.3 | Low | 62 | Low | 177 Ų | 177 | 150.1 Ų | 150.1 | 95% | 0.947 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -60.9 | -15.5 | 168.7 | -75.7 | -42.6 | 0 | 0 | 0 | 112.4 | ||
| 146 | V | 58.1 | Low | 62.3 | Low | 105 Ų | 105 | 149.5 Ų | 149.5 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -87.6 | 116.7 | 165.6 | -170.5 | 0 | 0 | 0 | 0 | 108.7 | S144 | S144-V146 WeakPolarHBondContact CB-O 3.22Å; S144-V146 CarbonylContact O-C 3.6Å; S144-V146 PolarHBondContact O-N 3.24Å; S144-V146 VanDerWaalsContact O-N 3.12Å; S144-V146 WeakPolarHBondContact OG-CA 3.13Å; S144-V146 WeakPolarHBondContact OG-CB 3.42Å; S144-V146 PolarHBondContact OG-N 3.44Å; S144-V146 PolarHBondContact OG-O 2.87Å |
| 147 | V | 55.7 | Low | 62 | Low | 105 Ų | 105 | 143.7 Ų | 143.7 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | trans | -48.6 | 140.6 | 178.8 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | E149 | V147-E149 HydrophobicContact CG1-CG 4.13Å; V147-E149 PolarHBondContact O-N 3.04Å | ||
| 148 | E | 54.7 | Low | 61.5 | Low | 164 Ų | 164 | 140.6 Ų | 140.6 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | trans | -70.3 | 43.1 | 179.2 | -63 | -175.5 | -179 | 0 | 0 | 113.9 | K141 | K141-E148 IonicContact NZ-OE1 2.87Š| ||
| 149 | E | 57.1 | Low | 61 | Low | 166 Ų | 166 | 134.9 Ų | 134.9 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -90.6 | 113.3 | 169.4 | -75.4 | -175.4 | 167.6 | 0 | 0 | 110.6 | V147 L151 | V147-E149 HydrophobicContact CG1-CG 4.13Å; V147-E149 PolarHBondContact O-N 3.04Å; E149-L151 PolarHBondContact O-N 2.83Å |
| 150 | E | 54.9 | Low | 60.4 | Low | 186 Ų | 186 | 134.9 Ų | 134.9 | 87% | 0.869 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 67.7 | 10.7 | 163.9 | -149.3 | 162.2 | -143.5 | 0 | 0 | 119.2 | V152 | E150-V152 PolarHBondContact O-N 3.46Š|
| 151 | L | 55.8 | Low | 59.8 | Low | 157 Ų | 157 | 128.9 Ų | 128.9 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | trans | -76.5 | 52.2 | 163.2 | -74.2 | 177.9 | 0 | 0 | 0 | 113.1 | E149 L153 | E149-L151 PolarHBondContact O-N 2.83Å; L151-L153 PolarHBondContact O-N 2.9Å | ||
| 152 | V | 55.4 | Low | 59.6 | Low | 118 Ų | 118 | 130.5 Ų | 130.5 | 72% | 0.715 | 69% | 0.692 | S | S | * | * | trans | -73.1 | 116.9 | 164.9 | 178.2 | 0 | 0 | 0 | 0 | 108 | E150 D154 | E150-V152 PolarHBondContact O-N 3.46Å; V152-D154 PolarHBondContact O-N 3.3Å | ||
| 153 | L | 56 | Low | 59.4 | Low | 162 Ų | 162 | 122.5 Ų | 122.5 | 85% | 0.848 | 67% | 0.67 | S | S | * | * | trans | -68.8 | 85.6 | 167 | -66.9 | 176.1 | 0 | 0 | 0 | 108.9 | L151 D155 | L151-L153 PolarHBondContact O-N 2.9Å; L153-D155 PolarHBondContact O-N 3.02Å | ||
| 154 | D | 51.2 | Low | 59.9 | Low | 87 Ų | 87 | 118.1 Ų | 118.1 | 47% | 0.465 | 66% | 0.656 | S | S | . | * | trans | -75.7 | 94 | 176.6 | -170.4 | -13.9 | 0 | 0 | 0 | 109.9 | V152 S156 S157 | V152-D154 PolarHBondContact O-N 3.3Å; D154-S156 VanDerWaalsContact CG-OG 3.22Å; D154-S156 PolarHBondContact O-N 2.69Å; D154-S156 VanDerWaalsContact OD1-CB 3.24Å; D154-S156 WeakPolarHBondContact OD1-CB 3.25Å; D154-S156 PolarHBondContact OD1-N 2.7Å; D154-S156 PolarHBondContact OD1-OG 2.99Å; D154-S156 PolarHBondContact OD2-OG 3.09Å; D154-S157 PolarHBondContact O-N 2.86Å; D154-S157 PolarHBondContact O-OG 3.39Å | ||
| 155 | D | 58.7 | Low | 61 | Low | 166 Ų | 166 | 122.4 Ų | 122.4 | 89% | 0.888 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48 | -17.4 | 172.5 | -77.3 | -23.4 | 0 | 0 | 0 | 113.9 | L153 | L153-D155 PolarHBondContact O-N 3.02Š|
| 156 | S | 57 | Low | 61.7 | Low | 97 Ų | 97 | 119 Ų | 119 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -10.1 | 175.8 | 78 | 0 | 0 | 0 | 0 | 114.3 | D154 | D154-S156 VanDerWaalsContact CG-OG 3.22Å; D154-S156 PolarHBondContact O-N 2.69Å; D154-S156 VanDerWaalsContact OD1-CB 3.24Å; D154-S156 WeakPolarHBondContact OD1-CB 3.25Å; D154-S156 PolarHBondContact OD1-N 2.7Å; D154-S156 PolarHBondContact OD1-OG 2.99Å; D154-S156 PolarHBondContact OD2-OG 3.09Å |
| 157 | S | 49.4 | Very low | 62.9 | Low | 31 Ų | 31 | 118.3 Ų | 118.3 | 22% | 0.217 | 64% | 0.641 | C | S | . | * | trans | -103.9 | 89 | -175.4 | 68.1 | 0 | 0 | 0 | 0 | 113.1 | D154 T159 H160 | D154-S157 PolarHBondContact O-N 2.86Å; D154-S157 PolarHBondContact O-OG 3.39Å; S157-T159 PolarHBondContact O-N 3.11Å; S157-H160 PolarHBondContact OG-ND1 2.81Å | ||
| 158 | S | 56.3 | Low | 64.4 | Low | 127 Ų | 127 | 115 Ų | 115 | 89% | 0.888 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 38.7 | 171.7 | 68.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 159 | T | 57.8 | Low | 65.8 | Low | 108 Ų | 108 | 113.7 Ų | 113.7 | 66% | 0.663 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.9 | -1.8 | -169.9 | 22.7 | 0 | 0 | 0 | 0 | 113 | S157 | S157-T159 PolarHBondContact O-N 3.11Š|
| 160 | H | 59.1 | Low | 67.2 | Low | 166 Ų | 166 | 109.7 Ų | 109.7 | 77% | 0.769 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -107.2 | 2.8 | 178.2 | -68.5 | 112.3 | 0 | 0 | 0 | 114.4 | S157 | S157-H160 PolarHBondContact OG-ND1 2.81Š|
| 161 | G | 66 | Low | 68.7 | Low | 54 Ų | 54 | 102.6 Ų | 102.6 | 56% | 0.557 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -93.2 | 151.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | S163 | G161-S163 PolarHBondContact O-N 3.42Š|
| 162 | W | 73.8 | Confident | 70.3 | Confident | 168 Ų | 168 | 100.1 Ų | 100.1 | 64% | 0.636 | 54% | 0.542 | S | S | * | . | trans | -66.4 | 115.5 | 166.3 | -70.4 | 32.5 | 0 | 0 | 0 | 107.6 | M167 K170 | W162-M167 HydrophobicContact CE3-CB 4.21Å; W162-M167 HydrophobicContact CE3-CG 4.36Å; W162-K170 HydrophobicContact CE3-CD 4.45Å; W162-K170 HydrophobicContact CH2-CD 3.76Å; W162-K170 HydrophobicContact CZ2-CD 4.43Å; W162-K170 VanDerWaalsContact CZ2-NZ 3.26Å; W162-K170 HydrophobicContact CZ3-CD 3.75Å | ||
| 163 | S | 77.2 | Confident | 71.8 | Confident | 50 Ų | 50 | 101.1 Ų | 101.1 | 35% | 0.35 | 54% | 0.542 | S | S | . | . | trans | -64.8 | 156.5 | 168.7 | 62.5 | 0 | 0 | 0 | 0 | 110.4 | G161 E165 E166 M167 | G161-S163 PolarHBondContact O-N 3.42Å; S163-E165 PolarHBondContact O-N 2.78Å; S163-E166 WeakPolarHBondContact CB-OE2 3.01Å; S163-E166 PolarHBondContact N-OE2 3.15Å; S163-E166 PolarHBondContact O-N 3.34Å; S163-E166 WeakPolarHBondContact OG-CB 3.38Å; S163-E166 VanDerWaalsContact OG-CD 3.25Å; S163-E166 WeakPolarHBondContact OG-CG 3.42Å; S163-E166 PolarHBondContact OG-N 3.22Å; S163-E166 VanDerWaalsContact OG-N 3.11Å; S163-E166 PolarHBondContact OG-OE2 3.23Å; S163-M167 PolarHBondContact O-N 3.09Å | ||
| 164 | A | 78.7 | Confident | 73.3 | Confident | 41 Ų | 41 | 99 Ų | 99 | 34% | 0.339 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -55.4 | -45.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | E166 M167 F168 Y181 | A164-E166 PolarHBondContact O-N 3.01Å; A164-M167 WeakPolarHBondContact O-CB 3.36Å; A164-M167 PolarHBondContact O-N 3.3Å; A164-M167 VanDerWaalsContact O-N 3.16Å; A164-F168 HydrophobicContact CB-CD2 4.39Å; A164-F168 HydrophobicContact CB-CE2 3.68Å; A164-F168 HydrophobicContact CB-CZ 3.84Å; A164-F168 WeakPolarHBondContact O-CB 3.47Å; A164-F168 WeakPolarHBondContact O-CD1 3.33Å; A164-F168 WeakPolarHBondContact O-CD2 3.19Å; A164-F168 WeakPolarHBondContact O-CG 3.4Å; A164-F168 PolarHBondContact O-N 3.34Å; A164-Y181 HydrophobicContact CB-CE1 4.49Å |
| 165 | E | 80.6 | Confident | 75 | Confident | 136 Ų | 136 | 102.1 Ų | 102.1 | 64% | 0.636 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -54.7 | -46.1 | 174.4 | -173.4 | 65.4 | -169.8 | 0 | 0 | 113.2 | S163 F168 K169 | S163-E165 PolarHBondContact O-N 2.78Å; E165-F168 PolarHBondContact O-N 3.29Å; E165-K169 WeakPolarHBondContact O-CB 3.36Å; E165-K169 PolarHBondContact O-N 3.25Å |
| 166 | E | 83.2 | Confident | 76.3 | Confident | 106 Ų | 106 | 97 Ų | 97 | 50% | 0.495 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.1 | -37.8 | 176.5 | -73.6 | 163.2 | 128.6 | 0 | 0 | 112.7 | S163 A164 K170 | S163-E166 WeakPolarHBondContact CB-OE2 3.01Å; S163-E166 PolarHBondContact N-OE2 3.15Å; S163-E166 PolarHBondContact O-N 3.34Å; S163-E166 WeakPolarHBondContact OG-CB 3.38Å; S163-E166 VanDerWaalsContact OG-CD 3.25Å; S163-E166 WeakPolarHBondContact OG-CG 3.42Å; S163-E166 PolarHBondContact OG-N 3.22Å; S163-E166 VanDerWaalsContact OG-N 3.11Å; S163-E166 PolarHBondContact OG-OE2 3.23Å; A164-E166 PolarHBondContact O-N 3.01Å; E166-K170 WeakPolarHBondContact O-CB 3.11Å; E166-K170 PolarHBondContact O-N 3.09Å |
| 167 | M | 82.5 | Confident | 77.6 | Confident | 90 Ų | 90 | 96 Ų | 96 | 44% | 0.443 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 174.4 | -177.6 | 177.9 | 176 | 0 | 0 | 110.9 | W162 S163 A164 K170 N171 | W162-M167 HydrophobicContact CE3-CB 4.21Å; W162-M167 HydrophobicContact CE3-CG 4.36Å; S163-M167 PolarHBondContact O-N 3.09Å; A164-M167 WeakPolarHBondContact O-CB 3.36Å; A164-M167 PolarHBondContact O-N 3.3Å; A164-M167 VanDerWaalsContact O-N 3.16Å; M167-K170 PolarHBondContact O-N 3.42Å; M167-N171 WeakPolarHBondContact O-CB 2.93Å; M167-N171 PolarHBondContact O-N 2.75Å; M167-N171 PolarHBondContact O-ND2 3.17Å |
| 168 | F | 86.3 | Confident | 79.2 | Confident | 35 Ų | 35 | 99.5 Ų | 99.5 | 15% | 0.154 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -66.8 | -49.7 | 178.5 | -56.2 | -27.1 | 0 | 0 | 0 | 111.3 | A164 E165 K170 N171 E172 T179 Y181 | A164-F168 HydrophobicContact CB-CD2 4.39Å; A164-F168 HydrophobicContact CB-CE2 3.68Å; A164-F168 HydrophobicContact CB-CZ 3.84Å; A164-F168 WeakPolarHBondContact O-CB 3.47Å; A164-F168 WeakPolarHBondContact O-CD1 3.33Å; A164-F168 WeakPolarHBondContact O-CD2 3.19Å; A164-F168 WeakPolarHBondContact O-CG 3.4Å; A164-F168 PolarHBondContact O-N 3.34Å; E165-F168 PolarHBondContact O-N 3.29Å; F168-K170 PolarHBondContact O-N 3.14Å; F168-N171 CarbonylContact O-C 3.55Å; F168-N171 PolarHBondContact O-N 2.98Å; F168-E172 WeakPolarHBondContact O-CB 3.09Å; F168-E172 PolarHBondContact O-N 3.27Å; F168-T179 HydrophobicContact CB-CG2 4.08Å; F168-T179 WeakPolarHBondContact CB-OG1 3.44Å; F168-T179 HydrophobicContact CD1-CG2 3.44Å; F168-T179 VanDerWaalsContact CD1-CG2 3.44Å; F168-T179 HydrophobicContact CD2-CG2 4.45Å; F168-T179 VanDerWaalsContact CD2-OG1 3.31Å; F168-T179 WeakPolarHBondContact CD2-OG1 3.42Å; F168-T179 HydrophobicContact CE1-CG2 3.94Å; F168-T179 HydrophobicContact CG-CG2 3.73Å; F168-T179 VanDerWaalsContact CG-OG1 3.22Å; F168-T179 WeakPolarHBondContact CG-OG1 3.46Å; F168-Y181 VanDerWaalsContact CE2-CB 3.48Å; F168-Y181 AromaticContact CE2-CD1 3.54Å; F168-Y181 HydrophobicContact CE2-CD1 3.54Å; F168-Y181 HydrophobicContact CE2-CD2 4.2Å; F168-Y181 HydrophobicContact CE2-CE1 4.28Å; F168-Y181 AromaticContact CE2-CG 3.47Å; F168-Y181 HydrophobicContact CE2-CG 3.47Å; F168-Y181 VanDerWaalsContact CE2-CG 3.47Å; F168-Y181 HydrophobicContact CZ-CD1 4.12Å; F168-Y181 AromaticContact CZ-CD2 3.93Å; F168-Y181 HydrophobicContact CZ-CD2 3.93Å; F168-Y181 AromaticContact CZ-CG 3.65Å; F168-Y181 HydrophobicContact CZ-CG 3.65Å |
| 169 | K | 85.6 | Confident | 80.3 | Confident | 137 Ų | 137 | 96.3 Ų | 96.3 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.1 | -34.7 | 175.6 | -175 | 174.6 | -173.8 | 171.4 | 0 | 112.9 | E165 L173 | E165-K169 WeakPolarHBondContact O-CB 3.36Å; E165-K169 PolarHBondContact O-N 3.25Å; K169-L173 WeakPolarHBondContact O-CB 3.38Å; K169-L173 PolarHBondContact O-N 3.12Å |
| 170 | K | 85.8 | Confident | 81.5 | Confident | 81 Ų | 81 | 96.9 Ų | 96.9 | 35% | 0.352 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -76.2 | -33.5 | 175.6 | -172.9 | 165.4 | 176.7 | 179.9 | 0 | 112.5 | W162 E166 M167 F168 H174 | W162-K170 HydrophobicContact CE3-CD 4.45Å; W162-K170 HydrophobicContact CH2-CD 3.76Å; W162-K170 HydrophobicContact CZ2-CD 4.43Å; W162-K170 VanDerWaalsContact CZ2-NZ 3.26Å; W162-K170 HydrophobicContact CZ3-CD 3.75Å; E166-K170 WeakPolarHBondContact O-CB 3.11Å; E166-K170 PolarHBondContact O-N 3.09Å; M167-K170 PolarHBondContact O-N 3.42Å; F168-K170 PolarHBondContact O-N 3.14Å; K170-H174 VanDerWaalsContact CG-CD2 3.48Å; K170-H174 WeakPolarHBondContact CG-CD2 3.45Å; K170-H174 WeakPolarHBondContact O-CB 3.41Å; K170-H174 PolarHBondContact O-CD2 3.42Å; K170-H174 PolarHBondContact O-N 3.07Å |
| 171 | N | 85.7 | Confident | 82.4 | Confident | 37 Ų | 37 | 94.8 Ų | 94.8 | 20% | 0.198 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -72.1 | -36.1 | 172.7 | -71.5 | -18.4 | 0 | 0 | 0 | 112.3 | M167 F168 F175 G176 V177 | M167-N171 WeakPolarHBondContact O-CB 2.93Å; M167-N171 PolarHBondContact O-N 2.75Å; M167-N171 PolarHBondContact O-ND2 3.17Å; F168-N171 CarbonylContact O-C 3.55Å; F168-N171 PolarHBondContact O-N 2.98Å; N171-F175 HydrophobicContact CB-CD2 4.49Å; N171-F175 CarbonylContact O-C 3.54Å; N171-F175 VanDerWaalsContact O-CA 3.31Å; N171-F175 WeakPolarHBondContact O-CA 3.49Å; N171-F175 WeakPolarHBondContact O-CB 3.47Å; N171-F175 PolarHBondContact O-N 3.22Å; N171-G176 PolarHBondContact O-N 2.61Å; N171-G176 VanDerWaalsContact O-N 3.14Å; N171-V177 HydrophobicContact CB-CB 4.32Å; N171-V177 PolarHBondContact O-N 3Å |
| 172 | E | 89.6 | Confident | 82.7 | Confident | 105 Ų | 105 | 94.7 Ų | 94.7 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63 | -50.1 | 169.7 | -173.2 | -177.6 | -157.2 | 0 | 0 | 110.2 | F168 H174 G176 V177 T178 | F168-E172 WeakPolarHBondContact O-CB 3.09Å; F168-E172 PolarHBondContact O-N 3.27Å; E172-H174 PolarHBondContact O-N 3.27Å; E172-G176 VanDerWaalsContact O-CA 3.26Å; E172-G176 WeakPolarHBondContact O-CA 3.47Å; E172-G176 PolarHBondContact O-N 3.07Å; E172-V177 PolarHBondContact N-O 3Å; E172-T178 HydrophobicContact CG-CG2 4.29Å |
| 173 | L | 87.6 | Confident | 82.8 | Confident | 139 Ų | 139 | 94.4 Ų | 94.4 | 73% | 0.728 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.2 | -35.3 | -178.1 | -176 | 64.5 | 0 | 0 | 0 | 114.5 | K169 | K169-L173 WeakPolarHBondContact O-CB 3.38Å; K169-L173 PolarHBondContact O-N 3.12Å |
| 174 | H | 87.5 | Confident | 82.6 | Confident | 117 Ų | 117 | 97.1 Ų | 97.1 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -101.7 | -27.2 | -177 | -66 | -45.1 | 0 | 0 | 0 | 114.8 | K170 E172 | K170-H174 VanDerWaalsContact CG-CD2 3.48Å; K170-H174 WeakPolarHBondContact CG-CD2 3.45Å; K170-H174 WeakPolarHBondContact O-CB 3.41Å; K170-H174 PolarHBondContact O-CD2 3.42Å; K170-H174 PolarHBondContact O-N 3.07Å; E172-H174 PolarHBondContact O-N 3.27Å |
| 175 | F | 87.2 | Confident | 82.3 | Confident | 154 Ų | 154 | 99 Ų | 99 | 68% | 0.675 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -127.4 | -3.2 | -173.2 | -51.4 | -60.9 | 0 | 0 | 0 | 113.7 | N171 V177 | N171-F175 HydrophobicContact CB-CD2 4.49Å; N171-F175 CarbonylContact O-C 3.54Å; N171-F175 VanDerWaalsContact O-CA 3.31Å; N171-F175 WeakPolarHBondContact O-CA 3.49Å; N171-F175 WeakPolarHBondContact O-CB 3.47Å; N171-F175 PolarHBondContact O-N 3.22Å; F175-V177 HydrophobicContact CB-CG2 3.93Å; F175-V177 PolarHBondContact O-N 3.13Å |
| 176 | G | 84.5 | Confident | 81.7 | Confident | 58 Ų | 58 | 97.9 Ų | 97.9 | 60% | 0.598 | 50% | 0.496 | S | S | * | . | trans | 69.3 | 15.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N171 E172 T178 | N171-G176 PolarHBondContact O-N 2.61Å; N171-G176 VanDerWaalsContact O-N 3.14Å; E172-G176 VanDerWaalsContact O-CA 3.26Å; E172-G176 WeakPolarHBondContact O-CA 3.47Å; E172-G176 PolarHBondContact O-N 3.07Å; G176-T178 PolarHBondContact O-N 2.97Å | ||
| 177 | V | 84.6 | Confident | 81 | Confident | 76 Ų | 76 | 98.2 Ų | 98.2 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | trans | -89.2 | 93.1 | -176.3 | -179.1 | 0 | 0 | 0 | 0 | 110 | N171 E172 F175 | N171-V177 HydrophobicContact CB-CB 4.32Å; N171-V177 PolarHBondContact O-N 3Å; E172-V177 PolarHBondContact N-O 3Å; F175-V177 HydrophobicContact CB-CG2 3.93Å; F175-V177 PolarHBondContact O-N 3.13Å | ||
| 178 | T | 84 | Confident | 79.9 | Confident | 104 Ų | 104 | 102.2 Ų | 102.2 | 64% | 0.638 | 51% | 0.509 | S | S | * | . | trans | -69.1 | 145.1 | 164.9 | 55 | 0 | 0 | 0 | 0 | 110.6 | E172 G176 | E172-T178 HydrophobicContact CG-CG2 4.29Å; G176-T178 PolarHBondContact O-N 2.97Å | ||
| 179 | T | 79.6 | Confident | 78.5 | Confident | 61 Ų | 61 | 104.8 Ų | 104.8 | 37% | 0.374 | 52% | 0.524 | S | S | . | . | trans | -114.6 | 145.5 | 179.1 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | F168 Y181 | F168-T179 HydrophobicContact CB-CG2 4.08Å; F168-T179 WeakPolarHBondContact CB-OG1 3.44Å; F168-T179 HydrophobicContact CD1-CG2 3.44Å; F168-T179 VanDerWaalsContact CD1-CG2 3.44Å; F168-T179 HydrophobicContact CD2-CG2 4.45Å; F168-T179 VanDerWaalsContact CD2-OG1 3.31Å; F168-T179 WeakPolarHBondContact CD2-OG1 3.42Å; F168-T179 HydrophobicContact CE1-CG2 3.94Å; F168-T179 HydrophobicContact CG-CG2 3.73Å; F168-T179 VanDerWaalsContact CG-OG1 3.22Å; F168-T179 WeakPolarHBondContact CG-OG1 3.46Å; T179-Y181 VanDerWaalsContact C-N 3.34Å | ||
| 180 | D | 81.8 | Confident | 76.9 | Confident | 119 Ų | 119 | 106.7 Ų | 106.7 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | trans | -96.7 | 20 | 174.3 | 62.5 | -37.1 | 0 | 0 | 0 | 112.9 | D182 Q187 | D180-D182 PolarHBondContact O-N 3.11Å; D180-Q187 PolarHBondContact O-NE2 3.14Å; D180-Q187 VanDerWaalsContact O-NE2 3.11Å; D180-Q187 PolarHBondContact OD2-NE2 2.92Å | ||
| 181 | Y | 77.8 | Confident | 75.1 | Confident | 123 Ų | 123 | 111.2 Ų | 111.2 | 48% | 0.482 | 54% | 0.544 | S | S | . | . | trans | -63 | 124.3 | 177.6 | 178 | -92 | 0 | 0 | 0 | 111.5 | A164 F168 T179 E183 | A164-Y181 HydrophobicContact CB-CE1 4.49Å; F168-Y181 VanDerWaalsContact CE2-CB 3.48Å; F168-Y181 AromaticContact CE2-CD1 3.54Å; F168-Y181 HydrophobicContact CE2-CD1 3.54Å; F168-Y181 HydrophobicContact CE2-CD2 4.2Å; F168-Y181 HydrophobicContact CE2-CE1 4.28Å; F168-Y181 AromaticContact CE2-CG 3.47Å; F168-Y181 HydrophobicContact CE2-CG 3.47Å; F168-Y181 VanDerWaalsContact CE2-CG 3.47Å; F168-Y181 HydrophobicContact CZ-CD1 4.12Å; F168-Y181 AromaticContact CZ-CD2 3.93Å; F168-Y181 HydrophobicContact CZ-CD2 3.93Å; F168-Y181 AromaticContact CZ-CG 3.65Å; F168-Y181 HydrophobicContact CZ-CG 3.65Å; T179-Y181 VanDerWaalsContact C-N 3.34Å; Y181-E183 HydrophobicContact CE1-CB 4.13Å | ||
| 182 | D | 73.8 | Confident | 73.5 | Confident | 51 Ų | 51 | 117.2 Ų | 117.2 | 27% | 0.273 | 58% | 0.576 | S | S | . | * | trans | -111.4 | 128 | 165.9 | 166 | 28.6 | 0 | 0 | 0 | 108.5 | D180 N184 L185 Q186 | D180-D182 PolarHBondContact O-N 3.11Å; D182-N184 PolarHBondContact O-N 3.45Å; D182-N184 WeakPolarHBondContact OD1-CB 3.27Å; D182-N184 PolarHBondContact OD1-N 3.15Å; D182-N184 PolarHBondContact OD1-ND2 3.06Å; D182-L185 WeakPolarHBondContact O-CA 3.43Å; D182-L185 PolarHBondContact O-N 3.35Å; D182-Q186 WeakPolarHBondContact OD2-CB 3.45Å; D182-Q186 WeakPolarHBondContact OD2-CG 3.38Å; D182-Q186 PolarHBondContact OD2-N 2.91Å | ||
| 183 | E | 75.1 | Confident | 71.5 | Confident | 163 Ų | 163 | 118.6 Ų | 118.6 | 76% | 0.762 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -28.7 | 178.4 | -171.2 | 177.2 | -160.9 | 0 | 0 | 112.1 | Y181 L185 | Y181-E183 HydrophobicContact CE1-CB 4.13Å; E183-L185 PolarHBondContact O-N 3.16Å |
| 184 | N | 73.7 | Confident | 69.6 | Low | 107 Ų | 107 | 116.2 Ų | 116.2 | 57% | 0.572 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -1.4 | 173.4 | -54.2 | -85 | 0 | 0 | 0 | 113 | D182 Q186 N189 | D182-N184 PolarHBondContact O-N 3.45Å; D182-N184 WeakPolarHBondContact OD1-CB 3.27Å; D182-N184 PolarHBondContact OD1-N 3.15Å; D182-N184 PolarHBondContact OD1-ND2 3.06Å; N184-Q186 HydrophobicContact CB-CG 4.15Å; N184-Q186 PolarHBondContact O-N 3.17Å; N184-Q186 VanDerWaalsContact O-N 3.17Å; N184-N189 PolarHBondContact O-ND2 2.86Å |
| 185 | L | 71 | Confident | 67.2 | Low | 79 Ų | 79 | 114.4 Ų | 114.4 | 41% | 0.414 | 57% | 0.569 | S | S | . | * | trans | 53.1 | 30.7 | -177.9 | -77.5 | 161 | 0 | 0 | 0 | 113.2 | D182 E183 Q187 Y188 N189 | D182-L185 WeakPolarHBondContact O-CA 3.43Å; D182-L185 PolarHBondContact O-N 3.35Å; E183-L185 PolarHBondContact O-N 3.16Å; L185-Q187 PolarHBondContact O-N 2.93Å; L185-Y188 HydrophobicContact CD2-CD2 3.95Å; L185-Y188 CarbonylContact O-C 3.43Å; L185-Y188 WeakPolarHBondContact O-CA 3.26Å; L185-Y188 PolarHBondContact O-N 2.92Å; L185-N189 WeakPolarHBondContact CB-ND2 3.38Å; L185-N189 WeakPolarHBondContact O-CB 3.41Å; L185-N189 PolarHBondContact O-N 3.41Å | ||
| 186 | Q | 68.7 | Low | 65.4 | Low | 113 Ų | 113 | 110.5 Ų | 110.5 | 53% | 0.528 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -52.3 | -31.2 | -172.2 | -74.2 | -83.8 | -40.5 | 0 | 0 | 114.2 | D182 N184 Y188 | D182-Q186 WeakPolarHBondContact OD2-CB 3.45Å; D182-Q186 WeakPolarHBondContact OD2-CG 3.38Å; D182-Q186 PolarHBondContact OD2-N 2.91Å; N184-Q186 HydrophobicContact CB-CG 4.15Å; N184-Q186 PolarHBondContact O-N 3.17Å; N184-Q186 VanDerWaalsContact O-N 3.17Å; Q186-Y188 VanDerWaalsContact C-N 3.3Å; Q186-Y188 PolarHBondContact O-N 3.36Å |
| 187 | Q | 67.9 | Low | 63.7 | Low | 114 Ų | 114 | 110.6 Ų | 110.6 | 53% | 0.533 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -36.4 | 174.6 | -56.2 | -165.4 | 10.9 | 0 | 0 | 113.3 | D180 L185 | D180-Q187 PolarHBondContact O-NE2 3.14Å; D180-Q187 VanDerWaalsContact O-NE2 3.11Å; D180-Q187 PolarHBondContact OD2-NE2 2.92Å; L185-Q187 PolarHBondContact O-N 2.93Å |
| 188 | Y | 61.1 | Low | 62.1 | Low | 174 Ų | 174 | 112 Ų | 112 | 68% | 0.682 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -31.4 | 178.6 | -69.6 | -86.6 | 0 | 0 | 0 | 112.5 | L185 Q186 R190 Y191 | L185-Y188 HydrophobicContact CD2-CD2 3.95Å; L185-Y188 CarbonylContact O-C 3.43Å; L185-Y188 WeakPolarHBondContact O-CA 3.26Å; L185-Y188 PolarHBondContact O-N 2.92Å; Q186-Y188 VanDerWaalsContact C-N 3.3Å; Q186-Y188 PolarHBondContact O-N 3.36Å; Y188-R190 VanDerWaalsContact C-N 3.26Å; Y188-R190 PolarHBondContact O-N 3.44Å; Y188-Y191 VanDerWaalsContact O-CD2 3.26Å; Y188-Y191 WeakPolarHBondContact O-CD2 3.28Å; Y188-Y191 VanDerWaalsContact O-CE2 3.27Å; Y188-Y191 WeakPolarHBondContact O-CE2 3.46Å |
| 189 | N | 57.1 | Low | 60.2 | Low | 89 Ų | 89 | 113.1 Ų | 113.1 | 48% | 0.476 | 55% | 0.549 | S | S | . | . | trans | -85.1 | 18.1 | -175.7 | -77.7 | -16 | 0 | 0 | 0 | 114.2 | N184 L185 Y191 | N184-N189 PolarHBondContact O-ND2 2.86Å; L185-N189 WeakPolarHBondContact CB-ND2 3.38Å; L185-N189 WeakPolarHBondContact O-CB 3.41Å; L185-N189 PolarHBondContact O-N 3.41Å; N189-Y191 PolarHBondContact O-N 3.28Å | ||
| 190 | R | 51.2 | Low | 58.9 | Low | 177 Ų | 177 | 115.6 Ų | 115.6 | 67% | 0.668 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 20.3 | 169.9 | -92.3 | -170.3 | -177.8 | -168.9 | 3.5 | 114.9 | Y188 D192 D193 L194 | Y188-R190 VanDerWaalsContact C-N 3.26Å; Y188-R190 PolarHBondContact O-N 3.44Å; R190-D192 VanDerWaalsContact C-N 3.29Å; R190-D192 PolarHBondContact O-N 2.96Å; R190-D193 CarbonylContact O-C 3.57Å; R190-L194 WeakPolarHBondContact O-CA 3.38Å; R190-L194 WeakPolarHBondContact O-CG 3.35Å; R190-L194 PolarHBondContact O-N 3.03Å |
| 191 | Y | 48 | Very low | 56.9 | Low | 176 Ų | 176 | 115.8 Ų | 115.8 | 69% | 0.69 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -18.2 | 177.3 | -78.3 | -85.8 | 0 | 0 | 0 | 113.9 | Y188 N189 L194 | Y188-Y191 VanDerWaalsContact O-CD2 3.26Å; Y188-Y191 WeakPolarHBondContact O-CD2 3.28Å; Y188-Y191 VanDerWaalsContact O-CE2 3.27Å; Y188-Y191 WeakPolarHBondContact O-CE2 3.46Å; N189-Y191 PolarHBondContact O-N 3.28Å; Y191-L194 HydrophobicContact CD1-CD1 3.59Å; Y191-L194 HydrophobicContact CE1-CD1 4.13Å; Y191-L194 HydrophobicContact CG-CD1 4.33Å; Y191-L194 WeakPolarHBondContact O-CB 3.25Å |
| 192 | D | 52.5 | Low | 55.5 | Low | 163 Ų | 163 | 115.5 Ų | 115.5 | 87% | 0.872 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -91.4 | -41.1 | 173.3 | -67.7 | -17.2 | 0 | 0 | 0 | 111.6 | R190 L194 | R190-D192 VanDerWaalsContact C-N 3.29Å; R190-D192 PolarHBondContact O-N 2.96Å; D192-L194 PolarHBondContact O-N 3.47Å |
| 193 | D | 47 | Very low | 54 | Low | 133 Ų | 133 | 122.3 Ų | 122.3 | 71% | 0.711 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -85 | 38.5 | 168.3 | -83.7 | -22.8 | 0 | 0 | 0 | 112 | R190 N195 | R190-D193 CarbonylContact O-C 3.57Å; D193-N195 PolarHBondContact O-N 3.01Å |
| 194 | L | 46.6 | Very low | 52.4 | Low | 89 Ų | 89 | 118.2 Ų | 118.2 | 47% | 0.466 | 60% | 0.602 | S | S | . | * | trans | -78.8 | 57.4 | -176.2 | -127.5 | -176.3 | 0 | 0 | 0 | 112.1 | R190 Y191 D192 L196 | R190-L194 WeakPolarHBondContact O-CA 3.38Å; R190-L194 WeakPolarHBondContact O-CG 3.35Å; R190-L194 PolarHBondContact O-N 3.03Å; Y191-L194 HydrophobicContact CD1-CD1 3.59Å; Y191-L194 HydrophobicContact CE1-CD1 4.13Å; Y191-L194 HydrophobicContact CG-CD1 4.33Å; Y191-L194 WeakPolarHBondContact O-CB 3.25Å; D192-L194 PolarHBondContact O-N 3.47Å; L194-L196 HydrophobicContact CD2-CG 4.15Å; L194-L196 PolarHBondContact O-N 3.01Å | ||
| 195 | N | 38.7 | Very low | 51 | Low | 80 Ų | 80 | 116.5 Ų | 116.5 | 43% | 0.428 | 60% | 0.598 | S | S | . | * | trans | -63.3 | 113.5 | 157.2 | -167 | -5 | 0 | 0 | 0 | 107.2 | D193 V197 E210 | D193-N195 PolarHBondContact O-N 3.01Å; N195-V197 PolarHBondContact O-N 3.42Å; N195-E210 PolarHBondContact ND2-OE1 3.03Å; N195-E210 WeakPolarHBondContact OD1-CG 3.38Å | ||
| 196 | L | 48.8 | Very low | 49.8 | Very low | 71 Ų | 71 | 118.3 Ų | 118.3 | 37% | 0.372 | 61% | 0.613 | S | S | . | * | trans | -84.7 | 67.2 | -152.8 | -148 | 174.8 | 0 | 0 | 0 | 111.1 | L194 L198 V211 | L194-L196 HydrophobicContact CD2-CG 4.15Å; L194-L196 PolarHBondContact O-N 3.01Å; L196-L198 HydrophobicContact CD2-CB 3.97Å; L196-L198 PolarHBondContact O-N 3.17Å; L196-V211 HydrophobicContact CB-CG2 4.15Å; L196-V211 HydrophobicContact CD1-CG2 4.13Å | ||
| 197 | V | 48.9 | Very low | 48.4 | Very low | 60 Ų | 60 | 116.7 Ų | 116.7 | 36% | 0.364 | 61% | 0.613 | S | S | . | * | trans | -69.4 | 75.3 | 170.6 | -170 | 0 | 0 | 0 | 0 | 109 | N195 L199 | N195-V197 PolarHBondContact O-N 3.42Å; V197-L199 HydrophobicContact CG1-CD1 3.9Å; V197-L199 HydrophobicContact CG1-CG 4.31Å; V197-L199 PolarHBondContact O-N 2.75Å; V197-L199 VanDerWaalsContact O-N 3.09Å | ||
| 198 | L | 50.9 | Low | 47.2 | Very low | 105 Ų | 105 | 114.7 Ų | 114.7 | 55% | 0.55 | 61% | 0.612 | S | S | . | * | trans | -65 | 102.1 | 162.3 | -174.2 | 73.5 | 0 | 0 | 0 | 106.7 | L196 L200 | L196-L198 HydrophobicContact CD2-CB 3.97Å; L196-L198 PolarHBondContact O-N 3.17Å; L198-L200 HydrophobicContact CD2-CD1 3.85Å; L198-L200 HydrophobicContact CD2-CG 4Å; L198-L200 HydrophobicContact CG-CG 4.22Å; L198-L200 PolarHBondContact O-N 2.76Å | ||
| 199 | L | 45 | Very low | 46.6 | Very low | 128 Ų | 128 | 110.6 Ų | 110.6 | 67% | 0.67 | 60% | 0.604 | S | S | * | * | trans | -69.4 | 74.5 | 175.6 | -81.8 | 96.9 | 0 | 0 | 0 | 110.8 | V197 T201 | V197-L199 HydrophobicContact CG1-CD1 3.9Å; V197-L199 HydrophobicContact CG1-CG 4.31Å; V197-L199 PolarHBondContact O-N 2.75Å; V197-L199 VanDerWaalsContact O-N 3.09Å; L199-T201 PolarHBondContact O-N 2.81Å; L199-T201 VanDerWaalsContact O-N 3.12Å | ||
| 200 | L | 51.1 | Low | 46.4 | Very low | 113 Ų | 113 | 112.6 Ų | 112.6 | 59% | 0.592 | 61% | 0.611 | S | S | * | * | trans | -72 | 93.4 | 158.8 | -79.1 | 168 | 0 | 0 | 0 | 107.7 | L198 I202 | L198-L200 HydrophobicContact CD2-CD1 3.85Å; L198-L200 HydrophobicContact CD2-CG 4Å; L198-L200 HydrophobicContact CG-CG 4.22Å; L198-L200 PolarHBondContact O-N 2.76Å; L200-I202 HydrophobicContact CB-CG1 4.45Å; L200-I202 PolarHBondContact O-N 3.09Å | ||
| 201 | T | 40.3 | Very low | 46.6 | Very low | 123 Ų | 123 | 107 Ų | 107 | 76% | 0.755 | 60% | 0.596 | S | S | * | * | trans | -69.5 | 74.9 | 175.8 | -51.5 | 0 | 0 | 0 | 0 | 110.7 | L199 | L199-T201 PolarHBondContact O-N 2.81Å; L199-T201 VanDerWaalsContact O-N 3.12Å | ||
| 202 | I | 48.7 | Very low | 47.1 | Very low | 118 Ų | 118 | 104 Ų | 104 | 61% | 0.605 | 59% | 0.592 | S | S | * | * | trans | -90.5 | 109.6 | 168.3 | -56.9 | 175.8 | 0 | 0 | 0 | 106.9 | L200 G204 S205 | L200-I202 HydrophobicContact CB-CG1 4.45Å; L200-I202 PolarHBondContact O-N 3.09Å; I202-G204 VanDerWaalsContact C-N 3.34Å; I202-G204 PolarHBondContact O-N 2.95Å; I202-G204 VanDerWaalsContact O-N 3.09Å; I202-S205 PolarHBondContact O-N 3.07Å | ||
| 203 | E | 41.9 | Very low | 47.6 | Very low | 193 Ų | 193 | 103.7 Ų | 103.7 | 90% | 0.902 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 45.9 | 47 | 165.9 | -57.3 | -168.9 | 160.5 | 0 | 0 | 115.9 | S205 | E203-S205 VanDerWaalsContact C-N 3.31Å; E203-S205 PolarHBondContact O-N 3.12Å |
| 204 | G | 41.3 | Very low | 48.3 | Very low | 77 Ų | 77 | 101 Ų | 101 | 79% | 0.794 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77 | 4.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | I202 | I202-G204 VanDerWaalsContact C-N 3.34Å; I202-G204 PolarHBondContact O-N 2.95Å; I202-G204 VanDerWaalsContact O-N 3.09Å |
| 205 | S | 43.8 | Very low | 49.7 | Very low | 71 Ų | 71 | 97.9 Ų | 97.9 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | trans | -101.4 | 123.3 | 175.5 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | I202 E203 C207 | I202-S205 PolarHBondContact O-N 3.07Å; E203-S205 VanDerWaalsContact C-N 3.31Å; E203-S205 PolarHBondContact O-N 3.12Å; S205-C207 PolarHBondContact O-N 3.32Å; S205-C207 VanDerWaalsContact O-N 3.1Å; S205-C207 PolarHBondContact OG-SG 3.17Å | ||
| 206 | V | 45.5 | Very low | 51.4 | Low | 118 Ų | 118 | 99.7 Ų | 99.7 | 72% | 0.715 | 58% | 0.578 | S | S | * | * | trans | -80.1 | 91.6 | 175 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | S208 | V206-S208 PolarHBondContact O-N 3.18Š| ||
| 207 | C | 40.2 | Very low | 52.6 | Low | 78 Ų | 78 | 102.9 Ų | 102.9 | 53% | 0.527 | 59% | 0.591 | S | S | . | * | trans | -91.7 | 93.8 | 178.4 | -66.1 | 0 | 0 | 0 | 0 | 111.1 | S205 V209 | S205-C207 PolarHBondContact O-N 3.32Å; S205-C207 VanDerWaalsContact O-N 3.1Å; S205-C207 PolarHBondContact OG-SG 3.17Å; C207-V209 PolarHBondContact O-N 2.84Å; C207-V209 VanDerWaalsContact O-N 3.14Å | ||
| 208 | S | 43.4 | Very low | 53.8 | Low | 73 Ų | 73 | 104.6 Ų | 104.6 | 51% | 0.51 | 59% | 0.591 | S | S | . | * | trans | -69.4 | 101.6 | 169.3 | 52.2 | 0 | 0 | 0 | 0 | 110.8 | V206 E210 | V206-S208 PolarHBondContact O-N 3.18Å; S208-E210 PolarHBondContact O-N 2.78Å | ||
| 209 | V | 48.4 | Very low | 55.2 | Low | 87 Ų | 87 | 105.7 Ų | 105.7 | 53% | 0.527 | 59% | 0.591 | S | S | . | * | trans | -89.3 | 97.6 | 176.6 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | C207 V211 | C207-V209 PolarHBondContact O-N 2.84Å; C207-V209 VanDerWaalsContact O-N 3.14Å; V209-V211 HydrophobicContact CG1-CG2 4.5Å; V209-V211 PolarHBondContact O-N 2.8Å; V209-V211 VanDerWaalsContact O-N 3.09Å | ||
| 210 | E | 52.7 | Low | 57 | Low | 132 Ų | 132 | 103.8 Ų | 103.8 | 62% | 0.617 | 59% | 0.585 | S | S | * | * | trans | -64 | 111.8 | 168.3 | -49 | -151.4 | 158.3 | 0 | 0 | 108.6 | N195 S208 D212 | N195-E210 PolarHBondContact ND2-OE1 3.03Å; N195-E210 WeakPolarHBondContact OD1-CG 3.38Å; S208-E210 PolarHBondContact O-N 2.78Å; E210-D212 PolarHBondContact O-N 2.8Å | ||
| 211 | V | 55.4 | Low | 58.4 | Low | 59 Ų | 59 | 104.3 Ų | 104.3 | 36% | 0.358 | 58% | 0.582 | S | S | . | * | trans | -78.5 | 91.6 | -177.9 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | L196 V209 K213 Y218 | L196-V211 HydrophobicContact CB-CG2 4.15Å; L196-V211 HydrophobicContact CD1-CG2 4.13Å; V209-V211 HydrophobicContact CG1-CG2 4.5Å; V209-V211 PolarHBondContact O-N 2.8Å; V209-V211 VanDerWaalsContact O-N 3.09Å; V211-K213 PolarHBondContact O-N 2.92Å; V211-Y218 HydrophobicContact CG1-CD2 3.66Å; V211-Y218 HydrophobicContact CG1-CE2 3.79Å | ||
| 212 | D | 56.9 | Low | 60.2 | Low | 114 Ų | 114 | 105.1 Ų | 105.1 | 61% | 0.61 | 57% | 0.572 | S | S | * | * | trans | -64.5 | 88.3 | 179 | -134.4 | -24 | 0 | 0 | 0 | 111 | E210 S214 G215 | E210-D212 PolarHBondContact O-N 2.8Å; D212-S214 PolarHBondContact O-N 3.26Å; D212-S214 PolarHBondContact OD1-OG 3.22Å; D212-G215 PolarHBondContact O-N 3.19Å | ||
| 213 | K | 63.6 | Low | 61.8 | Low | 156 Ų | 156 | 102.1 Ų | 102.1 | 68% | 0.678 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -15 | 179.4 | -62.6 | 172.2 | -172.9 | 170.6 | 0 | 112.8 | V211 Y218 | V211-K213 PolarHBondContact O-N 2.92Å; K213-Y218 HydrophobicContact CB-CE1 4.45Å |
| 214 | S | 62 | Low | 64 | Low | 77 Ų | 77 | 98.6 Ų | 98.6 | 54% | 0.538 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -28.4 | 173.8 | 70.5 | 0 | 0 | 0 | 0 | 113.3 | D212 K219 | D212-S214 PolarHBondContact O-N 3.26Å; D212-S214 PolarHBondContact OD1-OG 3.22Å; S214-K219 PolarHBondContact O-NZ 3.27Å; S214-K219 VanDerWaalsContact O-NZ 3.17Å |
| 215 | G | 75.5 | Confident | 65.9 | Low | 22 Ų | 22 | 97.6 Ų | 97.6 | 23% | 0.227 | 53% | 0.533 | C | S | . | . | S | Bend | trans | -65.3 | 147 | -166 | 0 | 0 | 0 | 0 | 0 | 114.8 | D212 E217 Y218 K219 | D212-G215 PolarHBondContact O-N 3.19Å; G215-E217 VanDerWaalsContact C-N 3.32Å; G215-E217 PolarHBondContact O-N 2.84Å; G215-Y218 PolarHBondContact O-N 3.17Å; G215-K219 PolarHBondContact O-N 3Å |
| 216 | V | 75 | Confident | 67.9 | Low | 119 Ų | 119 | 98.3 Ų | 98.3 | 72% | 0.721 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.9 | -41.2 | 177.9 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | Y218 K219 V220 | V216-Y218 PolarHBondContact O-N 3.46Å; V216-K219 PolarHBondContact O-N 2.81Å; V216-V220 HydrophobicContact CG1-CG2 4.48Å; V216-V220 WeakPolarHBondContact O-CG2 3.38Å; V216-V220 PolarHBondContact O-N 2.95Å |
| 217 | E | 74 | Confident | 69.9 | Low | 138 Ų | 138 | 101.1 Ų | 101.1 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.3 | -39.6 | 176.3 | -67.4 | -168.2 | -158 | 0 | 0 | 113.4 | G215 K219 V220 K221 | G215-E217 VanDerWaalsContact C-N 3.32Å; G215-E217 PolarHBondContact O-N 2.84Å; E217-K219 VanDerWaalsContact C-N 3.3Å; E217-K219 PolarHBondContact O-N 3.47Å; E217-V220 PolarHBondContact O-N 2.84Å; E217-K221 WeakPolarHBondContact O-CB 3.4Å; E217-K221 WeakPolarHBondContact O-CG 3.47Å; E217-K221 PolarHBondContact O-N 3Å; E217-K221 IonicContact OE2-NZ 3.73Å; E217-K221 PolarHBondContact OE2-NZ 3.47Å; E217-K221 VanDerWaalsContact OE2-NZ 3.14Å |
| 218 | Y | 73.5 | Confident | 71.9 | Confident | 95 Ų | 95 | 102 Ų | 102 | 37% | 0.373 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 176.3 | -179.2 | -92.4 | 0 | 0 | 0 | 110.4 | V211 K213 G215 V216 K221 Y222 | V211-Y218 HydrophobicContact CG1-CD2 3.66Å; V211-Y218 HydrophobicContact CG1-CE2 3.79Å; K213-Y218 HydrophobicContact CB-CE1 4.45Å; G215-Y218 PolarHBondContact O-N 3.17Å; V216-Y218 PolarHBondContact O-N 3.46Å; Y218-K221 PolarHBondContact O-N 3.18Å; Y218-Y222 VanDerWaalsContact O-CB 3.23Å; Y218-Y222 WeakPolarHBondContact O-CB 3.32Å; Y218-Y222 PolarHBondContact O-N 3.18Å |
| 219 | K | 80.6 | Confident | 73.6 | Confident | 128 Ų | 128 | 100.4 Ų | 100.4 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.9 | -37.4 | 177 | -68.2 | 170.4 | -178.4 | 161.4 | 0 | 112.9 | S214 G215 V216 E217 A223 | S214-K219 PolarHBondContact O-NZ 3.27Å; S214-K219 VanDerWaalsContact O-NZ 3.17Å; G215-K219 PolarHBondContact O-N 3Å; V216-K219 PolarHBondContact O-N 2.81Å; E217-K219 VanDerWaalsContact C-N 3.3Å; E217-K219 PolarHBondContact O-N 3.47Å; K219-A223 WeakPolarHBondContact O-CB 3.42Å; K219-A223 PolarHBondContact O-N 3.24Å |
| 220 | V | 84.1 | Confident | 75.4 | Confident | 88 Ų | 88 | 101.6 Ų | 101.6 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.9 | -49 | 174.8 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | V216 E217 Y222 A223 E224 | V216-V220 HydrophobicContact CG1-CG2 4.48Å; V216-V220 WeakPolarHBondContact O-CG2 3.38Å; V216-V220 PolarHBondContact O-N 2.95Å; E217-V220 PolarHBondContact O-N 2.84Å; V220-Y222 VanDerWaalsContact C-N 3.32Å; V220-Y222 PolarHBondContact O-N 2.98Å; V220-A223 PolarHBondContact O-N 2.96Å; V220-E224 WeakPolarHBondContact O-CB 3.24Å; V220-E224 PolarHBondContact O-N 3.35Å |
| 221 | K | 79.6 | Confident | 77 | Confident | 125 Ų | 125 | 99.8 Ų | 99.8 | 54% | 0.543 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -36.6 | 177.3 | -71.9 | 168.8 | -179.7 | 158.4 | 0 | 112 | E217 Y218 E224 A225 | E217-K221 WeakPolarHBondContact O-CB 3.4Å; E217-K221 WeakPolarHBondContact O-CG 3.47Å; E217-K221 PolarHBondContact O-N 3Å; E217-K221 IonicContact OE2-NZ 3.73Å; E217-K221 PolarHBondContact OE2-NZ 3.47Å; E217-K221 VanDerWaalsContact OE2-NZ 3.14Å; Y218-K221 PolarHBondContact O-N 3.18Å; K221-E224 PolarHBondContact O-N 2.97Å; K221-A225 WeakPolarHBondContact O-CB 3.23Å; K221-A225 PolarHBondContact O-N 2.78Å |
| 222 | Y | 78.5 | Confident | 78.1 | Confident | 139 Ų | 139 | 101.6 Ų | 101.6 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -46.5 | 173.3 | -172.3 | -82.8 | 0 | 0 | 0 | 111.8 | Y218 V220 E224 A225 E226 | Y218-Y222 VanDerWaalsContact O-CB 3.23Å; Y218-Y222 WeakPolarHBondContact O-CB 3.32Å; Y218-Y222 PolarHBondContact O-N 3.18Å; V220-Y222 VanDerWaalsContact C-N 3.32Å; V220-Y222 PolarHBondContact O-N 2.98Å; Y222-E224 VanDerWaalsContact C-N 3.3Å; Y222-E224 PolarHBondContact O-N 2.8Å; Y222-A225 PolarHBondContact O-N 2.86Å; Y222-E226 WeakPolarHBondContact O-CB 3.48Å; Y222-E226 PolarHBondContact O-N 2.85Å |
| 223 | A | 82.2 | Confident | 79.2 | Confident | 56 Ų | 56 | 102.7 Ų | 102.7 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66 | -31.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | K219 V220 R227 | K219-A223 WeakPolarHBondContact O-CB 3.42Å; K219-A223 PolarHBondContact O-N 3.24Å; V220-A223 PolarHBondContact O-N 2.96Å; A223-R227 WeakPolarHBondContact O-CB 3.45Å; A223-R227 PolarHBondContact O-N 3.14Å |
| 224 | E | 87.1 | Confident | 80.1 | Confident | 118 Ų | 118 | 99 Ų | 99 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.7 | -44.3 | 171.9 | -177.2 | 167.9 | -144.4 | 0 | 0 | 111.9 | V220 K221 Y222 R227 L228 | V220-E224 WeakPolarHBondContact O-CB 3.24Å; V220-E224 PolarHBondContact O-N 3.35Å; K221-E224 PolarHBondContact O-N 2.97Å; Y222-E224 VanDerWaalsContact C-N 3.3Å; Y222-E224 PolarHBondContact O-N 2.8Å; E224-R227 WeakPolarHBondContact O-CB 3.37Å; E224-R227 PolarHBondContact O-N 2.89Å; E224-L228 HydrophobicContact CG-CD1 4.4Å; E224-L228 WeakPolarHBondContact O-CG 3.49Å; E224-L228 PolarHBondContact O-N 2.92Å |
| 225 | A | 82.3 | Confident | 81.1 | Confident | 56 Ų | 56 | 98.9 Ų | 98.9 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K221 Y222 R227 L228 A229 | K221-A225 WeakPolarHBondContact O-CB 3.23Å; K221-A225 PolarHBondContact O-N 2.78Å; Y222-A225 PolarHBondContact O-N 2.86Å; A225-R227 VanDerWaalsContact C-N 3.29Å; A225-R227 PolarHBondContact O-N 3.24Å; A225-L228 PolarHBondContact O-N 2.72Å; A225-A229 WeakPolarHBondContact O-CB 3.48Å; A225-A229 PolarHBondContact O-N 3.48Å |
| 226 | E | 84.6 | Confident | 81.2 | Confident | 86 Ų | 86 | 102.1 Ų | 102.1 | 40% | 0.402 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.8 | -36 | 175.1 | -167.4 | -168.8 | 145.5 | 0 | 0 | 111.8 | Y222 K230 | Y222-E226 WeakPolarHBondContact O-CB 3.48Å; Y222-E226 PolarHBondContact O-N 2.85Å; E226-K230 WeakPolarHBondContact O-CG 3.35Å; E226-K230 PolarHBondContact O-N 2.98Å; E226-K230 IonicContact OE1-NZ 2.56Å; E226-K230 PolarHBondContact OE1-NZ 2.97Å |
| 227 | R | 87.9 | Confident | 81.4 | Confident | 178 Ų | 178 | 98.9 Ų | 98.9 | 67% | 0.672 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.9 | -42.7 | 172.4 | 178.4 | -178.4 | 177.2 | 134.6 | 2.4 | 111.8 | A223 E224 A225 K230 I231 | A223-R227 WeakPolarHBondContact O-CB 3.45Å; A223-R227 PolarHBondContact O-N 3.14Å; E224-R227 WeakPolarHBondContact O-CB 3.37Å; E224-R227 PolarHBondContact O-N 2.89Å; A225-R227 VanDerWaalsContact C-N 3.29Å; A225-R227 PolarHBondContact O-N 3.24Å; R227-K230 PolarHBondContact O-N 2.83Å; R227-I231 HydrophobicContact CG-CD1 4.01Å; R227-I231 WeakPolarHBondContact O-CD1 3.43Å; R227-I231 VanDerWaalsContact O-CG1 3.29Å; R227-I231 WeakPolarHBondContact O-CG1 3.39Å; R227-I231 PolarHBondContact O-N 3.03Å; R227-I231 VanDerWaalsContact O-N 3.13Å |
| 228 | L | 81.5 | Confident | 81.4 | Confident | 97 Ų | 97 | 93.8 Ų | 93.8 | 51% | 0.508 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 178.1 | -74.8 | 168.7 | 0 | 0 | 0 | 111.7 | E224 A225 K230 I231 I232 | E224-L228 HydrophobicContact CG-CD1 4.4Å; E224-L228 WeakPolarHBondContact O-CG 3.49Å; E224-L228 PolarHBondContact O-N 2.92Å; A225-L228 PolarHBondContact O-N 2.72Å; L228-K230 PolarHBondContact O-N 2.78Å; L228-I231 PolarHBondContact O-N 2.81Å; L228-I231 VanDerWaalsContact O-N 3.1Å; L228-I232 WeakPolarHBondContact O-CG1 3.42Å; L228-I232 PolarHBondContact O-N 2.94Å |
| 229 | A | 81 | Confident | 81.6 | Confident | 39 Ų | 39 | 95.4 Ų | 95.4 | 32% | 0.322 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -54.2 | -51.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A225 I231 I232 E233 | A225-A229 WeakPolarHBondContact O-CB 3.48Å; A225-A229 PolarHBondContact O-N 3.48Å; A229-I231 VanDerWaalsContact C-N 3.26Å; A229-I231 PolarHBondContact O-N 2.77Å; A229-I232 WeakPolarHBondContact O-CB 3.45Å; A229-I232 PolarHBondContact O-N 2.95Å; A229-E233 WeakPolarHBondContact O-CG 3.35Å; A229-E233 PolarHBondContact O-N 3.24Å |
| 230 | K | 86.4 | Confident | 81.3 | Confident | 112 Ų | 112 | 97 Ų | 97 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -28 | 177.6 | -70.5 | 170.3 | -174.1 | 173.9 | 0 | 113.8 | E226 R227 L228 A234 | E226-K230 WeakPolarHBondContact O-CG 3.35Å; E226-K230 PolarHBondContact O-N 2.98Å; E226-K230 IonicContact OE1-NZ 2.56Å; E226-K230 PolarHBondContact OE1-NZ 2.97Å; R227-K230 PolarHBondContact O-N 2.83Å; L228-K230 PolarHBondContact O-N 2.78Å; K230-A234 WeakPolarHBondContact O-CB 3.4Å; K230-A234 PolarHBondContact O-N 2.64Å; K230-A234 VanDerWaalsContact O-N 3.12Å |
| 231 | I | 85.8 | Confident | 81 | Confident | 94 Ų | 94 | 95.3 Ų | 95.3 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74.2 | -36.8 | 173.6 | -70.8 | 165.3 | 0 | 0 | 0 | 111.1 | R227 L228 A229 N235 | R227-I231 HydrophobicContact CG-CD1 4.01Å; R227-I231 WeakPolarHBondContact O-CD1 3.43Å; R227-I231 VanDerWaalsContact O-CG1 3.29Å; R227-I231 WeakPolarHBondContact O-CG1 3.39Å; R227-I231 PolarHBondContact O-N 3.03Å; R227-I231 VanDerWaalsContact O-N 3.13Å; L228-I231 PolarHBondContact O-N 2.81Å; L228-I231 VanDerWaalsContact O-N 3.1Å; A229-I231 VanDerWaalsContact C-N 3.26Å; A229-I231 PolarHBondContact O-N 2.77Å; I231-N235 PolarHBondContact O-N 2.93Å |
| 232 | I | 77.7 | Confident | 80.7 | Confident | 96 Ų | 96 | 93.1 Ų | 93.1 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.3 | -48.3 | 176 | -66.3 | 163.1 | 0 | 0 | 0 | 110.2 | L228 A229 A234 N235 S238 | L228-I232 WeakPolarHBondContact O-CG1 3.42Å; L228-I232 PolarHBondContact O-N 2.94Å; A229-I232 WeakPolarHBondContact O-CB 3.45Å; A229-I232 PolarHBondContact O-N 2.95Å; I232-A234 VanDerWaalsContact C-N 3.3Å; I232-A234 PolarHBondContact O-N 3.03Å; I232-N235 VanDerWaalsContact O-CB 3.3Å; I232-N235 WeakPolarHBondContact O-CB 3.47Å; I232-N235 PolarHBondContact O-N 2.89Å; I232-S238 WeakPolarHBondContact O-CB 3.31Å |
| 233 | E | 80.5 | Confident | 80.5 | Confident | 138 Ų | 138 | 90.3 Ų | 90.3 | 65% | 0.645 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -58.9 | -37.3 | 175.8 | -70.3 | 165.6 | -168.4 | 0 | 0 | 113 | A229 N235 | A229-E233 WeakPolarHBondContact O-CG 3.35Å; A229-E233 PolarHBondContact O-N 3.24Å; E233-N235 VanDerWaalsContact C-N 3.3Å; E233-N235 PolarHBondContact O-N 3.36Å |
| 234 | A | 81.6 | Confident | 80.1 | Confident | 79 Ų | 79 | 94.3 Ų | 94.3 | 65% | 0.653 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -9.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K230 I232 P236 | K230-A234 WeakPolarHBondContact O-CB 3.4Å; K230-A234 PolarHBondContact O-N 2.64Å; K230-A234 VanDerWaalsContact O-N 3.12Å; I232-A234 VanDerWaalsContact C-N 3.3Å; I232-A234 PolarHBondContact O-N 3.03Å; A234-P236 WeakPolarHBondContact O-CD 3.09Å |
| 235 | N | 83.3 | Confident | 79.2 | Confident | 73 Ų | 73 | 95.6 Ų | 95.6 | 39% | 0.39 | 51% | 0.505 | S | S | . | . | trans | -80.9 | 115.5 | -176.4 | -177.7 | -4.3 | 0 | 0 | 0 | 111.2 | I231 I232 E233 A237 S238 K239 | I231-N235 PolarHBondContact O-N 2.93Å; I232-N235 VanDerWaalsContact O-CB 3.3Å; I232-N235 WeakPolarHBondContact O-CB 3.47Å; I232-N235 PolarHBondContact O-N 2.89Å; E233-N235 VanDerWaalsContact C-N 3.3Å; E233-N235 PolarHBondContact O-N 3.36Å; N235-A237 PolarHBondContact O-N 2.97Å; N235-A237 VanDerWaalsContact O-N 3.08Å; N235-A237 WeakPolarHBondContact OD1-CB 3.28Å; N235-A237 PolarHBondContact OD1-N 3.48Å; N235-S238 PolarHBondContact O-N 3.23Å; N235-K239 PolarHBondContact O-N 3.46Å | ||
| 236 | P | 78 | Confident | 78.6 | Confident | 90 Ų | 90 | 98.4 Ų | 98.4 | 58% | 0.584 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.3 | -3.4 | 179.6 | 31.4 | -37.2 | 0 | 0 | 0 | 114 | A234 R240 | A234-P236 WeakPolarHBondContact O-CD 3.09Å; P236-R240 WeakPolarHBondContact O-CG 3.36Å; P236-R240 PolarHBondContact O-NE 3.35Å |
| 237 | A | 78.4 | Confident | 77.6 | Confident | 51 Ų | 51 | 100.6 Ų | 100.6 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -82.1 | -47.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | N235 K239 R240 A241 | N235-A237 PolarHBondContact O-N 2.97Å; N235-A237 VanDerWaalsContact O-N 3.08Å; N235-A237 WeakPolarHBondContact OD1-CB 3.28Å; N235-A237 PolarHBondContact OD1-N 3.48Å; A237-K239 VanDerWaalsContact C-N 3.35Å; A237-K239 PolarHBondContact O-N 3.35Å; A237-R240 PolarHBondContact O-N 3.47Å; A237-A241 PolarHBondContact O-N 3.17Å |
| 238 | S | 74.6 | Confident | 76.1 | Confident | 32 Ų | 32 | 95.7 Ų | 95.7 | 22% | 0.224 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 176 | -159.2 | 0 | 0 | 0 | 0 | 110.8 | I232 N235 R240 A241 N242 | I232-S238 WeakPolarHBondContact O-CB 3.31Å; N235-S238 PolarHBondContact O-N 3.23Å; S238-R240 PolarHBondContact O-N 3.3Å; S238-A241 WeakPolarHBondContact O-CB 3.4Å; S238-A241 PolarHBondContact O-N 3.29Å; S238-N242 PolarHBondContact O-N 2.85Å; S238-N242 PolarHBondContact O-OD1 3.46Å; S238-N242 VanDerWaalsContact O-OD1 3.08Å |
| 239 | K | 77.1 | Confident | 75.2 | Confident | 129 Ų | 129 | 99.1 Ų | 99.1 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.3 | -44.7 | -179.7 | -165.6 | 164 | -173.9 | 169.6 | 0 | 112.4 | N235 A237 A241 N242 D243 | N235-K239 PolarHBondContact O-N 3.46Å; A237-K239 VanDerWaalsContact C-N 3.35Å; A237-K239 PolarHBondContact O-N 3.35Å; K239-A241 VanDerWaalsContact C-N 3.28Å; K239-A241 PolarHBondContact O-N 2.97Å; K239-N242 PolarHBondContact O-N 3.49Å; K239-D243 WeakPolarHBondContact O-CB 3.49Å; K239-D243 PolarHBondContact O-N 2.86Å; K239-D243 VanDerWaalsContact O-OD2 3.08Å |
| 240 | R | 75.1 | Confident | 74 | Confident | 162 Ų | 162 | 103.5 Ų | 103.5 | 61% | 0.611 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.8 | -27.1 | 173.9 | -77.4 | -177 | -64.9 | 147.4 | 5.1 | 113.9 | P236 A237 S238 L244 | P236-R240 WeakPolarHBondContact O-CG 3.36Å; P236-R240 PolarHBondContact O-NE 3.35Å; A237-R240 PolarHBondContact O-N 3.47Å; S238-R240 PolarHBondContact O-N 3.3Å; R240-L244 WeakPolarHBondContact O-CB 3.35Å; R240-L244 WeakPolarHBondContact O-CD1 3.3Å; R240-L244 VanDerWaalsContact O-CG 3.32Å; R240-L244 WeakPolarHBondContact O-CG 3.39Å; R240-L244 PolarHBondContact O-N 3.42Å |
| 241 | A | 78.1 | Confident | 72.6 | Confident | 52 Ų | 52 | 106.8 Ų | 106.8 | 43% | 0.43 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -70.6 | -47.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | A237 S238 K239 D243 L244 E245 | A237-A241 PolarHBondContact O-N 3.17Å; S238-A241 WeakPolarHBondContact O-CB 3.4Å; S238-A241 PolarHBondContact O-N 3.29Å; K239-A241 VanDerWaalsContact C-N 3.28Å; K239-A241 PolarHBondContact O-N 2.97Å; A241-D243 VanDerWaalsContact C-N 3.34Å; A241-D243 PolarHBondContact O-N 3.45Å; A241-L244 CarbonylContact O-C 3.55Å; A241-L244 PolarHBondContact O-N 3.23Å; A241-E245 WeakPolarHBondContact O-CB 3.35Å; A241-E245 PolarHBondContact O-N 3.44Å |
| 242 | N | 73.4 | Confident | 71.3 | Confident | 79 Ų | 79 | 108.3 Ų | 108.3 | 42% | 0.422 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.7 | -42.9 | 171.3 | -77.2 | 66.4 | 0 | 0 | 0 | 112.1 | S238 K239 E245 N246 | S238-N242 PolarHBondContact O-N 2.85Å; S238-N242 PolarHBondContact O-OD1 3.46Å; S238-N242 VanDerWaalsContact O-OD1 3.08Å; K239-N242 PolarHBondContact O-N 3.49Å; N242-E245 PolarHBondContact O-N 2.89Å; N242-N246 WeakPolarHBondContact O-CB 3.36Å; N242-N246 PolarHBondContact O-N 3.22Å; N242-N246 PolarHBondContact O-ND2 3.28Å |
| 243 | D | 75.1 | Confident | 70.4 | Confident | 79 Ų | 79 | 108.6 Ų | 108.6 | 42% | 0.422 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.1 | -45.4 | 177.7 | -59.5 | -32.2 | 0 | 0 | 0 | 109.7 | K239 A241 E245 N246 D247 | K239-D243 WeakPolarHBondContact O-CB 3.49Å; K239-D243 PolarHBondContact O-N 2.86Å; K239-D243 VanDerWaalsContact O-OD2 3.08Å; A241-D243 VanDerWaalsContact C-N 3.34Å; A241-D243 PolarHBondContact O-N 3.45Å; D243-E245 VanDerWaalsContact C-N 3.34Å; D243-E245 PolarHBondContact O-N 2.9Å; D243-N246 PolarHBondContact O-N 2.87Å; D243-D247 WeakPolarHBondContact O-CB 3.49Å; D243-D247 PolarHBondContact O-N 3.38Å |
| 244 | L | 72.5 | Confident | 69.3 | Low | 141 Ų | 141 | 108 Ų | 108 | 74% | 0.738 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.5 | -25.6 | 174.6 | -78.8 | 165.3 | 0 | 0 | 0 | 114.9 | R240 A241 | R240-L244 WeakPolarHBondContact O-CB 3.35Å; R240-L244 WeakPolarHBondContact O-CD1 3.3Å; R240-L244 VanDerWaalsContact O-CG 3.32Å; R240-L244 WeakPolarHBondContact O-CG 3.39Å; R240-L244 PolarHBondContact O-N 3.42Å; A241-L244 CarbonylContact O-C 3.55Å; A241-L244 PolarHBondContact O-N 3.23Å |
| 245 | E | 69.1 | Low | 67.8 | Low | 144 Ų | 144 | 110.9 Ų | 110.9 | 67% | 0.673 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -82.7 | -17.8 | 175 | -172.3 | 178.8 | -171.1 | 0 | 0 | 112 | A241 N242 D243 | A241-E245 WeakPolarHBondContact O-CB 3.35Å; A241-E245 PolarHBondContact O-N 3.44Å; N242-E245 PolarHBondContact O-N 2.89Å; D243-E245 VanDerWaalsContact C-N 3.34Å; D243-E245 PolarHBondContact O-N 2.9Å |
| 246 | N | 68.4 | Low | 66.1 | Low | 116 Ų | 116 | 117 Ų | 117 | 62% | 0.62 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -108.7 | -18.5 | -179.8 | -72.6 | -94 | 0 | 0 | 0 | 114 | N242 D243 D248 | N242-N246 WeakPolarHBondContact O-CB 3.36Å; N242-N246 PolarHBondContact O-N 3.22Å; N242-N246 PolarHBondContact O-ND2 3.28Å; D243-N246 PolarHBondContact O-N 2.87Å; N246-D248 PolarHBondContact O-N 2.86Å |
| 247 | D | 64.1 | Low | 64.4 | Low | 132 Ų | 132 | 118.2 Ų | 118.2 | 71% | 0.706 | 59% | 0.592 | S | S | * | * | trans | -71.9 | 40.6 | 162.8 | -88.3 | -19.3 | 0 | 0 | 0 | 111.4 | D243 E249 | D243-D247 WeakPolarHBondContact O-CB 3.49Å; D243-D247 PolarHBondContact O-N 3.38Å; D247-E249 PolarHBondContact O-N 3.27Å | ||
| 248 | D | 57.5 | Low | 62.5 | Low | 75 Ų | 75 | 122.2 Ų | 122.2 | 40% | 0.401 | 62% | 0.617 | S | S | . | * | trans | -79.2 | 86.7 | 179.9 | -174.1 | 20.2 | 0 | 0 | 0 | 109.9 | N246 E250 R251 | N246-D248 PolarHBondContact O-N 2.86Å; D248-E250 PolarHBondContact O-N 3.11Å; D248-R251 PolarHBondContact O-N 2.92Å; D248-R251 VanDerWaalsContact O-N 3.11Å | ||
| 249 | E | 60.7 | Low | 60.7 | Low | 168 Ų | 168 | 123.2 Ų | 123.2 | 79% | 0.785 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.3 | -21.8 | -177.4 | -63.7 | -173.9 | -148 | 0 | 0 | 113.1 | D247 R251 D252 | D247-E249 PolarHBondContact O-N 3.27Å; E249-R251 PolarHBondContact O-N 2.93Å; E249-D252 PolarHBondContact O-N 3.05Å; E249-D252 VanDerWaalsContact O-N 3.16Å |
| 250 | E | 57.7 | Low | 58.7 | Low | 132 Ų | 132 | 123.9 Ų | 123.9 | 62% | 0.617 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -60.7 | -24.7 | 178.4 | -59.1 | -153.4 | 160.2 | 0 | 0 | 113.7 | D248 D252 I253 V254 | D248-E250 PolarHBondContact O-N 3.11Å; E250-D252 VanDerWaalsContact C-N 3.27Å; E250-D252 PolarHBondContact O-N 2.87Å; E250-I253 HydrophobicContact CG-CD1 4.45Å; E250-I253 WeakPolarHBondContact O-CB 3.29Å; E250-I253 PolarHBondContact O-N 2.6Å; E250-I253 VanDerWaalsContact O-N 3.14Å; E250-V254 PolarHBondContact O-N 3.13Å |
| 251 | R | 56.6 | Low | 57.2 | Low | 180 Ų | 180 | 121.7 Ų | 121.7 | 68% | 0.679 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -65.5 | -26.4 | 176.2 | -69.3 | -174.2 | 179.9 | -105.3 | 0.3 | 114.1 | D248 E249 Q255 | D248-R251 PolarHBondContact O-N 2.92Å; D248-R251 VanDerWaalsContact O-N 3.11Å; E249-R251 PolarHBondContact O-N 2.93Å; R251-Q255 PolarHBondContact O-NE2 3.15Å; R251-Q255 VanDerWaalsContact O-NE2 3.15Å |
| 252 | D | 58.9 | Low | 55.2 | Low | 127 Ų | 127 | 127 Ų | 127 | 68% | 0.679 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -86.1 | -23.9 | 174.4 | -88.6 | 6.3 | 0 | 0 | 0 | 111.9 | E249 E250 V254 Q255 | E249-D252 PolarHBondContact O-N 3.05Å; E249-D252 VanDerWaalsContact O-N 3.16Å; E250-D252 VanDerWaalsContact C-N 3.27Å; E250-D252 PolarHBondContact O-N 2.87Å; D252-V254 VanDerWaalsContact C-N 3.3Å; D252-V254 PolarHBondContact O-N 3.11Å; D252-Q255 PolarHBondContact O-N 2.89Å |
| 253 | I | 58.1 | Low | 53.5 | Low | 102 Ų | 102 | 129 Ų | 129 | 52% | 0.523 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -65.1 | -35.8 | 174.2 | -56.9 | -179.5 | 0 | 0 | 0 | 110.9 | E250 | E250-I253 HydrophobicContact CG-CD1 4.45Å; E250-I253 WeakPolarHBondContact O-CB 3.29Å; E250-I253 PolarHBondContact O-N 2.6Å; E250-I253 VanDerWaalsContact O-N 3.14Å |
| 254 | V | 57.3 | Low | 51.7 | Low | 125 Ų | 125 | 130 Ų | 130 | 76% | 0.758 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -71.6 | -27.5 | 176.9 | 179.1 | 0 | 0 | 0 | 0 | 112.4 | E250 D252 R256 | E250-V254 PolarHBondContact O-N 3.13Å; D252-V254 VanDerWaalsContact C-N 3.3Å; D252-V254 PolarHBondContact O-N 3.11Å; V254-R256 VanDerWaalsContact C-N 3.26Å; V254-R256 PolarHBondContact O-N 3.22Å; V254-R256 VanDerWaalsContact O-N 3.11Å |
| 255 | Q | 50.5 | Low | 49.8 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | trans | -87.2 | 40.5 | -176.7 | -71.3 | -179.9 | 87.2 | 0 | 0 | 114 | R251 D252 P257 | R251-Q255 PolarHBondContact O-NE2 3.15Å; R251-Q255 VanDerWaalsContact O-NE2 3.15Å; D252-Q255 PolarHBondContact O-N 2.89Å; Q255-P257 WeakPolarHBondContact O-CD 3.15Å | ||
| 256 | R | 46.2 | Very low | 48.6 | Very low | 201 Ų | 201 | 127.4 Ų | 127.4 | 76% | 0.758 | 73% | 0.725 | S | S | * | * | trans | -66 | 124 | 169.5 | -75.8 | -177.8 | 178.8 | 167.9 | 4.2 | 110.3 | V254 S258 | V254-R256 VanDerWaalsContact C-N 3.26Å; V254-R256 PolarHBondContact O-N 3.22Å; V254-R256 VanDerWaalsContact O-N 3.11Å; R256-S258 PolarHBondContact O-N 2.93Å | ||
| 257 | P | 43.2 | Very low | 47.1 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 76% | 0.76 | 73% | 0.729 | S | S | * | * | trans | -68.3 | 118.6 | -177.1 | 26.2 | -33.7 | 0 | 0 | 0 | 111.1 | Q255 G259 | Q255-P257 WeakPolarHBondContact O-CD 3.15Å; P257-G259 PolarHBondContact O-N 3.22Å | ||
| 258 | S | 38 | Very low | 45.9 | Very low | 135 Ų | 135 | 126.3 Ų | 126.3 | 94% | 0.944 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -70.5 | 70.8 | 171 | 45.8 | 0 | 0 | 0 | 0 | 110.9 | R256 | R256-S258 PolarHBondContact O-N 2.93Š|
| 259 | G | 37.4 | Very low | 45 | Very low | 53 Ų | 53 | 128.8 Ų | 128.8 | 55% | 0.546 | 76% | 0.759 | S | S | . | * | trans | -151.5 | 21.4 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | P257 T261 | P257-G259 PolarHBondContact O-N 3.22Å; G259-T261 PolarHBondContact O-N 3.1Å | ||
| 260 | T | 35.9 | Very low | 43.8 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | trans | -76.4 | 57.6 | 175.4 | 36.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 261 | T | 43 | Very low | 42.9 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -124.4 | 88.5 | 174.1 | 55.4 | 0 | 0 | 0 | 0 | 111.6 | G259 | G259-T261 PolarHBondContact O-N 3.1Š|
| 262 | N | 35 | Very low | 41.8 | Very low | 162 Ų | 162 | 125.4 Ų | 125.4 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | trans | 35.5 | 88.8 | 152 | -59.5 | -20.9 | 0 | 0 | 0 | 117.9 | ||||
| 263 | S | 39 | Very low | 40.7 | Very low | 122 Ų | 122 | 123.8 Ų | 123.8 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -154.2 | 121.7 | 157.5 | -84.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 264 | A | 37.2 | Very low | 39.7 | Very low | 101 Ų | 101 | 124.1 Ų | 124.1 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | 19.1 | 113.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 265 | A | 32.2 | Very low | 38.7 | Very low | 95 Ų | 95 | 127.1 Ų | 127.1 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 138.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111 | A267 | A265-A267 PolarHBondContact O-N 2.93Š|
| 266 | P | 44.6 | Very low | 37.8 | Very low | 135 Ų | 135 | 124 Ų | 124 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 121.3 | 169.4 | 30.7 | -32 | 0 | 0 | 0 | 110 | ||
| 267 | A | 35.8 | Very low | 37.3 | Very low | 84 Ų | 84 | 119.2 Ų | 119.2 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 162.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | A265 | A265-A267 PolarHBondContact O-N 2.93Š|
| 268 | V | 38.5 | Very low | 36.8 | Very low | 140 Ų | 140 | 121 Ų | 121 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | 54.8 | 112.1 | 161.5 | -65.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 269 | S | 39.2 | Very low | 36.8 | Very low | 128 Ų | 128 | 120.6 Ų | 120.6 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | -148.1 | 132.8 | 109.5 | -168.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 270 | S | 35.6 | Very low | 36.6 | Very low | 95 Ų | 95 | 126.2 Ų | 126.2 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | trans | -118.3 | 135.3 | -171.4 | 56.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 271 | N | 37.9 | Very low | 36.5 | Very low | 139 Ų | 139 | 128.6 Ų | 128.6 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -167.9 | 118.5 | 145.5 | -92.4 | -29.2 | 0 | 0 | 0 | 107.8 | ||||
| 272 | M | 34.5 | Very low | 36 | Very low | 175 Ų | 175 | 132.9 Ų | 132.9 | 86% | 0.862 | 79% | 0.785 | S | S | * | * | 66.1 | 125 | 91.5 | -71.3 | -159.7 | -176.9 | 0 | 0 | 113.9 | |||||
| 273 | A | 34.7 | Very low | 35.9 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | cis | -164.2 | 168.9 | -4.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 274 | S | 38.6 | Very low | 35.8 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | 86.9 | 128.2 | 151.7 | -142.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 275 | Q | 35.9 | Very low | 35.7 | Very low | 187 Ų | 187 | 138.1 Ų | 138.1 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | 57.5 | 99.5 | 163.2 | -56.9 | -161.9 | 16.4 | 0 | 0 | 120.7 | ||||
| 276 | G | 31 | Very low | 36 | Very low | 74 Ų | 74 | 139 Ų | 139 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | 121.7 | 138.4 | 111.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 277 | S | 37 | Very low | 35.7 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | 67.8 | 103.4 | 163.5 | -152.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 278 | M | 31.1 | Very low | 35.5 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | -66.5 | 131.2 | 156.1 | -71.6 | 171.5 | 164.7 | 0 | 0 | 110 | Y280 | M278-Y280 HydrophobicContact CB-CD2 4.21Å; M278-Y280 HydrophobicContact CB-CE2 4.37Å; M278-Y280 HydrophobicContact CE-CE2 4.17Å; M278-Y280 HydrophobicContact CG-CE2 4.16Å; M278-Y280 HydrophobicContact SD-CD2 4.36Å; M278-Y280 HydrophobicContact SD-CE2 3.82Å | ||
| 279 | M | 39 | Very low | 35.3 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 63% | 0.631 | 78% | 0.784 | S | S | * | * | trans | -128.3 | 78.1 | 160.2 | -79.1 | -71.1 | 159 | 0 | 0 | 109.5 | R282 | M279-R282 PolarHBondContact SD-NE 2.97Š| ||
| 280 | Y | 33.1 | Very low | 35.2 | Very low | 170 Ų | 170 | 144 Ų | 144 | 67% | 0.667 | 79% | 0.785 | S | S | * | * | trans | -62.2 | 142.2 | 161.5 | -74.1 | -85 | 0 | 0 | 0 | 110 | M278 R282 | M278-Y280 HydrophobicContact CB-CD2 4.21Å; M278-Y280 HydrophobicContact CB-CE2 4.37Å; M278-Y280 HydrophobicContact CE-CE2 4.17Å; M278-Y280 HydrophobicContact CG-CE2 4.16Å; M278-Y280 HydrophobicContact SD-CD2 4.36Å; M278-Y280 HydrophobicContact SD-CE2 3.82Å; Y280-R282 PolarHBondContact O-N 2.85Å | ||
| 281 | F | 33.3 | Very low | 35.1 | Very low | 193 Ų | 193 | 149 Ų | 149 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | 17.2 | 84.1 | 158.3 | -58.3 | -81.1 | 0 | 0 | 0 | 117 | S283 | F281-S283 PolarHBondContact O-N 3.41Š| ||
| 282 | R | 32.6 | Very low | 35.2 | Very low | 207 Ų | 207 | 147.9 Ų | 147.9 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | trans | -80.7 | 102.7 | 164.1 | -82.4 | -171.8 | 175.2 | -102.4 | -2.9 | 110.5 | M279 Y280 | M279-R282 PolarHBondContact SD-NE 2.97Å; Y280-R282 PolarHBondContact O-N 2.85Å | ||
| 283 | S | 32.9 | Very low | 35 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | trans | -67.3 | 140.4 | 165.2 | 51.1 | 0 | 0 | 0 | 0 | 110.9 | F281 R285 | F281-S283 PolarHBondContact O-N 3.41Å; S283-R285 PolarHBondContact O-N 3.01Å | ||
| 284 | N | 38.1 | Very low | 35.1 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -79.3 | 60.5 | 171 | -88.9 | -13.5 | 0 | 0 | 0 | 111.2 | ||
| 285 | R | 33.3 | Very low | 34.9 | Very low | 227 Ų | 227 | 144 Ų | 144 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | -135.4 | 89 | 169.8 | -80.4 | -168 | 175.6 | -169.7 | 0.6 | 111.6 | S283 | S283-R285 PolarHBondContact O-N 3.01Š| ||
| 286 | S | 38.9 | Very low | 35.1 | Very low | 113 Ų | 113 | 147 Ų | 147 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -150.1 | 127.6 | 162.1 | -65.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 287 | R | 37.9 | Very low | 35.2 | Very low | 252 Ų | 252 | 147.3 Ų | 147.3 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | cis | 60.5 | 115.8 | 16 | -152.1 | -178.3 | -165.2 | -165.4 | 5.3 | 114.4 | ||||
| 288 | G | 32.8 | Very low | 35.1 | Very low | 79 Ų | 79 | 146.3 Ų | 146.3 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | trans | 96.5 | 111.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 289 | G | 33.5 | Very low | 35.3 | Very low | 73 Ų | 73 | 151.3 Ų | 151.3 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | -111.9 | -176.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 290 | M | 37.1 | Very low | 34.9 | Very low | 188 Ų | 188 | 148.9 Ų | 148.9 | 93% | 0.926 | 82% | 0.819 | S | S | * | * | trans | -155.7 | 144.8 | 167.4 | 39.5 | -160.8 | 69 | 0 | 0 | 110.9 | ||||
| 291 | M | 35 | Very low | 35 | Very low | 201 Ų | 201 | 144.5 Ų | 144.5 | 99% | 0.99 | 83% | 0.825 | S | S | * | * | trans | -92.5 | 116.3 | -176.8 | -65.4 | -177.9 | 117.2 | 0 | 0 | 111 | ||||
| 292 | S | 39.4 | Very low | 35.1 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | trans | -151.3 | 136.5 | 144.2 | -161.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 293 | G | 30.9 | Very low | 34.9 | Very low | 62 Ų | 62 | 135.1 Ų | 135.1 | 64% | 0.639 | 83% | 0.826 | S | S | * | * | cis | 104.7 | 112.5 | 20.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 294 | S | 35.9 | Very low | 34.9 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | trans | 66 | 109.9 | -177.3 | -81 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 295 | D | 33.4 | Very low | 34.7 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 69% | 0.69 | 84% | 0.835 | S | S | * | * | 52.3 | 98.6 | 112.5 | -48 | -54 | 0 | 0 | 0 | 119.4 | |||||
| 296 | R | 40 | Very low | 34.7 | Very low | 249 Ų | 249 | 133 Ų | 133 | 94% | 0.94 | 83% | 0.833 | S | S | * | * | 167.5 | 141.9 | 104.4 | -88.6 | 152.6 | -174.1 | -174.6 | 2.1 | 114.2 | |||||
| 297 | G | 34.5 | Very low | 34.2 | Very low | 82 Ų | 82 | 131.1 Ų | 131.1 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | trans | 82.4 | 81.6 | 136.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 298 | G | 34.8 | Very low | 34.2 | Very low | 79 Ų | 79 | 126 Ų | 126 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | trans | -88 | 128.2 | 159.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 299 | R | 35.1 | Very low | 34.1 | Very low | 258 Ų | 258 | 127.7 Ų | 127.7 | 97% | 0.974 | 82% | 0.821 | S | S | * | * | trans | -174.4 | 143.7 | 161.8 | -105.6 | 179.1 | 178.6 | -161.9 | -0.8 | 107.9 | ||||
| 300 | G | 31.4 | Very low | 34.2 | Very low | 77 Ų | 77 | 133.1 Ų | 133.1 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | cis | 157.3 | 150.8 | -5.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 301 | G | 34.7 | Very low | 34 | Very low | 78 Ų | 78 | 131.6 Ų | 131.6 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | 99.6 | 129.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 302 | S | 34.9 | Very low | 33.9 | Very low | 136 Ų | 136 | 129.5 Ų | 129.5 | 95% | 0.951 | 80% | 0.803 | S | S | * | * | cis | 78.9 | 110.3 | 27.6 | -161.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 303 | G | 28.8 | Very low | 33.5 | Very low | 67 Ų | 67 | 133.7 Ų | 133.7 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | trans | 165.2 | 79 | 172.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 304 | S | 33.3 | Very low | 33.5 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | 68.4 | 144.8 | 140.6 | -62.2 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 305 | R | 32.4 | Very low | 33.7 | Very low | 254 Ų | 254 | 141.7 Ų | 141.7 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | trans | 75.6 | 129.4 | 164.2 | -63.5 | 179.4 | 176.9 | -176.2 | -1.4 | 118.1 | ||||
| 306 | G | 33.7 | Very low | 33.6 | Very low | 79 Ų | 79 | 146.2 Ų | 146.2 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | trans | 158.9 | -17.7 | 169 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 307 | G | 29.2 | Very low | 33.3 | Very low | 73 Ų | 73 | 140.4 Ų | 140.4 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | trans | -84.2 | 121.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 308 | I | 36.7 | Very low | 33.4 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 74% | 0.744 | 82% | 0.816 | S | S | * | * | trans | -111.8 | 114.8 | 163.7 | -66.6 | 176.1 | 0 | 0 | 0 | 107.8 | Y310 | I308-Y310 HydrophobicContact CG2-CD2 4.17Å; I308-Y310 HydrophobicContact CG2-CE2 3.85Å | ||
| 309 | S | 30.5 | Very low | 33.4 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -154.9 | 103.3 | 169.2 | -172 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 310 | Y | 35.4 | Very low | 33.5 | Very low | 188 Ų | 188 | 140.9 Ų | 140.9 | 74% | 0.737 | 81% | 0.811 | S | S | * | * | trans | -151.7 | 150.8 | 176 | -20 | -81.1 | 0 | 0 | 0 | 108 | I308 | I308-Y310 HydrophobicContact CG2-CD2 4.17Å; I308-Y310 HydrophobicContact CG2-CE2 3.85Å | ||
| 311 | N | 34.9 | Very low | 33.6 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | cis | -164.1 | 167.7 | -34.4 | -147.2 | -38.9 | 0 | 0 | 0 | 106.7 | R313 | N311-R313 PolarHBondContact O-N 2.75Š| ||
| 312 | Q | 31.3 | Very low | 33.6 | Very low | 157 Ų | 157 | 141.8 Ų | 141.8 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | trans | -83.4 | 112.2 | 176 | -66.7 | 175.6 | -7.1 | 0 | 0 | 112.3 | ||||
| 313 | R | 31.4 | Very low | 33.6 | Very low | 205 Ų | 205 | 139.8 Ų | 139.8 | 77% | 0.774 | 81% | 0.812 | S | S | * | * | 178 | 149.5 | 124.2 | -104 | 164.4 | -91.4 | -139.3 | -8.7 | 116.3 | N311 | N311-R313 PolarHBondContact O-N 2.75Š| |||
| 314 | E | 30.7 | Very low | 34.2 | Very low | 162 Ų | 162 | 144 Ų | 144 | 76% | 0.757 | 81% | 0.813 | S | S | * | * | trans | 28.8 | 119.9 | 143 | -61.9 | 164.8 | 117.6 | 0 | 0 | 120.2 | ||||
| 315 | I | 39.5 | Very low | 34.2 | Very low | 172 Ų | 172 | 146 Ų | 146 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | -167.8 | 164.6 | 110.6 | -96 | 157.2 | 0 | 0 | 0 | 110.3 | |||||
| 316 | R | 31.9 | Very low | 34.4 | Very low | 224 Ų | 224 | 143.4 Ų | 143.4 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -81.9 | 159.7 | -158.1 | -57.2 | 171.3 | 178.8 | -174.7 | -2.4 | 115.7 | ||||
| 317 | S | 33 | Very low | 34.5 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | 69.2 | 129.2 | 147 | 54 | 0 | 0 | 0 | 0 | 121 | ||||
| 318 | G | 37.3 | Very low | 34.8 | Very low | 76 Ų | 76 | 152.8 Ų | 152.8 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | 129.7 | 62.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 319 | S | 35.5 | Very low | 34.5 | Very low | 105 Ų | 105 | 154.4 Ų | 154.4 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | 78.4 | 113.3 | 75.9 | -165.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 320 | R | 36 | Very low | 35 | Very low | 248 Ų | 248 | 154.5 Ų | 154.5 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | trans | 63.1 | 119.3 | 167.9 | -57.5 | 172.3 | 176.6 | -169.5 | -3 | 116.4 | ||||
| 321 | G | 35.4 | Very low | 35 | Very low | 84 Ų | 84 | 148.5 Ų | 148.5 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | cis | 147.4 | 154.3 | 21 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 322 | G | 34 | Very low | 34.9 | Very low | 89 Ų | 89 | 149.5 Ų | 149.5 | 92% | 0.918 | 80% | 0.798 | S | S | * | * | trans | 141.8 | 60.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 323 | A | 34.9 | Very low | 35.2 | Very low | 95 Ų | 95 | 150.3 Ų | 150.3 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -110.5 | 138.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 324 | Q | 41.5 | Very low | 35.4 | Very low | 156 Ų | 156 | 144.2 Ų | 144.2 | 73% | 0.729 | 80% | 0.803 | S | S | * | * | trans | -142.1 | 82.2 | 152.3 | -76.7 | -151.6 | 19.7 | 0 | 0 | 110.1 | ||||
| 325 | Q | 32.6 | Very low | 35.5 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | -82.5 | 140.1 | 147 | -176.3 | 172.8 | -7 | 0 | 0 | 106.5 | ||||
| 326 | R | 36.1 | Very low | 35.3 | Very low | 200 Ų | 200 | 143.7 Ų | 143.7 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -141.6 | 101.6 | 174.5 | -107.3 | -165.8 | -79.7 | 173.3 | -3.1 | 110.9 | ||||
| 327 | D | 36.3 | Very low | 35.7 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 68% | 0.679 | 80% | 0.8 | S | S | * | * | trans | -74.4 | 165.2 | 170.8 | -44.4 | -82.9 | 0 | 0 | 0 | 110.5 | ||||
| 328 | Y | 35.2 | Very low | 35.6 | Very low | 223 Ų | 223 | 139 Ų | 139 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | trans | -94 | 133.2 | 179.5 | -53.5 | -98.6 | 0 | 0 | 0 | 110 | ||||
| 329 | E | 32.2 | Very low | 35.4 | Very low | 179 Ų | 179 | 146.4 Ų | 146.4 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -174.6 | 150.9 | 143.8 | -158.5 | 56.5 | -168 | 0 | 0 | 111.7 | ||||
| 330 | S | 40.2 | Very low | 35.4 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 54.3 | 123.9 | 154 | -173.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 331 | G | 35.4 | Very low | 35.4 | Very low | 62 Ų | 62 | 142.6 Ų | 142.6 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | trans | 111.8 | 105.6 | 150.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 332 | H | 33.3 | Very low | 35.4 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | 74.9 | 146 | 76.3 | -93.3 | 57.7 | 0 | 0 | 0 | 116.7 | |||||
| 333 | H | 36.4 | Very low | 35.6 | Very low | 175 Ų | 175 | 145 Ų | 145 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | 50.2 | 113.8 | 166.9 | 49.9 | -115.5 | 0 | 0 | 0 | 120.7 | ||||
| 334 | G | 36 | Very low | 35.6 | Very low | 76 Ų | 76 | 145.6 Ų | 145.6 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | 106.6 | 112.7 | 108.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 335 | S | 34.1 | Very low | 35.3 | Very low | 102 Ų | 102 | 148 Ų | 148 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | -52.3 | 143.8 | 161.6 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 336 | Y | 35 | Very low | 35.8 | Very low | 222 Ų | 222 | 150.2 Ų | 150.2 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | -162.1 | 167.7 | 123.7 | -103.1 | -63 | 0 | 0 | 0 | 112.1 | |||||
| 337 | Q | 38.9 | Very low | 35.9 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -95.2 | 128.1 | -167.3 | -60.5 | 157.2 | -73.9 | 0 | 0 | 113.6 | ||||
| 338 | G | 31 | Very low | 36.4 | Very low | 70 Ų | 70 | 146.7 Ų | 146.7 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | 87.5 | 165.8 | 119.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 339 | R | 34.4 | Very low | 36.5 | Very low | 233 Ų | 233 | 142.7 Ų | 142.7 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | 72.9 | 122 | -177.2 | -56.5 | -177.2 | -177.1 | -97.3 | -0 | 114.7 | ||||
| 340 | L | 35.7 | Very low | 37 | Very low | 171 Ų | 171 | 138.8 Ų | 138.8 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | cis | 92.3 | 106.3 | 34.5 | -68.9 | 169.2 | 0 | 0 | 0 | 114.8 | ||||
| 341 | A | 34.2 | Very low | 37.2 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -152.8 | 154.5 | 153.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 342 | S | 36.1 | Very low | 37.7 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | cis | -152.6 | 131.6 | 2.7 | -169.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 343 | A | 39.1 | Very low | 38.3 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -161 | 140.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 344 | S | 35 | Very low | 38.6 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -139.9 | 138 | -165.8 | 176.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 345 | R | 34.6 | Very low | 38.9 | Very low | 205 Ų | 205 | 140.4 Ų | 140.4 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | trans | -161.3 | 145.6 | 143.6 | -132.6 | 172 | -80 | -157.2 | -0.4 | 113.6 | ||||
| 346 | Y | 42.5 | Very low | 39.1 | Very low | 205 Ų | 205 | 142.9 Ų | 142.9 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 83 | 146.9 | 171.3 | -56.9 | -70.1 | 0 | 0 | 0 | 119.5 | ||||
| 347 | H | 37.9 | Very low | 39.1 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 68% | 0.676 | 77% | 0.772 | S | S | * | * | trans | -137.6 | -179.2 | -163.2 | -136.6 | 49.9 | 0 | 0 | 0 | 106.3 | Q349 | H347-Q349 PolarHBondContact NE2-NE2 3.37Š| ||
| 348 | P | 46.5 | Very low | 39.2 | Very low | 107 Ų | 107 | 133 Ų | 133 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | cis | -140 | 163.7 | 11.2 | 43.6 | -25.6 | 0 | 0 | 0 | 117.9 | ||||
| 349 | Q | 38.2 | Very low | 39.5 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 65% | 0.654 | 77% | 0.774 | S | S | * | * | 34 | 164.1 | 125.9 | -53.6 | -66.5 | -18 | 0 | 0 | 122.7 | H347 | H347-Q349 PolarHBondContact NE2-NE2 3.37Š| |||
| 350 | P | 43.7 | Very low | 39.8 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 62% | 0.623 | 77% | 0.765 | S | S | * | * | cis | -134.5 | -174.9 | -0.8 | 30.3 | -6.9 | 0 | 0 | 0 | 116.4 | ||||
| 351 | M | 43.9 | Very low | 39.8 | Very low | 181 Ų | 181 | 131.2 Ų | 131.2 | 89% | 0.892 | 76% | 0.763 | S | S | * | * | trans | 71.1 | 135.6 | 166.8 | -44.2 | -56 | -163.4 | 0 | 0 | 117.5 | ||||
| 352 | G | 46.1 | Very low | 39.9 | Very low | 70 Ų | 70 | 132.3 Ų | 132.3 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | cis | 114.4 | 149.3 | -6.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 353 | P | 45.1 | Very low | 39.8 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -138.1 | -178.7 | -10.2 | 43.9 | -27.3 | 0 | 0 | 0 | 115.7 | ||||
| 354 | M | 43.5 | Very low | 39.4 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | trans | 68.6 | 149.7 | 151.5 | -75.7 | 163.2 | 169.7 | 0 | 0 | 120 | ||||
| 355 | S | 42.6 | Very low | 39.4 | Very low | 95 Ų | 95 | 137.3 Ų | 137.3 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | cis | -165.5 | 145.6 | -10.1 | 48.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 356 | N | 36.4 | Very low | 39.3 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | 47 | 150 | 140 | -70.1 | 14 | 0 | 0 | 0 | 122.8 | ||||
| 357 | S | 36.2 | Very low | 38.9 | Very low | 90 Ų | 90 | 135.3 Ų | 135.3 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | cis | -176.1 | 158 | -16.2 | 51 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 358 | S | 39.8 | Very low | 38.6 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | 70.1 | 115.3 | 161.3 | -50.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 359 | Q | 37.7 | Very low | 38.1 | Very low | 190 Ų | 190 | 137 Ų | 137 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | 98 | 145.1 | 51.5 | -83.4 | -152.2 | -33.5 | 0 | 0 | 113.7 | |||||
| 360 | P | 40.4 | Very low | 38.2 | Very low | 105 Ų | 105 | 139.3 Ų | 139.3 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | -136 | 167.4 | -125.3 | 42.9 | -28.1 | 0 | 0 | 0 | 117.1 | |||||
| 361 | T | 35.4 | Very low | 37.8 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | trans | -151.2 | 110.2 | 155.5 | 26.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 362 | P | 37.2 | Very low | 37.4 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -93.7 | 117.5 | 169.7 | 32.5 | -27.7 | 0 | 0 | 0 | 111.1 | ||||
| 363 | Q | 34.5 | Very low | 37.1 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -75.2 | 166.3 | 159.8 | -67.8 | 178.1 | -82.8 | 0 | 0 | 110.7 | S365 | Q363-S365 PolarHBondContact O-N 3.37Š| ||
| 364 | V | 29.8 | Very low | 37.1 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | -33.7 | 123.5 | 164.7 | -179.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 365 | S | 35.5 | Very low | 37.1 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -172.2 | 110.1 | 142.7 | -84 | 0 | 0 | 0 | 0 | 114.4 | Q363 | Q363-S365 PolarHBondContact O-N 3.37Š| ||
| 366 | S | 32.5 | Very low | 37.1 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -4.5 | 131.6 | 140.3 | 42 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 367 | R | 34.7 | Very low | 37.3 | Very low | 259 Ų | 259 | 140.2 Ų | 140.2 | 98% | 0.977 | 75% | 0.753 | S | S | * | * | trans | -154.8 | 132.7 | 145.2 | -91.5 | -178.7 | 177.8 | -179.2 | -1.1 | 108.1 | ||||
| 368 | G | 31.8 | Very low | 37.7 | Very low | 65 Ų | 65 | 143.5 Ų | 143.5 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | cis | 155.3 | 106.8 | -9.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 369 | Y | 35.5 | Very low | 37.8 | Very low | 223 Ų | 223 | 147.3 Ų | 147.3 | 88% | 0.875 | 76% | 0.76 | S | S | * | * | trans | -132.1 | 91.6 | 172.7 | -92.1 | -77.3 | 0 | 0 | 0 | 112 | ||||
| 370 | K | 39.9 | Very low | 38.2 | Very low | 189 Ų | 189 | 142.5 Ų | 142.5 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | 40.1 | 119.8 | 146.2 | -56.4 | -175.8 | -178.9 | -179.8 | 0 | 119.5 | ||||
| 371 | D | 35 | Very low | 38.3 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | trans | -56.9 | 151.9 | 168.2 | -56.1 | -98.8 | 0 | 0 | 0 | 115 | T373 | D371-T373 PolarHBondContact OD1-OG1 2.72Š| ||
| 372 | N | 35.8 | Very low | 38.6 | Very low | 141 Ų | 141 | 145.9 Ų | 145.9 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | trans | -138.8 | 42.6 | 150.7 | -106.3 | -10.9 | 0 | 0 | 0 | 109.8 | T374 | N372-T374 VanDerWaalsContact C-N 3.29Å; N372-T374 PolarHBondContact O-N 3.43Å | ||
| 373 | T | 40.9 | Very low | 38.6 | Very low | 80 Ų | 80 | 150.9 Ų | 150.9 | 49% | 0.491 | 75% | 0.748 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.5 | 9.3 | -171 | 50.5 | 0 | 0 | 0 | 0 | 114.6 | D371 | D371-T373 PolarHBondContact OD1-OG1 2.72Š|
| 374 | T | 43.9 | Very low | 38.6 | Very low | 101 Ų | 101 | 152.8 Ų | 152.8 | 62% | 0.62 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -31.1 | -176.6 | 41.9 | 0 | 0 | 0 | 0 | 115 | N372 | N372-T374 VanDerWaalsContact C-N 3.29Å; N372-T374 PolarHBondContact O-N 3.43Å |
| 375 | E | 42.9 | Very low | 39.1 | Very low | 130 Ų | 130 | 154.3 Ų | 154.3 | 61% | 0.607 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -76.5 | -44.8 | -176.8 | -67.3 | -54.7 | 117.8 | 0 | 0 | 112.7 | R377 K378 | E375-R377 PolarHBondContact O-N 2.86Å; E375-K378 PolarHBondContact O-N 3.41Å |
| 376 | L | 42.8 | Very low | 39.2 | Very low | 149 Ų | 149 | 154.3 Ų | 154.3 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -61.4 | -16.7 | -177.9 | -81.3 | 162 | 0 | 0 | 0 | 114.3 | ||
| 377 | R | 41.7 | Very low | 39.6 | Very low | 177 Ų | 177 | 156.1 Ų | 156.1 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -87.8 | -6.5 | 177.9 | -149 | -179.1 | -59.5 | -179.2 | 4.2 | 114 | E375 | E375-R377 PolarHBondContact O-N 2.86Å |
| 378 | K | 43.6 | Very low | 39.8 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -83.3 | -43.8 | 173.9 | -101.4 | -175.4 | 171.1 | -176.6 | 0 | 112.7 | E375 S380 | E375-K378 PolarHBondContact O-N 3.41Å; K378-S380 VanDerWaalsContact C-N 3.27Å; K378-S380 PolarHBondContact O-N 3.18Å |
| 379 | F | 43.1 | Very low | 40.1 | Very low | 185 Ų | 185 | 156.7 Ų | 156.7 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -68.5 | -23.2 | -179.3 | -98.6 | -88.1 | 0 | 0 | 0 | 113.8 | Q381 | F379-Q381 VanDerWaalsContact C-N 3.28Å; F379-Q381 PolarHBondContact O-N 2.95Å |
| 380 | S | 45.3 | Very low | 40.2 | Very low | 89 Ų | 89 | 152 Ų | 152 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 14.5 | -175.2 | 82.4 | 0 | 0 | 0 | 0 | 115.3 | K378 | K378-S380 VanDerWaalsContact C-N 3.27Å; K378-S380 PolarHBondContact O-N 3.18Å |
| 381 | Q | 42.6 | Very low | 40.3 | Very low | 148 Ų | 148 | 149 Ų | 149 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.1 | -15.3 | -178 | -66.1 | -162.9 | -6.8 | 0 | 0 | 115.2 | F379 | F379-Q381 VanDerWaalsContact C-N 3.28Å; F379-Q381 PolarHBondContact O-N 2.95Å |
| 382 | E | 42.7 | Very low | 40.2 | Very low | 168 Ų | 168 | 148 Ų | 148 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -86.2 | -18 | -169.4 | -153.3 | 148.5 | -139.7 | 0 | 0 | 113.9 | R384 | E382-R384 PolarHBondContact O-N 3.43Š|
| 383 | Y | 36.2 | Very low | 40.3 | Very low | 231 Ų | 231 | 147.6 Ų | 147.6 | 91% | 0.906 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 53 | 177.3 | -91.2 | -88.9 | 0 | 0 | 0 | 113.9 | ||
| 384 | R | 35.1 | Very low | 40.1 | Very low | 229 Ų | 229 | 152.2 Ų | 152.2 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.7 | 18.8 | 174.1 | -86.2 | -159.6 | 177.1 | 177.9 | 0.6 | 117 | E382 | E382-R384 PolarHBondContact O-N 3.43Š|
| 385 | L | 39.4 | Very low | 39.7 | Very low | 170 Ų | 170 | 151.3 Ų | 151.3 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -142.7 | 92.5 | 170 | -77.1 | 99.2 | 0 | 0 | 0 | 113.4 | ||||
| 386 | A | 38.8 | Very low | 39.6 | Very low | 108 Ų | 108 | 150.3 Ų | 150.3 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -169.1 | 102.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 387 | D | 40.1 | Very low | 39.1 | Very low | 148 Ų | 148 | 149.2 Ų | 149.2 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -100.7 | 148.4 | -175.7 | -127.5 | -34.5 | 0 | 0 | 0 | 112.4 | ||||
| 388 | N | 38.5 | Very low | 38.8 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | trans | 41.6 | 117 | 155.8 | -70.6 | -65.3 | 0 | 0 | 0 | 121.4 | ||||
| 389 | K | 38 | Very low | 38.5 | Very low | 202 Ų | 202 | 143.6 Ų | 143.6 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | -175.2 | 146.7 | 108.2 | -103.6 | 168.4 | -178 | -64.9 | 0 | 115.3 | |||||
| 390 | V | 38.8 | Very low | 38.3 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -118.7 | 150.2 | 171.1 | 177.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 391 | P | 41.4 | Very low | 37.8 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -132.3 | 159 | 147.2 | 36.3 | -23.7 | 0 | 0 | 0 | 114.1 | ||||
| 392 | T | 32.4 | Very low | 37.9 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | -133.1 | 139.3 | -168 | -33.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 393 | T | 38.3 | Very low | 37.9 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -160.8 | 140 | 164.1 | 26.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 394 | H | 35.9 | Very low | 38.2 | Very low | 177 Ų | 177 | 132.4 Ų | 132.4 | 82% | 0.819 | 79% | 0.794 | S | S | * | * | cis | 117.6 | 116.8 | 12.4 | -79.6 | -48.1 | 0 | 0 | 0 | 110.8 | ||||
| 395 | G | 36.6 | Very low | 38.3 | Very low | 81 Ų | 81 | 133.3 Ų | 133.3 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | 174.7 | 105.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 396 | S | 39.6 | Very low | 38.3 | Very low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -25.7 | 139.9 | 163.2 | -50.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 397 | T | 32.4 | Very low | 38.7 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | cis | 82.1 | 138.2 | 47.8 | 67.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 398 | S | 37 | Very low | 38.8 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 74.8 | 154.6 | 169.9 | 78.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 399 | S | 35.8 | Very low | 38.8 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | cis | -171.7 | 175.5 | -26.8 | 60.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 400 | S | 38.6 | Very low | 39 | Very low | 119 Ų | 119 | 129 Ų | 129 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 83.9 | 166 | 158.6 | 81.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 401 | S | 35.5 | Very low | 39 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -168.7 | -160.8 | -164.8 | 64.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 402 | P | 45.3 | Very low | 39 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | cis | -133.8 | -165 | -25.3 | 28.6 | -4.5 | 0 | 0 | 0 | 113.8 | ||||
| 403 | T | 43.1 | Very low | 39.2 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | 113 | 141.8 | 146.8 | 70.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 404 | P | 41.9 | Very low | 39.4 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -127.1 | -178 | -175.5 | 45 | -31.6 | 0 | 0 | 0 | 116.2 | ||||
| 405 | R | 37.4 | Very low | 39.4 | Very low | 249 Ų | 249 | 132.3 Ų | 132.3 | 94% | 0.94 | 80% | 0.804 | S | S | * | * | trans | -147.2 | 142.8 | 164.9 | -89.8 | -170.1 | 170 | -142 | -0.8 | 112.9 | ||||
| 406 | P | 40.1 | Very low | 40.3 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -112.7 | 167.4 | 175 | 40.2 | -32.9 | 0 | 0 | 0 | 114.9 | ||||
| 407 | S | 46.6 | Very low | 40.9 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -161.3 | 117.9 | 162.5 | -78.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 408 | V | 41.4 | Very low | 41.3 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | 86.5 | 95.4 | 87.9 | 172.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 409 | M | 39.4 | Very low | 41.6 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | 52.8 | 126.3 | 123.1 | -159.9 | 173.6 | -175 | 0 | 0 | 121.3 | |||||
| 410 | T | 42 | Very low | 41.8 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | 168.9 | 150.5 | 120.9 | -71.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 411 | Q | 37.8 | Very low | 41.9 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -92 | 158.7 | 176.1 | -56.4 | 178.7 | 3.2 | 0 | 0 | 112.2 | ||||
| 412 | L | 41.1 | Very low | 42.2 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 83% | 0.827 | 83% | 0.83 | S | S | * | * | 171.3 | 130.4 | 125.4 | -92.3 | 161.5 | 0 | 0 | 0 | 115.2 | |||||
| 413 | R | 38 | Very low | 42 | Very low | 227 Ų | 227 | 145 Ų | 145 | 86% | 0.857 | 84% | 0.836 | S | S | * | * | trans | 59.6 | 96.6 | 130.4 | -159.9 | 174.3 | -167.7 | 169.3 | 4 | 122.4 | ||||
| 414 | A | 41.2 | Very low | 42 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | 61.8 | 132.6 | 129.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 415 | G | 37.5 | Very low | 42 | Very low | 76 Ų | 76 | 141.7 Ų | 141.7 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | trans | 135.1 | 112.7 | 147.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 416 | P | 54.7 | Low | 42.3 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 80% | 0.799 | 83% | 0.825 | S | S | * | * | trans | -106.3 | 151.7 | 158.3 | 37.8 | -29.8 | 0 | 0 | 0 | 111.1 | ||||
| 417 | P | 52.8 | Low | 42.3 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | -153.2 | 172 | 79.6 | 41.1 | -21.6 | 0 | 0 | 0 | 118.4 | |||||
| 418 | R | 40.4 | Very low | 42 | Very low | 239 Ų | 239 | 135.5 Ų | 135.5 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | -20.8 | 140.3 | 163.7 | -56.8 | 169.6 | 172 | -174.1 | -4.9 | 118.6 | ||||
| 419 | S | 42.3 | Very low | 41.8 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | -176 | 178.5 | 119.1 | 48.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 420 | A | 40.4 | Very low | 41.9 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 90% | 0.901 | 83% | 0.826 | S | S | * | * | trans | -108.9 | 159.3 | -151.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 421 | G | 40.9 | Very low | 41.9 | Very low | 69 Ų | 69 | 131.1 Ų | 131.1 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | trans | -168.5 | 140.9 | 153.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 422 | R | 41.3 | Very low | 42 | Very low | 257 Ų | 257 | 126.3 Ų | 126.3 | 97% | 0.97 | 82% | 0.82 | S | S | * | * | cis | 115.5 | 120.9 | 18.9 | -98.6 | -160.6 | 170.6 | -135.9 | 0.3 | 111.1 | ||||
| 423 | G | 42 | Very low | 42 | Very low | 77 Ų | 77 | 125.3 Ų | 125.3 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | 110.5 | 156.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 424 | S | 42.2 | Very low | 42.2 | Very low | 127 Ų | 127 | 122 Ų | 122 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | cis | -171 | 161.2 | -23.6 | -141.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 425 | G | 43 | Very low | 42.1 | Very low | 60 Ų | 60 | 125.5 Ų | 125.5 | 62% | 0.619 | 81% | 0.806 | S | S | * | * | trans | 104.3 | 126.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 426 | D | 43.3 | Very low | 42.4 | Very low | 158 Ų | 158 | 128.2 Ų | 128.2 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | cis | 77.2 | 139.6 | 30.6 | -51.2 | -55.5 | 0 | 0 | 0 | 114.6 | ||||
| 427 | A | 40.6 | Very low | 41.9 | Very low | 89 Ų | 89 | 129.6 Ų | 129.6 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | cis | -171.8 | 173 | -18.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 428 | A | 39 | Very low | 41.5 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | 71.6 | 175.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 429 | A | 38.8 | Very low | 41.7 | Very low | 93 Ų | 93 | 123.8 Ų | 123.8 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -151.7 | 160 | -164.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 430 | N | 41.4 | Very low | 41.7 | Very low | 160 Ų | 160 | 120.8 Ų | 120.8 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | trans | -165.4 | 148.1 | 159.2 | -93.6 | -36.3 | 0 | 0 | 0 | 107.1 | ||||
| 431 | A | 40.4 | Very low | 41.8 | Very low | 91 Ų | 91 | 123.9 Ų | 123.9 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | cis | 85.8 | 131.4 | 27.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 432 | G | 39.7 | Very low | 41.9 | Very low | 71 Ų | 71 | 125.6 Ų | 125.6 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | trans | 99.3 | 121.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 433 | T | 41.5 | Very low | 41.9 | Very low | 136 Ų | 136 | 119.8 Ų | 119.8 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | cis | 115 | 137.4 | 10.5 | -64.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 434 | Q | 42.1 | Very low | 41.7 | Very low | 157 Ų | 157 | 120.8 Ų | 120.8 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | 96.6 | 119.8 | 164.7 | -87.3 | -170.9 | 40.4 | 0 | 0 | 122.6 | ||||
| 435 | R | 40.2 | Very low | 41.7 | Very low | 179 Ų | 179 | 120.4 Ų | 120.4 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | 87.8 | 113.8 | 129.8 | -79.7 | -176.3 | 170.4 | -135.1 | -0.2 | 122.9 | |||||
| 436 | Q | 43.7 | Very low | 42.1 | Very low | 133 Ų | 133 | 122.9 Ų | 122.9 | 62% | 0.621 | 75% | 0.745 | S | S | * | * | 76.1 | 148 | 129.2 | -67.8 | 175.2 | -3.3 | 0 | 0 | 117.6 | |||||
| 437 | Q | 43.4 | Very low | 42 | Very low | 151 Ų | 151 | 125 Ų | 125 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | cis | -158.6 | 149.2 | 7.9 | -133.1 | 169.9 | 96.3 | 0 | 0 | 111.4 | ||||
| 438 | S | 45.2 | Very low | 41.8 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | 56.5 | 147.1 | 153.7 | 50.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 439 | T | 44.9 | Very low | 41.9 | Very low | 144 Ų | 144 | 125.2 Ų | 125.2 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | cis | -166.3 | 153.8 | -2.5 | 16.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 440 | G | 41 | Very low | 41.8 | Very low | 67 Ų | 67 | 133.1 Ų | 133.1 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | 119.8 | 99.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 441 | K | 43.8 | Very low | 41.6 | Very low | 174 Ų | 174 | 129 Ų | 129 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | 80 | 127.9 | 56.4 | -68.1 | -163.6 | 132.9 | -69.7 | 0 | 112.9 | |||||
| 442 | D | 42.2 | Very low | 41.6 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 56% | 0.561 | 76% | 0.763 | S | S | * | * | cis | -152.3 | 154 | 2.3 | -87.8 | -32.1 | 0 | 0 | 0 | 112.4 | ||||
| 443 | D | 41.8 | Very low | 41.4 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | 40.4 | 156.4 | 140.2 | -69.6 | -51.8 | 0 | 0 | 0 | 124.1 | ||||
| 444 | S | 38 | Very low | 41.3 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | cis | -171.8 | 167.2 | -22.6 | -105.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 445 | P | 40.8 | Very low | 41.1 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -101.6 | -154.9 | -172.7 | 45.6 | -39.5 | 0 | 0 | 0 | 113.2 | ||||
| 446 | P | 51.5 | Low | 41.1 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | -114.7 | 153.8 | -118.1 | 33.9 | -14.8 | 0 | 0 | 0 | 116.2 | |||||
| 447 | H | 42.3 | Very low | 40.9 | Very low | 201 Ų | 201 | 139.1 Ų | 139.1 | 93% | 0.931 | 79% | 0.79 | S | S | * | * | trans | -147.8 | 160.4 | 172.2 | -110.9 | 27.5 | 0 | 0 | 0 | 115.6 | ||||
| 448 | S | 36.4 | Very low | 40.5 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 88% | 0.881 | 80% | 0.795 | S | S | * | * | trans | -84.8 | 138.1 | -175.9 | -176.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 449 | G | 40.4 | Very low | 40.1 | Very low | 77 Ų | 77 | 148.8 Ų | 148.8 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -144.5 | 111.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 450 | R | 36.6 | Very low | 39.7 | Very low | 259 Ų | 259 | 151.8 Ų | 151.8 | 98% | 0.977 | 80% | 0.801 | S | S | * | * | trans | -96.7 | 110.3 | -175 | 175.6 | -176.5 | 179.9 | 178 | 0.6 | 110.9 | ||||
| 451 | G | 37.5 | Very low | 39.6 | Very low | 72 Ų | 72 | 153.7 Ų | 153.7 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | trans | -147.3 | 105.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 452 | Q | 40.3 | Very low | 39.1 | Very low | 189 Ų | 189 | 152.4 Ų | 152.4 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | 6.4 | 110.6 | 157.7 | -53.7 | -171.7 | 22.8 | 0 | 0 | 118.4 | ||||
| 453 | V | 35.7 | Very low | 38.9 | Very low | 132 Ų | 132 | 155.6 Ų | 155.6 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | 68.8 | 111 | 87.3 | 174.2 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 454 | K | 40.1 | Very low | 38.6 | Very low | 212 Ų | 212 | 156.4 Ų | 156.4 | 92% | 0.922 | 82% | 0.819 | S | S | * | * | trans | -148.3 | 119.4 | 138.1 | -114.9 | 174.3 | -176.7 | 176.6 | 0 | 109.1 | ||||
| 455 | Q | 36.9 | Very low | 38.3 | Very low | 179 Ų | 179 | 158 Ų | 158 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | trans | -109.5 | 149 | 172.8 | -71.2 | -176.9 | -5.7 | 0 | 0 | 109.8 | ||||
| 456 | A | 40.5 | Very low | 38.2 | Very low | 100 Ų | 100 | 158 Ų | 158 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | trans | -147.6 | 83 | 157.2 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 457 | E | 40.1 | Very low | 37.2 | Very low | 169 Ų | 169 | 161.3 Ų | 161.3 | 79% | 0.79 | 83% | 0.83 | S | S | * | * | 64.1 | 91.4 | 69.1 | -164.2 | -177.9 | -142.2 | 0 | 0 | 112.7 | |||||
| 458 | Y | 34.8 | Very low | 36.8 | Very low | 206 Ų | 206 | 156.6 Ų | 156.6 | 81% | 0.808 | 82% | 0.82 | S | S | * | * | trans | -148.9 | 102 | 137.7 | -129.7 | -86.1 | 0 | 0 | 0 | 110 | ||||
| 459 | R | 36.2 | Very low | 36.6 | Very low | 248 Ų | 248 | 160.2 Ų | 160.2 | 94% | 0.936 | 82% | 0.823 | S | S | * | * | trans | -134.1 | 100.1 | 176.9 | -146.8 | -176.1 | -166.4 | -161.3 | 5.3 | 109.6 | ||||
| 460 | R | 37.6 | Very low | 36.3 | Very low | 207 Ų | 207 | 159.6 Ų | 159.6 | 78% | 0.781 | 82% | 0.817 | S | S | * | * | trans | -151.3 | 143.6 | 175.1 | -75.3 | -168.1 | -176.5 | -172.8 | 3.6 | 109.5 | ||||
| 461 | T | 37.1 | Very low | 36.2 | Very low | 106 Ų | 106 | 155.3 Ų | 155.3 | 65% | 0.65 | 81% | 0.812 | S | S | * | * | cis | -155.1 | 131 | -24.4 | -65.6 | 0 | 0 | 0 | 0 | 105.8 | K463 | T461-K463 HydrophobicContact CG2-CB 4.42Å; T461-K463 HydrophobicContact CG2-CD 4.4Å | ||
| 462 | V | 33.6 | Very low | 36.2 | Very low | 147 Ų | 147 | 158.2 Ų | 158.2 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | -82.2 | 118.3 | 171.2 | -161.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 463 | K | 39.5 | Very low | 36 | Very low | 172 Ų | 172 | 154.2 Ų | 154.2 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -162.2 | 106.1 | 173.1 | -116.2 | 169 | -173.8 | -178.5 | 0 | 115.3 | T461 | T461-K463 HydrophobicContact CG2-CB 4.42Å; T461-K463 HydrophobicContact CG2-CD 4.4Å | ||
| 464 | N | 35.1 | Very low | 36.2 | Very low | 154 Ų | 154 | 158.5 Ų | 158.5 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | 62.7 | 144.9 | 135.2 | -59.1 | 14.6 | 0 | 0 | 0 | 123 | ||||
| 465 | V | 31.8 | Very low | 36 | Very low | 130 Ų | 130 | 152.8 Ų | 152.8 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | trans | -96.1 | 143.9 | -179.3 | 170.6 | 0 | 0 | 0 | 0 | 111 | Q467 | V465-Q467 HydrophobicContact CG1-CB 4.29Š| ||
| 466 | P | 38.2 | Very low | 36.2 | Very low | 118 Ų | 118 | 152.8 Ų | 152.8 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | -133.9 | 154.6 | 112 | 37.2 | -27.2 | 0 | 0 | 0 | 111.4 | |||||
| 467 | Q | 30.6 | Very low | 36.2 | Very low | 184 Ų | 184 | 151.5 Ų | 151.5 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | cis | 83.4 | 80.2 | 24.1 | -159 | -173.6 | 15.7 | 0 | 0 | 117 | V465 | V465-Q467 HydrophobicContact CG1-CB 4.29Š| ||
| 468 | S | 35.1 | Very low | 36.2 | Very low | 102 Ų | 102 | 150.5 Ų | 150.5 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | -170.5 | 115.5 | 154.6 | 56.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 469 | Q | 31.7 | Very low | 36.6 | Very low | 201 Ų | 201 | 145.7 Ų | 145.7 | 94% | 0.939 | 78% | 0.779 | S | S | * | * | 89.4 | 145.1 | 89.3 | -75.7 | 179.6 | 1.3 | 0 | 0 | 116 | |||||
| 470 | G | 33.1 | Very low | 36.8 | Very low | 65 Ų | 65 | 138.2 Ų | 138.2 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | trans | 109.6 | 105.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 471 | L | 35.3 | Very low | 37 | Very low | 169 Ų | 169 | 138 Ų | 138 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | 63.2 | 129.9 | 60.7 | -54.1 | 176.2 | 0 | 0 | 0 | 111.7 | |||||
| 472 | D | 37.6 | Very low | 37.1 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | cis | -164.1 | 169.1 | 8.2 | -145.5 | 17.5 | 0 | 0 | 0 | 108.1 | ||||
| 473 | N | 36.2 | Very low | 37.4 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 57% | 0.567 | 77% | 0.774 | S | S | * | * | cis | -165.8 | 179.7 | -1 | -153.2 | -43.2 | 0 | 0 | 0 | 109.3 | ||||
| 474 | R | 38.6 | Very low | 37.4 | Very low | 221 Ų | 221 | 135 Ų | 135 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | 71.9 | 148.3 | 152.7 | -69.4 | 165.4 | -162.2 | -163.5 | 3.3 | 120.1 | ||||
| 475 | S | 36.3 | Very low | 37.4 | Very low | 92 Ų | 92 | 132.5 Ų | 132.5 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | cis | -170 | 155.5 | -18.6 | -165.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 476 | M | 42.5 | Very low | 37.7 | Very low | 179 Ų | 179 | 135.8 Ų | 135.8 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | trans | 65.6 | 146.7 | 174 | -34.6 | -57 | -81.5 | 0 | 0 | 115.1 | ||||
| 477 | G | 39.4 | Very low | 37.7 | Very low | 73 Ų | 73 | 134.3 Ų | 134.3 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | cis | 156.6 | 160.5 | -1.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 478 | D | 40.6 | Very low | 38 | Very low | 148 Ų | 148 | 133 Ų | 133 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | cis | -166.5 | 169.6 | -8.5 | -155.7 | -25.9 | 0 | 0 | 0 | 108.9 | ||||
| 479 | S | 42.2 | Very low | 38.3 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | 62.6 | 122.2 | 173.5 | -61.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 480 | A | 40.1 | Very low | 38.5 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | cis | 104 | 131.9 | 10.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 481 | K | 43.6 | Very low | 38.7 | Very low | 203 Ų | 203 | 132 Ų | 132 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | 120 | 147.9 | 166 | -69.5 | 159.3 | -173.9 | 172.7 | 0 | 114.3 | ||||
| 482 | N | 37.8 | Very low | 38.8 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | cis | -177.9 | 147.8 | -40.7 | -124.5 | 18.2 | 0 | 0 | 0 | 109.2 | ||||
| 483 | V | 41.1 | Very low | 38.9 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | trans | 52.2 | 136.4 | 136 | 170 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 484 | S | 39.5 | Very low | 39.3 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | cis | -164.9 | 156.6 | -2.5 | -102.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 485 | S | 35.3 | Very low | 39.3 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | cis | 84.2 | 78.8 | 39.1 | 87.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 486 | E | 37.8 | Very low | 40 | Very low | 199 Ų | 199 | 123.8 Ų | 123.8 | 93% | 0.93 | 78% | 0.779 | S | S | * | * | trans | -170.6 | 165.6 | 159.6 | -95.2 | -168.7 | 121.6 | 0 | 0 | 107.8 | ||||
| 487 | A | 37 | Very low | 40 | Very low | 87 Ų | 87 | 122.9 Ų | 122.9 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | cis | -169.9 | 168.1 | -31.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 488 | L | 38.1 | Very low | 39.9 | Very low | 157 Ų | 157 | 127 Ų | 127 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -92.9 | 154.8 | -176.5 | -60.7 | 172 | 0 | 0 | 0 | 113.5 | ||||
| 489 | P | 41.6 | Very low | 40 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | -140.8 | 153.2 | 98.1 | 31.4 | -14 | 0 | 0 | 0 | 113.3 | |||||
| 490 | I | 35.5 | Very low | 40 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | 79.7 | 121.9 | 50.4 | -61.3 | 171.7 | 0 | 0 | 0 | 114.3 | |||||
| 491 | G | 37.4 | Very low | 39.9 | Very low | 72 Ų | 72 | 129 Ų | 129 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | 137.8 | 115.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 492 | S | 36 | Very low | 39.6 | Very low | 119 Ų | 119 | 125 Ų | 125 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | cis | 114.5 | 88.3 | 3.6 | -56.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 493 | A | 40.8 | Very low | 39.6 | Very low | 88 Ų | 88 | 126.9 Ų | 126.9 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -164.3 | 116 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 494 | S | 43.1 | Very low | 39.5 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | 63.3 | 128.8 | 79.1 | 72 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 495 | S | 39.5 | Very low | 39.3 | Very low | 117 Ų | 117 | 136 Ų | 136 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | cis | -152 | 176.2 | 19.7 | -96 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 496 | P | 51.2 | Low | 39.4 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | trans | -122.1 | -147.4 | -160.7 | 45.2 | -31.9 | 0 | 0 | 0 | 115.2 | ||||
| 497 | E | 41.5 | Very low | 39.4 | Very low | 160 Ų | 160 | 133 Ų | 133 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | 91.8 | 143.4 | 175.5 | -53 | -156.8 | 92.9 | 0 | 0 | 116.5 | ||||
| 498 | Q | 37.4 | Very low | 39.5 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | cis | -149.9 | 152.4 | 5.6 | -142.9 | 167.6 | 63.9 | 0 | 0 | 112.7 | ||||
| 499 | P | 43 | Very low | 39.2 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -123.6 | 162 | -176.1 | 41.9 | -31 | 0 | 0 | 0 | 116.6 | ||||
| 500 | T | 41.7 | Very low | 38.9 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -158.9 | 148.5 | 160.1 | 47.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 501 | T | 39.4 | Very low | 39 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | cis | -158.8 | 153.1 | -19.5 | -75 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 502 | V | 37.5 | Very low | 39.1 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | trans | -127.3 | 125.4 | -174 | 175.4 | 0 | 0 | 0 | 0 | 113 | R504 | V502-R504 HydrophobicContact CG1-CB 4.16Š| ||
| 503 | E | 37.3 | Very low | 39.6 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -149.1 | 124.6 | 150.8 | -82.8 | -169 | 131.4 | 0 | 0 | 107 | ||||
| 504 | R | 37.9 | Very low | 39.6 | Very low | 213 Ų | 213 | 137.1 Ų | 137.1 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | cis | 83.5 | 67.1 | 16.6 | -149.1 | -175.6 | -151.7 | -119.6 | 4.6 | 116.5 | V502 | V502-R504 HydrophobicContact CG1-CB 4.16Š| ||
| 505 | Q | 36.7 | Very low | 39.7 | Very low | 195 Ų | 195 | 138.1 Ų | 138.1 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | trans | -117.7 | 126.5 | 149.7 | -70.7 | -165.7 | -3.2 | 0 | 0 | 111.1 | ||||
| 506 | T | 36.6 | Very low | 40.1 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | trans | -105.7 | 122.8 | 178.5 | 48.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 507 | S | 38.9 | Very low | 39.9 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -158.4 | 101.4 | 166.7 | -79.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 508 | S | 37.4 | Very low | 40.6 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | 31.5 | 127.7 | 140.8 | 58.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 509 | A | 31.8 | Very low | 41.6 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | trans | 67 | 81.2 | 142 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 510 | S | 37.3 | Very low | 42.3 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -105.1 | 125.3 | 155.5 | 54 | 0 | 0 | 0 | 0 | 110.8 | I512 | S510-I512 PolarHBondContact O-N 3.1Š| ||
| 511 | S | 36.2 | Very low | 42.8 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -66.8 | 114.8 | 171.7 | 173.9 | 0 | 0 | 0 | 0 | 109.6 | K513 | S511-K513 PolarHBondContact O-N 3.01Å; S511-K513 VanDerWaalsContact O-N 3.16Å | ||
| 512 | I | 41 | Very low | 43.6 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -72.8 | 107.9 | 170.8 | -62 | -179.1 | 0 | 0 | 0 | 107.5 | S510 | S510-I512 PolarHBondContact O-N 3.1Š| ||
| 513 | K | 44.6 | Very low | 44.2 | Very low | 178 Ų | 178 | 136.4 Ų | 136.4 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | trans | -66 | 148.3 | 174.5 | -65.3 | 171.6 | -179.6 | 174.1 | 0 | 109.7 | S511 V515 | S511-K513 PolarHBondContact O-N 3.01Å; S511-K513 VanDerWaalsContact O-N 3.16Å; K513-V515 PolarHBondContact O-N 3.42Å | ||
| 514 | S | 40.8 | Very low | 44.3 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -45.4 | 122 | 168 | 53.1 | 0 | 0 | 0 | 0 | 111.9 | P516 | S514-P516 WeakPolarHBondContact O-CD 3.46Š| ||
| 515 | V | 46.8 | Very low | 45.1 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | -78 | 115.4 | 162.2 | 178.9 | 0 | 0 | 0 | 0 | 106.6 | K513 L517 | K513-V515 PolarHBondContact O-N 3.42Å; V515-L517 PolarHBondContact O-N 2.85Å | ||
| 516 | P | 47.9 | Very low | 45.9 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | trans | -72 | 124.3 | 178.8 | 29.1 | -32.7 | 0 | 0 | 0 | 109.9 | S514 N518 | S514-P516 WeakPolarHBondContact O-CD 3.46Å; P516-N518 PolarHBondContact O-N 3.05Å | ||
| 517 | L | 46.4 | Very low | 46.3 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -67.5 | 119.4 | 166.3 | -76.5 | 163.9 | 0 | 0 | 0 | 108.6 | V515 | V515-L517 PolarHBondContact O-N 2.85Š|
| 518 | N | 55.1 | Low | 46.5 | Very low | 96 Ų | 96 | 137.4 Ų | 137.4 | 51% | 0.513 | 76% | 0.761 | S | S | . | * | trans | 36.9 | 99.9 | 174.1 | -169.6 | 15.3 | 0 | 0 | 0 | 116.9 | P516 D520 A521 | P516-N518 PolarHBondContact O-N 3.05Å; N518-D520 PolarHBondContact O-N 3.28Å; N518-D520 VanDerWaalsContact O-N 3.13Å; N518-D520 PolarHBondContact OD1-N 2.9Å; N518-D520 VanDerWaalsContact OD1-N 3.1Å; N518-A521 HydrophobicContact CB-CB 4.12Å; N518-A521 WeakPolarHBondContact O-CB 3.41Å; N518-A521 PolarHBondContact O-N 3.46Å; N518-A521 VanDerWaalsContact O-N 3.15Å | ||
| 519 | P | 59.2 | Low | 46.6 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -16.8 | 176.7 | 30 | -36.2 | 0 | 0 | 0 | 114.2 | ||
| 520 | D | 57.5 | Low | 47 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 9.3 | 179.2 | -58.6 | -39.9 | 0 | 0 | 0 | 113 | N518 E522 | N518-D520 PolarHBondContact O-N 3.28Å; N518-D520 VanDerWaalsContact O-N 3.13Å; N518-D520 PolarHBondContact OD1-N 2.9Å; N518-D520 VanDerWaalsContact OD1-N 3.1Å; D520-E522 PolarHBondContact O-N 3.25Å |
| 521 | A | 51.6 | Low | 46.9 | Very low | 61 Ų | 61 | 146 Ų | 146 | 50% | 0.504 | 77% | 0.766 | S | S | . | * | S | Bend | trans | -81 | 109.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | N518 E523 | N518-A521 HydrophobicContact CB-CB 4.12Å; N518-A521 WeakPolarHBondContact O-CB 3.41Å; N518-A521 PolarHBondContact O-N 3.46Å; N518-A521 VanDerWaalsContact O-N 3.15Å; A521-E523 PolarHBondContact O-N 3.46Å; A521-E523 VanDerWaalsContact O-N 3.13Å |
| 522 | E | 56.5 | Low | 46.9 | Very low | 191 Ų | 191 | 148.4 Ų | 148.4 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | -60.2 | 119 | 173.9 | -72.4 | -153.7 | 147.1 | 0 | 0 | 110.9 | D520 F524 | D520-E522 PolarHBondContact O-N 3.25Å; E522-F524 PolarHBondContact O-N 2.85Å; E522-F524 VanDerWaalsContact O-N 3.08Å | ||
| 523 | E | 50.7 | Low | 46.6 | Very low | 137 Ų | 137 | 147 Ų | 147 | 64% | 0.64 | 77% | 0.767 | S | S | * | * | trans | -59.6 | 110.8 | 177.1 | -178.2 | -174.8 | -131.1 | 0 | 0 | 109.7 | A521 R525 | A521-E523 PolarHBondContact O-N 3.46Å; A521-E523 VanDerWaalsContact O-N 3.13Å; E523-R525 VanDerWaalsContact C-N 3.32Å; E523-R525 HydrophobicContact CG-CG 4.26Å; E523-R525 PolarHBondContact O-N 3.46Å; E523-R525 IonicContact OE2-CZ 3.14Å; E523-R525 IonicContact OE2-NE 2.72Å; E523-R525 PolarHBondContact OE2-NE 3.07Å; E523-R525 IonicContact OE2-NH2 2.7Å; E523-R525 PolarHBondContact OE2-NH2 2.87Å | ||
| 524 | F | 38.5 | Very low | 46.1 | Very low | 201 Ų | 201 | 143.1 Ų | 143.1 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | trans | -72.9 | 84.5 | -174.8 | -152.3 | -81.8 | 0 | 0 | 0 | 110.7 | E522 P526 | E522-F524 PolarHBondContact O-N 2.85Å; E522-F524 VanDerWaalsContact O-N 3.08Å; F524-P526 WeakPolarHBondContact O-CD 3.44Å | ||
| 525 | R | 56.3 | Low | 45.9 | Very low | 194 Ų | 194 | 146.8 Ų | 146.8 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | trans | -75.1 | 110.4 | -177.2 | -71.3 | 179.8 | 177 | -152.6 | -7.9 | 111 | E523 M527 | E523-R525 VanDerWaalsContact C-N 3.32Å; E523-R525 HydrophobicContact CG-CG 4.26Å; E523-R525 PolarHBondContact O-N 3.46Å; E523-R525 IonicContact OE2-CZ 3.14Å; E523-R525 IonicContact OE2-NE 2.72Å; E523-R525 PolarHBondContact OE2-NE 3.07Å; E523-R525 IonicContact OE2-NH2 2.7Å; E523-R525 PolarHBondContact OE2-NH2 2.87Å; R525-M527 PolarHBondContact O-N 3.4Å | ||
| 526 | P | 52.3 | Low | 45.5 | Very low | 114 Ų | 114 | 149.3 Ų | 149.3 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | trans | -64.1 | 122.5 | 170 | 27.7 | -33.5 | 0 | 0 | 0 | 109 | F524 H528 | F524-P526 WeakPolarHBondContact O-CD 3.44Å; P526-H528 PolarHBondContact O-N 3.43Å | ||
| 527 | M | 46.1 | Very low | 45.5 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | -60.2 | 111.3 | 175.5 | -79.9 | -79.8 | -79.4 | 0 | 0 | 109.5 | R525 M529 | R525-M527 PolarHBondContact O-N 3.4Å; M527-M529 PolarHBondContact O-N 3.25Å | ||
| 528 | H | 42.7 | Very low | 45.3 | Very low | 162 Ų | 162 | 148 Ų | 148 | 75% | 0.75 | 78% | 0.778 | S | S | * | * | trans | -69.8 | 90.4 | -177.7 | -172.9 | 82.5 | 0 | 0 | 0 | 110.3 | P526 Q530 | P526-H528 PolarHBondContact O-N 3.43Å; H528-Q530 PolarHBondContact O-N 3.22Å | ||
| 529 | M | 39.2 | Very low | 44.4 | Very low | 186 Ų | 186 | 150 Ų | 150 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | -65.3 | 98 | 173.9 | -89.7 | -166.1 | 157.6 | 0 | 0 | 110.1 | M527 | M527-M529 PolarHBondContact O-N 3.25Š| ||
| 530 | Q | 40.7 | Very low | 43.2 | Very low | 157 Ų | 157 | 152.3 Ų | 152.3 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -67.9 | 135.5 | 168.9 | -67.5 | -173.1 | -25.4 | 0 | 0 | 109.9 | H528 I532 | H528-Q530 PolarHBondContact O-N 3.22Å; Q530-I532 PolarHBondContact O-N 2.91Å; Q530-I532 VanDerWaalsContact O-N 3.16Å | ||
| 531 | N | 34.8 | Very low | 42.4 | Very low | 168 Ų | 168 | 152.1 Ų | 152.1 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | trans | -54.6 | 117.3 | 174.9 | -99 | -59.7 | 0 | 0 | 0 | 111.1 | ||||
| 532 | I | 35.8 | Very low | 41.6 | Very low | 159 Ų | 159 | 158.3 Ų | 158.3 | 82% | 0.815 | 82% | 0.816 | S | S | * | * | trans | -111.8 | 121.5 | 160.1 | -65.6 | -177.1 | 0 | 0 | 0 | 107.7 | Q530 | Q530-I532 PolarHBondContact O-N 2.91Å; Q530-I532 VanDerWaalsContact O-N 3.16Å | ||
| 533 | V | 35.4 | Very low | 40.7 | Very low | 127 Ų | 127 | 155.4 Ų | 155.4 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -61.1 | 146.5 | -177.9 | 174.3 | 0 | 0 | 0 | 0 | 111 | Q535 | V533-Q535 PolarHBondContact O-N 3.25Š| ||
| 534 | A | 33.2 | Very low | 39.9 | Very low | 98 Ų | 98 | 156.3 Ų | 156.3 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -46.9 | 128.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 535 | Q | 37 | Very low | 39.8 | Very low | 187 Ų | 187 | 155.2 Ų | 155.2 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -133 | 140.2 | 158.1 | -66.2 | -167.6 | 8 | 0 | 0 | 109.3 | V533 | V533-Q535 PolarHBondContact O-N 3.25Š| ||
| 536 | Q | 39.2 | Very low | 38.7 | Very low | 184 Ų | 184 | 153.5 Ų | 153.5 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 146.9 | -179.2 | -66.4 | 171.4 | -28.9 | 0 | 0 | 111 | ||
| 537 | P | 46.6 | Very low | 37.7 | Very low | 119 Ų | 119 | 158.7 Ų | 158.7 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 130 | 169.2 | 28.9 | -33.2 | 0 | 0 | 0 | 110.1 | ||
| 538 | P | 42.1 | Very low | 37 | Very low | 126 Ų | 126 | 155.1 Ų | 155.1 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 132.2 | -179.6 | 29.8 | -34 | 0 | 0 | 0 | 111.4 | ||
| 539 | T | 37.1 | Very low | 36.6 | Very low | 140 Ų | 140 | 155.3 Ų | 155.3 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 137.6 | 167.4 | 43.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 540 | L | 34.7 | Very low | 36.6 | Very low | 164 Ų | 164 | 152.2 Ų | 152.2 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | -132.6 | 89.8 | 170 | -135.6 | 177.4 | 0 | 0 | 0 | 110.3 | ||||
| 541 | L | 39.4 | Very low | 36.2 | Very low | 141 Ų | 141 | 151.3 Ų | 151.3 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | trans | -86 | 126.6 | 171.1 | -172.3 | 100.1 | 0 | 0 | 0 | 109 | Q543 | L541-Q543 HydrophobicContact CD2-CB 4.29Š| ||
| 542 | Q | 35.4 | Very low | 36.3 | Very low | 191 Ų | 191 | 147.9 Ų | 147.9 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -128.5 | 129.6 | 154.8 | -172.3 | 140.5 | 90.9 | 0 | 0 | 109.8 | ||||
| 543 | Q | 38.2 | Very low | 36.2 | Very low | 130 Ų | 130 | 148.7 Ų | 148.7 | 61% | 0.607 | 81% | 0.812 | S | S | * | * | trans | -131.5 | 159.8 | -168.8 | -163.5 | -165.2 | 79.2 | 0 | 0 | 108.3 | L541 | L541-Q543 HydrophobicContact CD2-CB 4.29Š| ||
| 544 | Q | 34.2 | Very low | 36.3 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 73% | 0.729 | 81% | 0.814 | S | S | * | * | trans | 70.4 | 97.2 | 166.5 | -45.2 | -174.8 | 19.8 | 0 | 0 | 117.8 | ||||
| 545 | M | 34.8 | Very low | 36.4 | Very low | 178 Ų | 178 | 147.4 Ų | 147.4 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | -151.3 | 140.2 | 116.7 | -78.7 | -152.6 | -74.7 | 0 | 0 | 107.5 | |||||
| 546 | L | 34.1 | Very low | 36.4 | Very low | 158 Ų | 158 | 142.7 Ų | 142.7 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | cis | -142.5 | 168.4 | -5.2 | -152.7 | 72 | 0 | 0 | 0 | 109.8 | ||||
| 547 | R | 31.4 | Very low | 36.3 | Very low | 222 Ų | 222 | 142.1 Ų | 142.1 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -81.6 | 159.9 | -178.5 | -69 | 173.3 | 166 | 167.1 | -6.4 | 113.4 | ||||
| 548 | S | 31.5 | Very low | 35.8 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 103.5 | 153.6 | 133.5 | 78.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 549 | M | 33.6 | Very low | 35.7 | Very low | 167 Ų | 167 | 144.2 Ų | 144.2 | 82% | 0.823 | 80% | 0.799 | S | S | * | * | trans | 82.1 | 87.8 | 163.1 | -53.6 | -160.8 | 179.8 | 0 | 0 | 119.6 | ||||
| 550 | T | 38.6 | Very low | 35.4 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | 20.7 | 131.2 | 123.4 | 51.4 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 551 | P | 32.9 | Very low | 35.5 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | trans | -72.9 | 140 | 168 | 32.5 | -34.1 | 0 | 0 | 0 | 111.8 | ||||
| 552 | A | 37.9 | Very low | 35.6 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | trans | -141.7 | 148.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 553 | N | 34 | Very low | 36.6 | Very low | 177 Ų | 177 | 138.6 Ų | 138.6 | 95% | 0.947 | 80% | 0.795 | S | S | * | * | trans | -75.1 | 150 | -171.2 | -62.2 | -43.2 | 0 | 0 | 0 | 113.6 | ||||
| 554 | G | 36.2 | Very low | 37.1 | Very low | 79 Ų | 79 | 137.9 Ų | 137.9 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | -175.1 | 127.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 555 | S | 35.7 | Very low | 37.5 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -135.9 | 136.4 | -169.6 | 51.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 556 | A | 38 | Very low | 38.1 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -163.4 | 133.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 557 | F | 36 | Very low | 38.7 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 75% | 0.75 | 79% | 0.793 | S | S | * | * | 61.8 | 126.1 | 57 | -71.6 | -71.5 | 0 | 0 | 0 | 112.5 | |||||
| 558 | F | 35.8 | Very low | 39.2 | Very low | 183 Ų | 183 | 126.8 Ų | 126.8 | 80% | 0.803 | 79% | 0.792 | S | S | * | * | cis | -141.4 | 170.5 | 16.3 | -79.8 | -83.2 | 0 | 0 | 0 | 113.6 | ||||
| 559 | P | 39.6 | Very low | 40.1 | Very low | 107 Ų | 107 | 126 Ų | 126 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -111.7 | -168.4 | -178.7 | 42.8 | -34.2 | 0 | 0 | 0 | 115.3 | ||||
| 560 | L | 32.3 | Very low | 40.8 | Very low | 165 Ų | 165 | 123.7 Ų | 123.7 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | 94.6 | 111.5 | 166.5 | -69.9 | 146 | 0 | 0 | 0 | 119.7 | ||||
| 561 | A | 36.8 | Very low | 41 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -160.6 | 148.6 | 141.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 562 | V | 40.9 | Very low | 41.6 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -136.9 | 144.4 | -178.2 | 167.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 563 | P | 56.3 | Low | 41.6 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | -92.4 | 179.9 | -163.8 | 38.4 | -39.2 | 0 | 0 | 0 | 114.4 | ||||
| 564 | P | 49.8 | Very low | 42 | Very low | 116 Ų | 116 | 121.6 Ų | 121.6 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -150 | 134.8 | 137.5 | 34 | -14.9 | 0 | 0 | 0 | 118.9 | ||||
| 565 | N | 42.2 | Very low | 42.1 | Very low | 151 Ų | 151 | 123.4 Ų | 123.4 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | 77.1 | -175.7 | 125.3 | -155.5 | 16 | 0 | 0 | 0 | 122.2 | |||||
| 566 | V | 46.8 | Very low | 42 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | 91.3 | 145.4 | 169 | -89.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 567 | P | 47.2 | Very low | 41.8 | Very low | 106 Ų | 106 | 127 Ų | 127 | 69% | 0.688 | 80% | 0.796 | S | S | * | * | -147.8 | -178.8 | -110.7 | 47.1 | -27.6 | 0 | 0 | 0 | 120 | |||||
| 568 | A | 42.4 | Very low | 41.7 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | 57.7 | 168 | 146.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 569 | A | 49.8 | Very low | 41.5 | Very low | 88 Ų | 88 | 123.1 Ų | 123.1 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | cis | -158.8 | -161.8 | 4.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 570 | P | 48.7 | Very low | 41.1 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | cis | -133.1 | 148.4 | -37.1 | 34.7 | -16.7 | 0 | 0 | 0 | 116.3 | ||||
| 571 | Q | 41.7 | Very low | 41.3 | Very low | 197 Ų | 197 | 123.5 Ų | 123.5 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | 25 | 127.1 | 144.2 | -58.1 | -175.8 | 3.5 | 0 | 0 | 124.7 | ||||
| 572 | S | 45.4 | Very low | 41.1 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -158.1 | 158.2 | 136.1 | 69.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 573 | G | 38.8 | Very low | 40.9 | Very low | 86 Ų | 86 | 120.7 Ų | 120.7 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | cis | 167.2 | 51.1 | -10.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 574 | G | 42.6 | Very low | 40 | Very low | 75 Ų | 75 | 121.7 Ų | 121.7 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -170.7 | 161.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 575 | S | 36.3 | Very low | 39.2 | Very low | 118 Ų | 118 | 124.5 Ų | 124.5 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -139.1 | 142.4 | -157.6 | -99.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 576 | V | 33.7 | Very low | 38.7 | Very low | 126 Ų | 126 | 121.1 Ų | 121.1 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | 86.8 | 134.2 | 138.4 | 169.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 577 | L | 34.7 | Very low | 37.8 | Very low | 156 Ų | 156 | 124 Ų | 124 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | trans | 87.5 | 142.5 | 163.4 | -80.7 | 167.3 | 0 | 0 | 0 | 122.2 | ||||
| 578 | L | 33 | Very low | 37 | Very low | 146 Ų | 146 | 128.8 Ų | 128.8 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | trans | -39.7 | 158.1 | 178.4 | -84.7 | 58.6 | 0 | 0 | 0 | 116 | ||||
| 579 | N | 32.4 | Very low | 36.7 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 67% | 0.674 | 81% | 0.808 | S | S | * | * | cis | -156.3 | 176 | 27.3 | -154 | 2.2 | 0 | 0 | 0 | 114 | ||||
| 580 | Q | 31.4 | Very low | 35.9 | Very low | 176 Ų | 176 | 131.6 Ų | 131.6 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | -13.1 | 122.2 | 167.9 | -68.3 | 169.6 | -1.6 | 0 | 0 | 119.3 | ||||
| 581 | A | 37.3 | Very low | 35.3 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | -167.9 | 141.6 | 139.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 582 | G | 32.6 | Very low | 35 | Very low | 87 Ų | 87 | 125.4 Ų | 125.4 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | 70.7 | 92.5 | 139.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 583 | A | 36.8 | Very low | 34.7 | Very low | 89 Ų | 89 | 125 Ų | 125 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -134.5 | 134.3 | 146.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q585 | A583-Q585 PolarHBondContact O-N 3.45Å; A583-Q585 VanDerWaalsContact O-N 3.17Å | ||
| 584 | P | 36.7 | Very low | 34.7 | Very low | 137 Ų | 137 | 123.8 Ų | 123.8 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | trans | -77.6 | 105.4 | -171.7 | 29.8 | -33.9 | 0 | 0 | 0 | 111.8 | ||||
| 585 | Q | 31.9 | Very low | 34.7 | Very low | 176 Ų | 176 | 122.8 Ų | 122.8 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | -72 | 132.6 | 164.6 | -77.2 | -71.3 | -3.7 | 0 | 0 | 110 | A583 M587 | A583-Q585 PolarHBondContact O-N 3.45Å; A583-Q585 VanDerWaalsContact O-N 3.17Å; Q585-M587 PolarHBondContact O-N 3.08Å; Q585-M587 VanDerWaalsContact O-N 3.15Å | ||
| 586 | A | 33.2 | Very low | 35 | Very low | 80 Ų | 80 | 119 Ų | 119 | 66% | 0.661 | 72% | 0.722 | S | S | * | * | trans | -74.2 | 102.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y588 | A586-Y588 PolarHBondContact O-N 3.06Š| ||
| 587 | M | 27.9 | Very low | 35.4 | Very low | 184 Ų | 184 | 118.2 Ų | 118.2 | 91% | 0.906 | 71% | 0.709 | S | S | * | * | trans | -69.9 | 101.9 | 174 | -79.1 | -170.4 | -100 | 0 | 0 | 110.4 | Q585 | Q585-M587 PolarHBondContact O-N 3.08Å; Q585-M587 VanDerWaalsContact O-N 3.15Å | ||
| 588 | Y | 30.5 | Very low | 35.6 | Very low | 206 Ų | 206 | 115.1 Ų | 115.1 | 81% | 0.808 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 136.9 | 154.9 | -76.3 | -95.8 | 0 | 0 | 0 | 108.7 | A586 T590 | A586-Y588 PolarHBondContact O-N 3.06Å; Y588-T590 PolarHBondContact O-N 3.06Å |
| 589 | P | 34.4 | Very low | 35.8 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 128.7 | 174.6 | 27.8 | -33.2 | 0 | 0 | 0 | 109.9 | ||
| 590 | T | 33.8 | Very low | 35.9 | Very low | 131 Ų | 131 | 116.9 Ų | 116.9 | 80% | 0.804 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 132.8 | 169.6 | -47.8 | 0 | 0 | 0 | 0 | 109.3 | Y588 G592 | Y588-T590 PolarHBondContact O-N 3.06Å; T590-G592 PolarHBondContact O-N 3.36Å; T590-G592 VanDerWaalsContact O-N 3.1Å |
| 591 | P | 37.3 | Very low | 36 | Very low | 120 Ų | 120 | 110.2 Ų | 110.2 | 78% | 0.779 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 119.3 | 176.4 | -25.9 | 34.9 | 0 | 0 | 0 | 110.9 | ||
| 592 | G | 35.2 | Very low | 35.8 | Very low | 65 Ų | 65 | 112.8 Ų | 112.8 | 67% | 0.67 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 156.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | T590 F594 | T590-G592 PolarHBondContact O-N 3.36Å; T590-G592 VanDerWaalsContact O-N 3.1Å; G592-F594 VanDerWaalsContact C-N 3.33Å; G592-F594 PolarHBondContact O-N 3.42Å |
| 593 | S | 38.5 | Very low | 36 | Very low | 119 Ų | 119 | 113.8 Ų | 113.8 | 83% | 0.832 | 67% | 0.67 | S | S | * | * | trans | -66.6 | 88.6 | -179.1 | 55.8 | 0 | 0 | 0 | 0 | 111.5 | S595 | S593-S595 PolarHBondContact O-N 3.44Š| ||
| 594 | F | 37.9 | Very low | 35.9 | Very low | 62 Ų | 62 | 114 Ų | 114 | 27% | 0.272 | 66% | 0.664 | S | S | . | * | trans | -59 | 130.8 | 171.7 | 173.1 | -90.5 | 0 | 0 | 0 | 109.7 | L35 F101 V104 V107 G592 V596 | L35-F594 HydrophobicContact CD1-CE1 3.55Å; L35-F594 HydrophobicContact CD1-CZ 3.62Å; F101-F594 HydrophobicContact CE2-CD2 4.15Å; F101-F594 HydrophobicContact CE2-CE2 4.02Å; F101-F594 HydrophobicContact CE2-CZ 4.48Å; F101-F594 HydrophobicContact CZ-CD2 4.29Å; F101-F594 HydrophobicContact CZ-CG 4.45Å; V104-F594 HydrophobicContact CG1-CD2 4.36Å; V104-F594 HydrophobicContact CG1-CE2 3.98Å; V107-F594 HydrophobicContact CG2-CE2 4.41Å; G592-F594 VanDerWaalsContact C-N 3.33Å; G592-F594 PolarHBondContact O-N 3.42Å; F594-V596 HydrophobicContact CE1-CG2 3.45Å; F594-V596 VanDerWaalsContact CE1-CG2 3.45Å; F594-V596 HydrophobicContact CZ-CG2 3.82Å | ||
| 595 | S | 43.9 | Very low | 35.8 | Very low | 54 Ų | 54 | 115.7 Ų | 115.7 | 38% | 0.378 | 67% | 0.665 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.6 | 129.8 | 176.7 | 57.8 | 0 | 0 | 0 | 0 | 111 | S593 | S593-S595 PolarHBondContact O-N 3.44Å |
| 596 | V | 41.7 | Very low | 35.8 | Very low | 39 Ų | 39 | 117 Ų | 117 | 24% | 0.236 | 66% | 0.663 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.1 | 114 | 160.7 | -164.4 | 0 | 0 | 0 | 0 | 106.5 | Y38 F594 V598 | Y38-V596 HydrophobicContact CD1-CG1 4.41Å; Y38-V596 HydrophobicContact CD2-CB 4.39Å; Y38-V596 HydrophobicContact CD2-CG2 3.99Å; Y38-V596 HydrophobicContact CG-CB 4.45Å; Y38-V596 HydrophobicContact CG-CG1 4.21Å; Y38-V596 HydrophobicContact CG-CG2 4.24Å; F594-V596 HydrophobicContact CE1-CG2 3.45Å; F594-V596 VanDerWaalsContact CE1-CG2 3.45Å; F594-V596 HydrophobicContact CZ-CG2 3.82Å; V596-V598 HydrophobicContact CG1-CG2 3.78Å; V596-V598 PolarHBondContact O-N 3.49Å |
| 597 | Q | 43.1 | Very low | 35.6 | Very low | 109 Ų | 109 | 118.7 Ų | 118.7 | 51% | 0.509 | 66% | 0.661 | S | S | . | * | trans | -94.5 | 91.4 | 171.3 | -73.3 | -174.1 | -17.4 | 0 | 0 | 109.1 | ||||
| 598 | V | 38.8 | Very low | 35.9 | Very low | 90 Ų | 90 | 116.6 Ų | 116.6 | 55% | 0.545 | 66% | 0.658 | S | S | . | * | trans | -90.8 | 117.6 | 165.3 | -173.5 | 0 | 0 | 0 | 0 | 107.6 | Y38 V596 P600 | Y38-V598 HydrophobicContact CD1-CG2 3.95Å; Y38-V598 HydrophobicContact CE1-CG2 3.94Å; V596-V598 HydrophobicContact CG1-CG2 3.78Å; V596-V598 PolarHBondContact O-N 3.49Å; V598-P600 WeakPolarHBondContact O-CD 3.47Å | ||
| 599 | Y | 35.9 | Very low | 36 | Very low | 181 Ų | 181 | 114.5 Ų | 114.5 | 71% | 0.71 | 66% | 0.656 | S | S | * | * | trans | -73.7 | 122.3 | 174.3 | -79.4 | -93 | 0 | 0 | 0 | 109.7 | G601 | Y599-G601 PolarHBondContact O-N 2.86Š| ||
| 600 | P | 35.3 | Very low | 35.9 | Very low | 128 Ų | 128 | 113.8 Ų | 113.8 | 83% | 0.831 | 65% | 0.654 | S | S | * | * | trans | -81.5 | 88.6 | -168.9 | 31.4 | -35.5 | 0 | 0 | 0 | 112.8 | V598 | V598-P600 WeakPolarHBondContact O-CD 3.47Š| ||
| 601 | G | 32.7 | Very low | 35.7 | Very low | 36 Ų | 36 | 113.8 Ų | 113.8 | 37% | 0.371 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -72.5 | 161.9 | 144.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y599 | Y599-G601 PolarHBondContact O-N 2.86Š|
| 602 | N | 33 | Very low | 35.6 | Very low | 160 Ų | 160 | 116.8 Ų | 116.8 | 86% | 0.856 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -60 | 137.4 | 171.8 | -81.2 | -16.9 | 0 | 0 | 0 | 109.9 | ||
| 603 | P | 37.3 | Very low | 35.4 | Very low | 107 Ų | 107 | 117.6 Ų | 117.6 | 70% | 0.695 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 133.5 | 177.2 | 26.7 | -34.1 | 0 | 0 | 0 | 110.3 | L605 | P603-L605 PolarHBondContact O-N 3.04Š|
| 604 | P | 36.1 | Very low | 35.2 | Very low | 94 Ų | 94 | 118.1 Ų | 118.1 | 61% | 0.61 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 120.9 | 174 | 26.7 | -33 | 0 | 0 | 0 | 109.6 | Y606 | P604-Y606 VanDerWaalsContact C-N 3.32Å; P604-Y606 HydrophobicContact CB-CD2 4.48Å; P604-Y606 HydrophobicContact CB-CE2 4.33Å; P604-Y606 HydrophobicContact CG-CD2 4.23Å; P604-Y606 HydrophobicContact CG-CE2 3.79Å; P604-Y606 PolarHBondContact O-N 3.5Å |
| 605 | L | 33.3 | Very low | 35 | Very low | 173 Ų | 173 | 121.2 Ų | 121.2 | 91% | 0.906 | 69% | 0.687 | S | S | * | * | trans | -72 | 90.3 | 168.5 | -70.9 | 174.5 | 0 | 0 | 0 | 108.5 | P603 N607 | P603-L605 PolarHBondContact O-N 3.04Å; L605-N607 PolarHBondContact O-N 3.25Å | ||
| 606 | Y | 32.1 | Very low | 34.4 | Very low | 202 Ų | 202 | 122.8 Ų | 122.8 | 79% | 0.792 | 70% | 0.704 | S | S | * | * | trans | -60 | 102.7 | 172.4 | -83.1 | -84.5 | 0 | 0 | 0 | 110.2 | P604 V608 | P604-Y606 VanDerWaalsContact C-N 3.32Å; P604-Y606 HydrophobicContact CB-CD2 4.48Å; P604-Y606 HydrophobicContact CB-CE2 4.33Å; P604-Y606 HydrophobicContact CG-CD2 4.23Å; P604-Y606 HydrophobicContact CG-CE2 3.79Å; P604-Y606 PolarHBondContact O-N 3.5Å; Y606-V608 PolarHBondContact O-N 3.2Å | ||
| 607 | N | 29.1 | Very low | 33.9 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 62% | 0.62 | 73% | 0.727 | S | S | * | * | trans | -74.2 | 114.6 | 169.4 | -174.8 | 20.3 | 0 | 0 | 0 | 108.8 | L605 Q609 | L605-N607 PolarHBondContact O-N 3.25Å; N607-Q609 PolarHBondContact O-N 3.05Å | ||
| 608 | V | 33.2 | Very low | 33.4 | Very low | 140 Ų | 140 | 130 Ų | 130 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -80 | 48 | -173.1 | -162.9 | 0 | 0 | 0 | 0 | 111.3 | Y606 | Y606-V608 PolarHBondContact O-N 3.2Š|
| 609 | Q | 33.6 | Very low | 33.1 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | -145.1 | 55.1 | -174.5 | -68.7 | -164 | -40 | 0 | 0 | 112.9 | N607 | N607-Q609 PolarHBondContact O-N 3.05Š| ||
| 610 | S | 32.1 | Very low | 33 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | -157.1 | 56 | 169.3 | 48.3 | 0 | 0 | 0 | 0 | 113.4 | Q612 | S610-Q612 PolarHBondContact O-N 3.35Š| ||
| 611 | S | 30.2 | Very low | 32.8 | Very low | 131 Ų | 131 | 129 Ų | 129 | 92% | 0.916 | 75% | 0.751 | S | S | * | * | trans | -75.5 | 71.9 | 165.8 | 61.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 612 | Q | 34 | Very low | 32.9 | Very low | 183 Ų | 183 | 132 Ų | 132 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -112.2 | 132.7 | 167.3 | -76.9 | -174 | -24 | 0 | 0 | 109.5 | S610 | S610-Q612 PolarHBondContact O-N 3.35Š| ||
| 613 | A | 32.6 | Very low | 32.9 | Very low | 83 Ų | 83 | 132.1 Ų | 132.1 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | trans | -71.3 | 153.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V615 | A613-V615 PolarHBondContact O-N 3.03Š| ||
| 614 | P | 34.2 | Very low | 32.9 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 84% | 0.844 | 78% | 0.779 | S | S | * | * | trans | -64.3 | 107 | 175.3 | 26.6 | -34.1 | 0 | 0 | 0 | 110.4 | A616 | P614-A616 PolarHBondContact O-N 2.93Š| ||
| 615 | V | 33.1 | Very low | 33 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | -71.9 | 106.4 | 169.7 | 178.4 | 0 | 0 | 0 | 0 | 107.8 | A613 I617 | A613-V615 PolarHBondContact O-N 3.03Å; V615-I617 HydrophobicContact CG1-CG1 4.24Å; V615-I617 PolarHBondContact O-N 3.08Å | ||
| 616 | A | 30.7 | Very low | 33.1 | Very low | 88 Ų | 88 | 140.2 Ų | 140.2 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -71 | 93.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | P614 L618 | P614-A616 PolarHBondContact O-N 2.93Å; A616-L618 VanDerWaalsContact C-N 3.27Å; A616-L618 PolarHBondContact O-N 2.56Å | ||
| 617 | I | 32 | Very low | 33.3 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | -72.3 | 85.1 | 172.9 | -56 | 177.2 | 0 | 0 | 0 | 108.6 | V615 Q619 | V615-I617 HydrophobicContact CG1-CG1 4.24Å; V615-I617 PolarHBondContact O-N 3.08Å; I617-Q619 HydrophobicContact CG2-CG 4.2Å; I617-Q619 PolarHBondContact O-N 3.13Å | ||
| 618 | L | 33 | Very low | 33.8 | Very low | 160 Ų | 160 | 142 Ų | 142 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -67.9 | 96.5 | 164.4 | -80.7 | 167.8 | 0 | 0 | 0 | 108.7 | A616 S620 | A616-L618 VanDerWaalsContact C-N 3.27Å; A616-L618 PolarHBondContact O-N 2.56Å; L618-S620 PolarHBondContact O-N 3.44Å | ||
| 619 | Q | 31.5 | Very low | 34.1 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -65.4 | 97.2 | 170.9 | -71.9 | -172.8 | -16.3 | 0 | 0 | 109.9 | I617 S621 | I617-Q619 HydrophobicContact CG2-CG 4.2Å; I617-Q619 PolarHBondContact O-N 3.13Å; Q619-S621 VanDerWaalsContact C-N 3.3Å; Q619-S621 PolarHBondContact O-N 3.18Å | ||
| 620 | S | 32.9 | Very low | 34.4 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | -75.6 | 81 | 173 | 49.1 | 0 | 0 | 0 | 0 | 110.6 | L618 S622 | L618-S620 PolarHBondContact O-N 3.44Å; S620-S622 PolarHBondContact O-N 3.32Å | ||
| 621 | S | 31.5 | Very low | 34.7 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | -68 | 63.7 | -178.2 | -62.2 | 0 | 0 | 0 | 0 | 113.9 | Q619 | Q619-S621 VanDerWaalsContact C-N 3.3Å; Q619-S621 PolarHBondContact O-N 3.18Å | ||
| 622 | S | 34.9 | Very low | 35.1 | Very low | 97 Ų | 97 | 143.7 Ų | 143.7 | 68% | 0.678 | 81% | 0.813 | S | S | * | * | trans | -133.1 | 54.6 | -166.4 | -59 | 0 | 0 | 0 | 0 | 113.1 | S620 | S620-S622 PolarHBondContact O-N 3.32Š| ||
| 623 | N | 34.5 | Very low | 35.2 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | -152.3 | 49.3 | 175.7 | -104.4 | -51.4 | 0 | 0 | 0 | 115.1 | ||||
| 624 | L | 36.3 | Very low | 35.4 | Very low | 181 Ų | 181 | 139 Ų | 139 | 95% | 0.948 | 82% | 0.822 | S | S | * | * | trans | -90 | 106.9 | 166.7 | -74.9 | 177.8 | 0 | 0 | 0 | 111.2 | ||||
| 625 | R | 37 | Very low | 35.5 | Very low | 234 Ų | 234 | 141.8 Ų | 141.8 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -83.1 | 124.8 | -176.2 | -168 | -177.7 | -168.8 | -177.4 | 6 | 111 | S627 | R625-S627 PolarHBondContact O-N 3.19Š| ||
| 626 | P | 35.9 | Very low | 35.6 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 83% | 0.831 | 83% | 0.832 | S | S | * | * | trans | -72.4 | 112.7 | -175.8 | 27.4 | -34.1 | 0 | 0 | 0 | 112 | ||||
| 627 | S | 37.5 | Very low | 36.2 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 83% | 0.832 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 140.6 | 167.4 | -167.2 | 0 | 0 | 0 | 0 | 110.5 | R625 | R625-S627 PolarHBondContact O-N 3.19Š|
| 628 | R | 39 | Very low | 36.4 | Very low | 238 Ų | 238 | 146.7 Ų | 146.7 | 90% | 0.898 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 134.3 | -170 | -72.8 | 178.9 | 169.4 | -179.3 | -4.8 | 112.6 | ||
| 629 | K | 38.7 | Very low | 37.1 | Very low | 204 Ų | 204 | 145.1 Ų | 145.1 | 89% | 0.887 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 137.2 | 162.3 | -68.8 | 177.5 | 178.7 | 173.1 | 0 | 109.9 | ||
| 630 | S | 41.5 | Very low | 37.3 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 82% | 0.818 | 84% | 0.843 | S | S | * | * | trans | -118.7 | 127.8 | 162.5 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 631 | N | 38 | Very low | 37.5 | Very low | 168 Ų | 168 | 142 Ų | 142 | 90% | 0.898 | 84% | 0.84 | S | S | * | * | trans | -71.6 | 144.3 | 179.3 | -88.9 | -11.5 | 0 | 0 | 0 | 111.7 | ||||
| 632 | G | 38.3 | Very low | 37.9 | Very low | 79 Ų | 79 | 141.5 Ų | 141.5 | 81% | 0.814 | 84% | 0.843 | S | S | * | * | trans | 177.3 | 84.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 633 | G | 35.9 | Very low | 38.2 | Very low | 89 Ų | 89 | 141.4 Ų | 141.4 | 92% | 0.918 | 85% | 0.848 | S | S | * | * | trans | -80.1 | 147.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 634 | G | 36.2 | Very low | 38.7 | Very low | 80 Ų | 80 | 140 Ų | 140 | 83% | 0.825 | 85% | 0.848 | S | S | * | * | trans | -164.9 | 103.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 635 | Q | 36.8 | Very low | 38.9 | Very low | 187 Ų | 187 | 135 Ų | 135 | 87% | 0.874 | 84% | 0.84 | S | S | * | * | trans | -78.4 | 142.7 | 176.3 | -59.7 | 171.8 | -1.7 | 0 | 0 | 110.1 | ||||
| 636 | H | 36.3 | Very low | 39.1 | Very low | 201 Ų | 201 | 131.1 Ų | 131.1 | 93% | 0.931 | 84% | 0.837 | S | S | * | * | trans | -154.1 | 136.4 | 145.6 | -100.4 | -69.6 | 0 | 0 | 0 | 110.1 | ||||
| 637 | A | 41.9 | Very low | 39.3 | Very low | 96 Ų | 96 | 130.7 Ų | 130.7 | 79% | 0.793 | 84% | 0.836 | S | S | * | * | trans | -102.7 | 163.8 | -174 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 638 | L | 36.9 | Very low | 39.3 | Very low | 160 Ų | 160 | 128.3 Ų | 128.3 | 84% | 0.838 | 83% | 0.831 | S | S | * | * | trans | -69.6 | 158.3 | 173.8 | -57.2 | 171.3 | 0 | 0 | 0 | 112.2 | ||||
| 639 | P | 46.8 | Very low | 39.3 | Very low | 126 Ų | 126 | 122 Ų | 122 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -109.5 | 131.1 | 147.9 | 34 | -25.8 | 0 | 0 | 0 | 111.4 | ||||
| 640 | V | 36 | Very low | 39.3 | Very low | 138 Ų | 138 | 116.5 Ų | 116.5 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | trans | -110.1 | 136.9 | 167 | 173.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 641 | G | 37.2 | Very low | 39.2 | Very low | 65 Ų | 65 | 119.5 Ų | 119.5 | 67% | 0.67 | 82% | 0.823 | S | S | * | * | trans | -135.4 | 125.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 642 | A | 39.9 | Very low | 39.1 | Very low | 101 Ų | 101 | 116.5 Ų | 116.5 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | 79.5 | 130.3 | 72 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 643 | A | 41.3 | Very low | 38.9 | Very low | 95 Ų | 95 | 120.9 Ų | 120.9 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | cis | -155.9 | 164.8 | -5.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 644 | P | 44.4 | Very low | 38.6 | Very low | 135 Ų | 135 | 125.2 Ų | 125.2 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | -107.3 | 167.5 | -170.2 | 40.2 | -35.1 | 0 | 0 | 0 | 115.8 | ||||
| 645 | G | 42.2 | Very low | 38.7 | Very low | 75 Ų | 75 | 128 Ų | 128 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | 146.6 | 166.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 646 | N | 40.9 | Very low | 38.4 | Very low | 153 Ų | 153 | 125.5 Ų | 125.5 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | cis | -164.5 | 152.8 | -30.5 | -168.9 | 9.7 | 0 | 0 | 0 | 108.5 | ||||
| 647 | S | 40 | Very low | 38.3 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | 62.7 | 149.3 | 177 | 74.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 648 | G | 37.3 | Very low | 37.7 | Very low | 70 Ų | 70 | 127 Ų | 127 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | cis | 173.2 | -179.2 | -8.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 649 | A | 39.3 | Very low | 37.6 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | trans | 72.3 | 115.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 650 | A | 38.9 | Very low | 37 | Very low | 88 Ų | 88 | 124.5 Ų | 124.5 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | 88.6 | 101.8 | 125.6 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 651 | Q | 39.2 | Very low | 36.6 | Very low | 180 Ų | 180 | 121.2 Ų | 121.2 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | 78.8 | 154 | 133.5 | -59.2 | -59.7 | -36.5 | 0 | 0 | 119.6 | ||||
| 652 | P | 35.6 | Very low | 36.3 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 69% | 0.688 | 81% | 0.808 | S | S | * | * | trans | -112.6 | 159.7 | -155.8 | 41.3 | -34.4 | 0 | 0 | 0 | 115.4 | ||||
| 653 | L | 34.1 | Very low | 35.8 | Very low | 170 Ų | 170 | 128.7 Ų | 128.7 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -152.3 | 162.5 | 148.5 | -148.2 | 65.6 | 0 | 0 | 0 | 111.6 | ||||
| 654 | M | 30.4 | Very low | 35.3 | Very low | 181 Ų | 181 | 133.3 Ų | 133.3 | 89% | 0.892 | 81% | 0.812 | S | S | * | * | trans | -67.7 | 139.4 | -178.5 | -63.3 | 172.2 | 170.5 | 0 | 0 | 113.3 | ||||
| 655 | T | 36.6 | Very low | 34.5 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -144.5 | 133 | 147.6 | -13.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 656 | T | 31.6 | Very low | 34.1 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -79.1 | 133.7 | -177.7 | 49 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 657 | Q | 33.5 | Very low | 33.4 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -137.1 | 123.6 | 155.2 | -67.9 | -167.6 | 0.5 | 0 | 0 | 110.2 | ||||
| 658 | T | 30.6 | Very low | 32.7 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -83.9 | 166.3 | 162.2 | 49.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 659 | P | 33.7 | Very low | 32.2 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | -152.2 | 169 | 99.5 | 42 | -25.8 | 0 | 0 | 0 | 116.4 | |||||
| 660 | V | 33.4 | Very low | 31.5 | Very low | 118 Ų | 118 | 142 Ų | 142 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | trans | 54.4 | 96.9 | 164.4 | -149.4 | 0 | 0 | 0 | 0 | 118.7 | F662 | V660-F662 HydrophobicContact CG1-CD2 4.09Å; V660-F662 HydrophobicContact CG1-CE2 3.85Å | ||
| 661 | G | 28.3 | Very low | 30.9 | Very low | 69 Ų | 69 | 148.2 Ų | 148.2 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -102.6 | 134.5 | 154.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 662 | F | 31.3 | Very low | 30.3 | Very low | 193 Ų | 193 | 145 Ų | 145 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -94.5 | 92.6 | 172.6 | -86.4 | -84.1 | 0 | 0 | 0 | 111 | V660 | V660-F662 HydrophobicContact CG1-CD2 4.09Å; V660-F662 HydrophobicContact CG1-CE2 3.85Å | ||
| 663 | T | 29.7 | Very low | 30.2 | Very low | 130 Ų | 130 | 143 Ų | 143 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | trans | -91.4 | 105.9 | 172.4 | 54.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 664 | Q | 30.5 | Very low | 30.2 | Very low | 191 Ų | 191 | 141 Ų | 141 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 121.1 | 166.1 | -70 | -161.8 | 37.2 | 0 | 0 | 110.3 | ||
| 665 | S | 27.2 | Very low | 30.3 | Very low | 98 Ų | 98 | 140 Ų | 140 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 135.3 | 177.8 | -47.5 | 0 | 0 | 0 | 0 | 111.4 | Y667 | S665-Y667 PolarHBondContact O-N 3.11Š|
| 666 | P | 33.3 | Very low | 30.3 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 129.2 | 170.5 | 28.1 | -33.2 | 0 | 0 | 0 | 110.5 | L668 | P666-L668 PolarHBondContact O-N 3.32Š|
| 667 | Y | 27.8 | Very low | 30.3 | Very low | 222 Ų | 222 | 137.9 Ų | 137.9 | 87% | 0.871 | 78% | 0.782 | S | S | * | * | trans | -74.6 | 114.6 | 176 | -86.2 | -92.5 | 0 | 0 | 0 | 111 | S665 V669 | S665-Y667 PolarHBondContact O-N 3.11Å; Y667-V669 PolarHBondContact O-N 3.14Å | ||
| 668 | L | 23.8 | Very low | 30.3 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -85.7 | 100 | 175.5 | -159.4 | 168.6 | 0 | 0 | 0 | 109.8 | P666 Q670 | P666-L668 PolarHBondContact O-N 3.32Å; L668-Q670 HydrophobicContact CD2-CB 3.94Å; L668-Q670 PolarHBondContact O-N 3.03Å | ||
| 669 | V | 27 | Very low | 30.5 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 63% | 0.63 | 78% | 0.781 | S | S | * | * | trans | -95.7 | 91.4 | 179.3 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | Y667 Y671 | Y667-V669 PolarHBondContact O-N 3.14Å; V669-Y671 HydrophobicContact CG1-CD2 3.73Å; V669-Y671 HydrophobicContact CG1-CE2 3.44Å; V669-Y671 VanDerWaalsContact CG1-CE2 3.44Å; V669-Y671 PolarHBondContact O-N 2.94Å | ||
| 670 | Q | 24.1 | Very low | 30.4 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 65% | 0.654 | 79% | 0.786 | S | S | * | * | trans | -86.8 | 102.9 | -180 | -179.7 | -179.4 | -24.4 | 0 | 0 | 111.7 | L668 T672 | L668-Q670 HydrophobicContact CD2-CB 3.94Å; L668-Q670 PolarHBondContact O-N 3.03Å; Q670-T672 HydrophobicContact CG-CG2 3.93Å; Q670-T672 PolarHBondContact NE2-OG1 2.92Å | ||
| 671 | Y | 26.9 | Very low | 30.4 | Very low | 218 Ų | 218 | 134.2 Ų | 134.2 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -96.4 | 82.2 | 169.4 | -81 | -69 | 0 | 0 | 0 | 112 | V669 | V669-Y671 HydrophobicContact CG1-CD2 3.73Å; V669-Y671 HydrophobicContact CG1-CE2 3.44Å; V669-Y671 VanDerWaalsContact CG1-CE2 3.44Å; V669-Y671 PolarHBondContact O-N 2.94Å | ||
| 672 | T | 27.3 | Very low | 30.6 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | trans | -96.5 | 95.3 | 168.7 | 47.3 | 0 | 0 | 0 | 0 | 110.7 | Q670 | Q670-T672 HydrophobicContact CG-CG2 3.93Å; Q670-T672 PolarHBondContact NE2-OG1 2.92Å | ||
| 673 | G | 33.6 | Very low | 30.8 | Very low | 64 Ų | 64 | 135.9 Ų | 135.9 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | trans | -107.1 | 128.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 674 | P | 33.6 | Very low | 30.7 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -81.5 | 137 | -176.5 | 31.7 | -34.1 | 0 | 0 | 0 | 112.5 | ||||
| 675 | I | 33.2 | Very low | 31 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | trans | -96.3 | 115.3 | 168.2 | -58.6 | 176.2 | 0 | 0 | 0 | 108.2 | ||||
| 676 | P | 36 | Very low | 31.4 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | trans | -74.8 | 135.8 | 171.1 | 30.8 | -32.8 | 0 | 0 | 0 | 110.2 | ||||
| 677 | A | 32 | Very low | 31.7 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | -94.6 | 146.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 678 | G | 32 | Very low | 32 | Very low | 83 Ų | 83 | 131.7 Ų | 131.7 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | 111.4 | 88.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 679 | A | 35 | Very low | 32.2 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -149.3 | 135.5 | 144.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 680 | Q | 33 | Very low | 32.6 | Very low | 185 Ų | 185 | 136.6 Ų | 136.6 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -99.4 | 152.5 | -175.9 | -64 | 172.3 | -71.7 | 0 | 0 | 111.4 | ||||
| 681 | S | 32.2 | Very low | 32.9 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | 56 | 123.6 | 163.6 | 58.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 682 | S | 34.1 | Very low | 33 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | -176.1 | 166 | 60.1 | 46.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 683 | M | 34.1 | Very low | 33.1 | Very low | 188 Ų | 188 | 128.8 Ų | 128.8 | 93% | 0.926 | 81% | 0.811 | S | S | * | * | trans | 33.9 | 92.1 | 156.1 | -65 | -172.9 | 176 | 0 | 0 | 120 | ||||
| 684 | G | 28.7 | Very low | 32.9 | Very low | 81 Ų | 81 | 135.6 Ų | 135.6 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | 50.1 | 102.8 | 123.6 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 685 | S | 37.2 | Very low | 32.8 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -161.2 | 140.3 | 139.1 | 41.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 686 | N | 33.6 | Very low | 32.6 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 92% | 0.92 | 81% | 0.814 | S | S | * | * | trans | -90.3 | 129.5 | 174.1 | -84.2 | -8.8 | 0 | 0 | 0 | 110.4 | ||||
| 687 | P | 39.5 | Very low | 32.3 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | trans | -104.8 | 114.4 | 166.6 | -0.1 | 22.2 | 0 | 0 | 0 | 113 | ||||
| 688 | F | 34.3 | Very low | 32.5 | Very low | 206 Ų | 206 | 136.7 Ų | 136.7 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | trans | 70.4 | 118.4 | 147.9 | -62.4 | -74.3 | 0 | 0 | 0 | 123.2 | ||||
| 689 | F | 29.6 | Very low | 32.7 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | trans | -72 | 148.8 | 155.8 | -88.3 | -117.5 | 0 | 0 | 0 | 112 | ||||
| 690 | L | 34.3 | Very low | 32.5 | Very low | 185 Ų | 185 | 145.4 Ų | 145.4 | 97% | 0.969 | 79% | 0.793 | S | S | * | * | trans | -160.5 | 112.9 | 149.6 | -110.2 | 158.9 | 0 | 0 | 0 | 108.7 | ||||
| 691 | G | 31.9 | Very low | 32.5 | Very low | 63 Ų | 63 | 143.2 Ų | 143.2 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | cis | -161.8 | 159.6 | -6.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A693 | G691-A693 PolarHBondContact O-N 2.84Š| ||
| 692 | Q | 29 | Very low | 32.6 | Very low | 147 Ų | 147 | 145 Ų | 145 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | trans | -78.1 | 103.2 | 174.3 | -73.8 | -171.4 | -15.4 | 0 | 0 | 110.8 | R694 | Q692-R694 VanDerWaalsContact C-N 3.35Å; Q692-R694 PolarHBondContact O-N 3.22Å | ||
| 693 | A | 28.8 | Very low | 32.9 | Very low | 96 Ų | 96 | 145.5 Ų | 145.5 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | -75.4 | 86.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | G691 V695 | G691-A693 PolarHBondContact O-N 2.84Å; A693-V695 PolarHBondContact O-N 2.97Å | ||
| 694 | R | 29.5 | Very low | 33.1 | Very low | 206 Ų | 206 | 145.3 Ų | 145.3 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | trans | -66.6 | 105.9 | 169.5 | -74.5 | -171.8 | 177.9 | -161 | -1.4 | 109.2 | Q692 L696 | Q692-R694 VanDerWaalsContact C-N 3.35Å; Q692-R694 PolarHBondContact O-N 3.22Å; R694-L696 PolarHBondContact O-N 2.78Å | ||
| 695 | V | 30.3 | Very low | 33.4 | Very low | 130 Ų | 130 | 147.9 Ų | 147.9 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | trans | -66.7 | 100.8 | 166 | -179.8 | 0 | 0 | 0 | 0 | 107.8 | A693 H697 | A693-V695 PolarHBondContact O-N 2.97Å; V695-H697 PolarHBondContact O-N 3.03Å | ||
| 696 | L | 29.5 | Very low | 33.2 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -72.7 | 110.7 | 170.4 | -76.3 | 168.2 | 0 | 0 | 0 | 108.2 | R694 | R694-L696 PolarHBondContact O-N 2.78Š| ||
| 697 | H | 30.7 | Very low | 33.5 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -55.5 | 137.6 | 170.7 | -88.5 | -105.3 | 0 | 0 | 0 | 110.6 | V695 Q699 | V695-H697 PolarHBondContact O-N 3.03Å; H697-Q699 PolarHBondContact O-N 2.79Å; H697-Q699 VanDerWaalsContact O-N 3.17Å | ||
| 698 | P | 34.9 | Very low | 33.4 | Very low | 97 Ų | 97 | 145.4 Ų | 145.4 | 63% | 0.63 | 79% | 0.791 | S | S | * | * | trans | -61.7 | 117.5 | 157.3 | 27.7 | -31.6 | 0 | 0 | 0 | 108.2 | Y700 | P698-Y700 HydrophobicContact CG-CE2 4.22Å; P698-Y700 PolarHBondContact O-N 2.91Å | ||
| 699 | Q | 35.8 | Very low | 33.2 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -68.2 | 96.6 | 173.4 | -82.7 | -91.6 | -27.4 | 0 | 0 | 109.2 | H697 I701 | H697-Q699 PolarHBondContact O-N 2.79Å; H697-Q699 VanDerWaalsContact O-N 3.17Å; Q699-I701 VanDerWaalsContact C-N 3.26Å; Q699-I701 HydrophobicContact CB-CG1 4.41Å; Q699-I701 PolarHBondContact O-N 3.49Å | ||
| 700 | Y | 31.7 | Very low | 33.3 | Very low | 204 Ų | 204 | 136.3 Ų | 136.3 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -71.7 | 86.4 | 164 | -81.9 | -85.6 | 0 | 0 | 0 | 109.1 | P698 L702 | P698-Y700 HydrophobicContact CG-CE2 4.22Å; P698-Y700 PolarHBondContact O-N 2.91Å; Y700-L702 PolarHBondContact O-N 3.12Å | ||
| 701 | I | 32.3 | Very low | 33.6 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -70.5 | 109.2 | 169.8 | -61.1 | 175.7 | 0 | 0 | 0 | 107.5 | Q699 P703 | Q699-I701 VanDerWaalsContact C-N 3.26Å; Q699-I701 HydrophobicContact CB-CG1 4.41Å; Q699-I701 PolarHBondContact O-N 3.49Å; I701-P703 WeakPolarHBondContact O-CD 3.45Å | ||
| 702 | L | 36 | Very low | 33.5 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 128.8 | 164.7 | -84.6 | 76.8 | 0 | 0 | 0 | 108.8 | Y700 | Y700-L702 PolarHBondContact O-N 3.12Š|
| 703 | P | 38.9 | Very low | 33.8 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 118.9 | 163.4 | 31.1 | -29.8 | 0 | 0 | 0 | 109.4 | I701 | I701-P703 WeakPolarHBondContact O-CD 3.45Š|
| 704 | E | 39.5 | Very low | 33.8 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66 | 139.4 | 167.8 | -85.8 | -159.1 | 138.6 | 0 | 0 | 111 | G706 | E704-G706 PolarHBondContact O-N 3.28Å; E704-G706 VanDerWaalsContact O-N 3.12Å |
| 705 | P | 33.5 | Very low | 33.9 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -83.1 | 86.4 | -179.1 | 33.3 | -35 | 0 | 0 | 0 | 111.9 | ||
| 706 | G | 34.7 | Very low | 33.8 | Very low | 78 Ų | 78 | 137.5 Ų | 137.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 162.4 | 65.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | E704 | E704-G706 PolarHBondContact O-N 3.28Å; E704-G706 VanDerWaalsContact O-N 3.12Å | ||
| 707 | A | 39 | Very low | 33.8 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | trans | -144.7 | 153.8 | 159 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 708 | N | 37.7 | Very low | 33.9 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -116.9 | 142.1 | -165.3 | -165.1 | -0.4 | 0 | 0 | 0 | 113 | ||||
| 709 | C | 29.7 | Very low | 33.5 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | 64.7 | 156.7 | 166.5 | 89.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 710 | G | 31.2 | Very low | 33.4 | Very low | 63 Ų | 63 | 138.5 Ų | 138.5 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | trans | 120.8 | 78 | 152.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 711 | T | 40.2 | Very low | 33.6 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | 39.1 | 119.8 | 146.1 | 48 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 712 | M | 30.4 | Very low | 33.4 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 89% | 0.892 | 82% | 0.822 | S | S | * | * | trans | -63 | 160.1 | 164.1 | -66.5 | -174.4 | 175.1 | 0 | 0 | 113.5 | ||||
| 713 | P | 35.2 | Very low | 33.2 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | -128.4 | 163.3 | 113.9 | 37.9 | -33.1 | 0 | 0 | 0 | 113.8 | |||||
| 714 | Q | 28.7 | Very low | 32.7 | Very low | 180 Ų | 180 | 145.3 Ų | 145.3 | 84% | 0.841 | 83% | 0.83 | S | S | * | * | trans | -72 | 148.7 | 175.7 | -63.4 | 177.5 | -8.9 | 0 | 0 | 112.3 | ||||
| 715 | S | 32.6 | Very low | 32.4 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | -134.3 | 118.7 | 159.6 | 51 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 716 | V | 27.8 | Very low | 32.5 | Very low | 123 Ų | 123 | 139 Ų | 139 | 75% | 0.745 | 81% | 0.813 | S | S | * | * | trans | -87.4 | 126.7 | 179.1 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 717 | Y | 30.2 | Very low | 32.4 | Very low | 222 Ų | 222 | 140.5 Ų | 140.5 | 87% | 0.871 | 81% | 0.809 | S | S | * | * | trans | -132.3 | 143.7 | 163.4 | -82.1 | -75.6 | 0 | 0 | 0 | 111.6 | ||||
| 718 | A | 32.1 | Very low | 32.1 | Very low | 89 Ų | 89 | 146.5 Ų | 146.5 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -111 | 158.3 | -160.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 719 | L | 26.8 | Very low | 32 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -64 | 132.3 | 171.5 | -68.8 | 162.8 | 0 | 0 | 0 | 111.7 | ||
| 720 | P | 34.2 | Very low | 32.3 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 142.3 | 152.9 | -12.5 | 29.2 | 0 | 0 | 0 | 109.8 | ||
| 721 | Q | 35.9 | Very low | 32.3 | Very low | 185 Ų | 185 | 146.6 Ų | 146.6 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 151.3 | -178.6 | -67.3 | -175.1 | -20.7 | 0 | 0 | 112.7 | L723 | Q721-L723 PolarHBondContact O-N 2.83Š|
| 722 | F | 27.2 | Very low | 32.6 | Very low | 218 Ų | 218 | 146.6 Ų | 146.6 | 96% | 0.956 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 128.8 | 165.6 | -74.7 | -92.5 | 0 | 0 | 0 | 110.3 | ||
| 723 | L | 31.4 | Very low | 32.9 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -111 | 116.4 | 175.7 | -138.5 | 165.7 | 0 | 0 | 0 | 109.5 | Q721 V725 | Q721-L723 PolarHBondContact O-N 2.83Å; L723-V725 HydrophobicContact CD2-CG2 4.2Å | ||
| 724 | H | 28.4 | Very low | 32.8 | Very low | 194 Ų | 194 | 141.3 Ų | 141.3 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | -85.6 | 120.3 | -171.7 | -148.5 | 87.3 | 0 | 0 | 0 | 110.1 | ||||
| 725 | V | 33.4 | Very low | 33.1 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 76% | 0.758 | 81% | 0.808 | S | S | * | * | trans | -138.1 | 124.9 | -179.9 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | L723 | L723-V725 HydrophobicContact CD2-CG2 4.2Š| ||
| 726 | G | 35.2 | Very low | 33.1 | Very low | 61 Ų | 61 | 143.7 Ų | 143.7 | 63% | 0.629 | 81% | 0.811 | S | S | * | * | trans | -88.3 | 172.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 727 | P | 32.9 | Very low | 33.3 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 71% | 0.714 | 81% | 0.813 | S | S | * | * | trans | -89.1 | 165.3 | -166.8 | 34.9 | -36.9 | 0 | 0 | 0 | 115.7 | ||||
| 728 | Y | 33.8 | Very low | 33.5 | Very low | 234 Ų | 234 | 141 Ų | 141 | 92% | 0.918 | 81% | 0.806 | S | S | * | * | trans | 78.8 | 126.9 | 170.3 | -58.3 | -76.6 | 0 | 0 | 0 | 118.8 | ||||
| 729 | G | 34.1 | Very low | 33.7 | Very low | 76 Ų | 76 | 144 Ų | 144 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | 145 | 76 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | P731 | G729-P731 WeakPolarHBondContact O-CD 3.32Š| ||
| 730 | T | 36 | Very low | 34.3 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -84.3 | 130.6 | 174.7 | 47.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 731 | P | 32.6 | Very low | 34.3 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | -116 | 142.9 | 158.4 | 36.3 | -26.9 | 0 | 0 | 0 | 113 | G729 | G729-P731 WeakPolarHBondContact O-CD 3.32Š| ||
| 732 | T | 45.2 | Very low | 34.5 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | trans | -74.6 | 145.4 | 179.5 | -43.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 733 | P | 36.6 | Very low | 34.9 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | trans | -91.8 | 141.9 | 179 | 34.4 | -34.6 | 0 | 0 | 0 | 114.9 | ||||
| 734 | G | 33 | Very low | 35.2 | Very low | 70 Ų | 70 | 127.7 Ų | 127.7 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | 112.7 | 148.1 | 145.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 735 | M | 35.6 | Very low | 36.1 | Very low | 168 Ų | 168 | 123.1 Ų | 123.1 | 83% | 0.828 | 74% | 0.737 | S | S | * | * | trans | 71 | 102.5 | 175 | -47.1 | -55.9 | -175.2 | 0 | 0 | 115.6 | ||||
| 736 | Q | 32.7 | Very low | 36.2 | Very low | 166 Ų | 166 | 122.3 Ų | 122.3 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | 59.4 | 123.4 | 81.2 | -63.7 | -174.3 | 3.8 | 0 | 0 | 112.5 | |||||
| 737 | Q | 32.5 | Very low | 36.6 | Very low | 169 Ų | 169 | 127.6 Ų | 127.6 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | cis | -157 | 157.6 | 43.5 | -68.1 | 179.9 | 3.2 | 0 | 0 | 114.8 | ||||
| 738 | V | 34 | Very low | 37.5 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 44.9 | 100.2 | 142 | -179.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 739 | I | 36.2 | Very low | 38.6 | Very low | 152 Ų | 152 | 121.8 Ų | 121.8 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | 59.1 | 128.2 | 79.5 | -63.5 | 176.3 | 0 | 0 | 0 | 115 | |||||
| 740 | P | 39.4 | Very low | 39.5 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | cis | -146 | 175.5 | -22.4 | 41 | -21.3 | 0 | 0 | 0 | 117.5 | ||||
| 741 | G | 34.6 | Very low | 39.7 | Very low | 67 Ų | 67 | 120 Ų | 120 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | trans | 106 | 154.7 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 742 | M | 39.3 | Very low | 40.1 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 54% | 0.537 | 73% | 0.729 | S | S | . | * | cis | -171.5 | 178.1 | -13.3 | -117.8 | 163.4 | 73.7 | 0 | 0 | 108.5 | T777 G778 T779 | M742-T777 WeakPolarHBondContact CB-O 3.47Å; M742-T777 WeakPolarHBondContact CG-O 3.25Å; M742-G778 CarbonylContact C-O 2.96Å; M742-G778 VanDerWaalsContact CA-O 3.24Å; M742-G778 WeakPolarHBondContact CA-O 3.35Å; M742-G778 WeakPolarHBondContact CB-O 3.34Å; M742-G778 PolarHBondContact N-O 3.19Å; M742-T779 VanDerWaalsContact O-CA 3.25Å; M742-T779 WeakPolarHBondContact O-CA 3.24Å | ||
| 743 | Q | 36.7 | Very low | 39.8 | Very low | 79 Ų | 79 | 122.1 Ų | 122.1 | 37% | 0.369 | 72% | 0.718 | S | S | . | * | trans | 44.3 | 151.1 | -177.1 | -101.6 | 165 | 25.8 | 0 | 0 | 120.5 | T777 G778 T779 | Q743-T777 VanDerWaalsContact CG-C 3.41Å; Q743-T777 PolarHBondContact N-O 3.11Å; Q743-T777 PolarHBondContact NE2-OG1 3.25Å; Q743-G778 VanDerWaalsContact CB-N 3.28Å; Q743-T779 HydrophobicContact CB-CG2 3.86Å; Q743-T779 PolarHBondContact OE1-OG1 3.15Å | ||
| 744 | N | 36.3 | Very low | 40 | Very low | 132 Ų | 132 | 123.3 Ų | 123.3 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | cis | 91.8 | 160.7 | 4.3 | -124.6 | 20.5 | 0 | 0 | 0 | 118 | ||||
| 745 | P | 48.1 | Very low | 40.5 | Very low | 99 Ų | 99 | 124.5 Ų | 124.5 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | -138.9 | -170.5 | -102.5 | 46.2 | -28.2 | 0 | 0 | 0 | 116.7 | |||||
| 746 | S | 36.7 | Very low | 40.7 | Very low | 108 Ų | 108 | 120.1 Ų | 120.1 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | trans | -171.8 | 169.5 | 171.9 | -79.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 747 | H | 43.1 | Very low | 41 | Very low | 171 Ų | 171 | 115.8 Ų | 115.8 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | cis | -163.4 | 165.9 | -39.1 | -100.1 | -46.1 | 0 | 0 | 0 | 109 | ||||
| 748 | P | 52 | Low | 41.5 | Very low | 112 Ų | 112 | 114.9 Ų | 114.9 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | -119 | -103.9 | -141.2 | 24.6 | 1 | 0 | 0 | 0 | 120.3 | ||||
| 749 | P | 55.3 | Low | 41.7 | Very low | 110 Ų | 110 | 117.3 Ų | 117.3 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | -137.5 | 159.2 | -126.5 | 42.9 | -23.8 | 0 | 0 | 0 | 119.6 | |||||
| 750 | P | 53.1 | Low | 42.3 | Very low | 126 Ų | 126 | 114.6 Ų | 114.6 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -126.9 | 170.3 | 141.9 | 37.1 | -26 | 0 | 0 | 0 | 112.1 | ||||
| 751 | G | 40.3 | Very low | 42.5 | Very low | 59 Ų | 59 | 115.3 Ų | 115.3 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | cis | 165.7 | 176.8 | -6.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 752 | Y | 41.8 | Very low | 42.7 | Very low | 232 Ų | 232 | 117.1 Ų | 117.1 | 91% | 0.91 | 72% | 0.716 | S | S | * | * | trans | 69.6 | 143.1 | 171.3 | -54.4 | -85.8 | 0 | 0 | 0 | 119.1 | ||||
| 753 | A | 38.8 | Very low | 42.7 | Very low | 77 Ų | 77 | 119.5 Ų | 119.5 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | cis | -171 | 152.7 | -20.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 754 | V | 40.9 | Very low | 42.8 | Very low | 147 Ų | 147 | 123 Ų | 123 | 89% | 0.891 | 75% | 0.747 | S | S | * | * | trans | 64.3 | 142.8 | 147.7 | 163.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 755 | A | 42.5 | Very low | 43.6 | Very low | 95 Ų | 95 | 121.7 Ų | 121.7 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | cis | -169.5 | 168 | -24.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 756 | G | 40.5 | Very low | 43.4 | Very low | 75 Ų | 75 | 121.6 Ų | 121.6 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | cis | 163.8 | 162.7 | -6.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 757 | G | 39.1 | Very low | 43.5 | Very low | 76 Ų | 76 | 124 Ų | 124 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | trans | 84.3 | 152.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 758 | V | 42.3 | Very low | 43.4 | Very low | 149 Ų | 149 | 120 Ų | 120 | 90% | 0.903 | 75% | 0.754 | S | S | * | * | cis | -142.8 | 151.6 | -4.4 | -177.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 759 | E | 38.6 | Very low | 42.9 | Very low | 172 Ų | 172 | 118 Ų | 118 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -76.2 | -166.4 | 177.3 | -109.9 | -170.3 | 159.3 | 0 | 0 | 113.5 | ||||
| 760 | P | 48.7 | Very low | 42.2 | Very low | 95 Ų | 95 | 119.9 Ų | 119.9 | 62% | 0.617 | 76% | 0.757 | S | S | * | * | cis | -141.2 | 175.7 | 8.6 | 42.8 | -24.4 | 0 | 0 | 0 | 118.7 | ||||
| 761 | N | 43 | Very low | 41.4 | Very low | 131 Ų | 131 | 119 Ų | 119 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | 67.9 | 151.6 | 139.9 | -80.9 | -22.7 | 0 | 0 | 0 | 122 | ||||
| 762 | N | 39.2 | Very low | 41.2 | Very low | 106 Ų | 106 | 120 Ų | 120 | 57% | 0.567 | 76% | 0.757 | S | S | * | * | cis | -157.9 | 167.6 | -4.5 | -134 | -33.2 | 0 | 0 | 0 | 114.6 | ||||
| 763 | Q | 40.4 | Very low | 40.8 | Very low | 159 Ų | 159 | 115.6 Ų | 115.6 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | 55.4 | 106.9 | 152.1 | -71.6 | 148.6 | 22.5 | 0 | 0 | 119.7 | ||||
| 764 | N | 38.4 | Very low | 40.6 | Very low | 152 Ų | 152 | 115.2 Ų | 115.2 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | 65.6 | 151.2 | 52.7 | -145.5 | 27.7 | 0 | 0 | 0 | 113.6 | |||||
| 765 | P | 51.9 | Low | 40.1 | Very low | 105 Ų | 105 | 115.1 Ų | 115.1 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | cis | -139.4 | -175.1 | -0.6 | 34.5 | -11.2 | 0 | 0 | 0 | 118.4 | ||||
| 766 | A | 44 | Very low | 39.7 | Very low | 96 Ų | 96 | 113.5 Ų | 113.5 | 79% | 0.793 | 74% | 0.743 | S | S | * | * | trans | 80 | 151.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 767 | N | 39.7 | Very low | 39.2 | Very low | 160 Ų | 160 | 114.2 Ų | 114.2 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | cis | -139.9 | 168.5 | 11.4 | -160.7 | 8.1 | 0 | 0 | 0 | 114.2 | ||||
| 768 | A | 41.4 | Very low | 39 | Very low | 86 Ų | 86 | 112.2 Ų | 112.2 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | trans | -82.1 | -176.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 769 | G | 41 | Very low | 38.5 | Very low | 69 Ų | 69 | 108.5 Ų | 108.5 | 71% | 0.711 | 69% | 0.69 | S | S | * | * | cis | -170.3 | -165.5 | 6.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 770 | N | 40 | Very low | 38.2 | Very low | 150 Ų | 150 | 106.8 Ų | 106.8 | 80% | 0.802 | 69% | 0.686 | S | S | * | * | cis | -154.3 | 143.3 | 1.8 | -96.6 | -18.6 | 0 | 0 | 0 | 107.8 | ||||
| 771 | S | 37.2 | Very low | 37.4 | Very low | 109 Ų | 109 | 106.1 Ų | 106.1 | 76% | 0.762 | 68% | 0.684 | S | S | * | * | 69.4 | 143.6 | 88.8 | -139.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 772 | A | 35.8 | Very low | 36.9 | Very low | 79 Ų | 79 | 107.4 Ų | 107.4 | 65% | 0.653 | 69% | 0.69 | S | S | * | * | cis | -155.9 | 148.5 | 16 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 773 | V | 34.1 | Very low | 36.5 | Very low | 139 Ų | 139 | 106.1 Ų | 106.1 | 84% | 0.842 | 70% | 0.695 | S | S | * | * | 76.5 | 138.6 | 88 | 171 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 774 | A | 33.6 | Very low | 36.2 | Very low | 70 Ų | 70 | 107.4 Ų | 107.4 | 58% | 0.579 | 70% | 0.701 | S | S | * | * | cis | -174.6 | 169.2 | -20.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 775 | T | 31.3 | Very low | 36 | Very low | 145 Ų | 145 | 106.4 Ų | 106.4 | 89% | 0.89 | 70% | 0.7 | S | S | * | * | trans | 49.3 | 138.1 | 144.7 | 50.4 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 776 | G | 32.8 | Very low | 35.6 | Very low | 60 Ų | 60 | 107 Ų | 107 | 62% | 0.619 | 70% | 0.704 | S | S | * | * | trans | 165.7 | 138.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 777 | T | 31.6 | Very low | 35 | Very low | 90 Ų | 90 | 106.4 Ų | 106.4 | 55% | 0.552 | 70% | 0.699 | S | S | * | * | trans | -106.4 | -92 | -131.7 | 55.5 | 0 | 0 | 0 | 0 | 124.4 | M742 Q743 | M742-T777 WeakPolarHBondContact CB-O 3.47Å; M742-T777 WeakPolarHBondContact CG-O 3.25Å; Q743-T777 VanDerWaalsContact CG-C 3.41Å; Q743-T777 PolarHBondContact N-O 3.11Å; Q743-T777 PolarHBondContact NE2-OG1 3.25Å | ||
| 778 | G | 33.1 | Very low | 34.6 | Very low | 34 Ų | 34 | 108.3 Ų | 108.3 | 35% | 0.351 | 70% | 0.7 | S | S | . | * | cis | -177 | 123.5 | 7.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | M742 Q743 | M742-G778 CarbonylContact C-O 2.96Å; M742-G778 VanDerWaalsContact CA-O 3.24Å; M742-G778 WeakPolarHBondContact CA-O 3.35Å; M742-G778 WeakPolarHBondContact CB-O 3.34Å; M742-G778 PolarHBondContact N-O 3.19Å; Q743-G778 VanDerWaalsContact CB-N 3.28Å | ||
| 779 | T | 33.5 | Very low | 34.3 | Very low | 71 Ų | 71 | 108.2 Ų | 108.2 | 44% | 0.436 | 70% | 0.699 | S | S | . | * | trans | -86.2 | 167 | -145.3 | -2.6 | 0 | 0 | 0 | 0 | 123 | M742 Q743 | M742-T779 VanDerWaalsContact O-CA 3.25Å; M742-T779 WeakPolarHBondContact O-CA 3.24Å; Q743-T779 HydrophobicContact CB-CG2 3.86Å; Q743-T779 PolarHBondContact OE1-OG1 3.15Å | ||
| 780 | N | 32.1 | Very low | 33.9 | Very low | 136 Ų | 136 | 113.9 Ų | 113.9 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | trans | 73.7 | 167.2 | 142.5 | -79.4 | -26.4 | 0 | 0 | 0 | 121.5 | ||||
| 781 | S | 32.4 | Very low | 33.7 | Very low | 82 Ų | 82 | 110.9 Ų | 110.9 | 57% | 0.573 | 70% | 0.703 | S | S | * | * | cis | -174.7 | 168.1 | -30.8 | 63.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 782 | N | 30.8 | Very low | 33.8 | Very low | 157 Ų | 157 | 111.4 Ų | 111.4 | 84% | 0.84 | 70% | 0.704 | S | S | * | * | trans | 65.1 | 159.1 | 157.8 | -75.8 | -11.9 | 0 | 0 | 0 | 120.1 | ||||
| 783 | A | 32.3 | Very low | 33.7 | Very low | 79 Ų | 79 | 111.5 Ų | 111.5 | 65% | 0.653 | 71% | 0.705 | S | S | * | * | cis | -169.5 | -171 | -21.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 784 | Q | 33.2 | Very low | 33.6 | Very low | 186 Ų | 186 | 111.7 Ų | 111.7 | 87% | 0.869 | 71% | 0.706 | S | S | * | * | trans | 87.4 | 90.3 | 158.8 | -66 | 178.9 | -40.5 | 0 | 0 | 121.1 | ||||
| 785 | T | 34.4 | Very low | 33.8 | Very low | 131 Ų | 131 | 113.5 Ų | 113.5 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | -49.5 | -177.8 | 132.6 | 38.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 786 | P | 43.9 | Very low | 33.9 | Very low | 119 Ų | 119 | 111.1 Ų | 111.1 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | cis | -133.3 | -168 | -7.2 | 27.2 | -2.5 | 0 | 0 | 0 | 114.1 | ||||
| 787 | A | 31.4 | Very low | 34.3 | Very low | 82 Ų | 82 | 114.6 Ų | 114.6 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | 144.2 | 114.3 | 110.9 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 788 | F | 30.4 | Very low | 34.6 | Very low | 201 Ų | 201 | 114 Ų | 114 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | trans | 78.3 | 146.5 | 131.7 | -91.5 | -93.8 | 0 | 0 | 0 | 126.1 | ||||
| 789 | A | 36.3 | Very low | 34.4 | Very low | 84 Ų | 84 | 116.5 Ų | 116.5 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | trans | 73.9 | 147.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 790 | Q | 31.3 | Very low | 34.5 | Very low | 187 Ų | 187 | 124.2 Ų | 124.2 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | cis | -163.5 | 154.1 | -37.1 | -147.8 | 160.2 | -15.3 | 0 | 0 | 109.4 | ||||
| 791 | A | 35.8 | Very low | 34.8 | Very low | 87 Ų | 87 | 123.5 Ų | 123.5 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | trans | -89.4 | 172.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 792 | P | 39.9 | Very low | 34.5 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | -159.3 | -171.6 | 84.2 | 43.6 | -23.4 | 0 | 0 | 0 | 117.4 | |||||
| 793 | A | 34.2 | Very low | 34.6 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | trans | 67.6 | 119.6 | 150.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 794 | T | 32.5 | Very low | 34.5 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | cis | 102.9 | 115.6 | 28.7 | 60.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 795 | A | 37 | Very low | 34.1 | Very low | 108 Ų | 108 | 122 Ų | 122 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -157.5 | 141.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 796 | A | 33.3 | Very low | 34.1 | Very low | 96 Ų | 96 | 122.3 Ų | 122.3 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | -165.3 | -172 | 173.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 797 | P | 41.5 | Very low | 33.3 | Very low | 133 Ų | 133 | 121.7 Ų | 121.7 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | cis | -127.3 | -164.5 | -15.4 | 41.6 | -25.3 | 0 | 0 | 0 | 111.8 | ||||
| 798 | G | 37.8 | Very low | 33.3 | Very low | 76 Ų | 76 | 124.9 Ų | 124.9 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | -172.2 | 120 | 163.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 799 | A | 29.6 | Very low | 33.3 | Very low | 87 Ų | 87 | 123.2 Ų | 123.2 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | trans | -154.1 | 141.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 800 | Y | 35.6 | Very low | 33.2 | Very low | 234 Ų | 234 | 124.4 Ų | 124.4 | 92% | 0.918 | 80% | 0.803 | S | S | * | * | trans | -148.7 | 161.2 | 172.6 | -81.4 | -59 | 0 | 0 | 0 | 110.2 | ||||
| 801 | P | 36.8 | Very low | 32.9 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | -116.3 | -179.6 | -122.5 | 42.7 | -38.6 | 0 | 0 | 0 | 117.6 | |||||
| 802 | L | 26.7 | Very low | 32.4 | Very low | 172 Ų | 172 | 127.8 Ų | 127.8 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | trans | -48.8 | 148 | 172.2 | -103.5 | 65.4 | 0 | 0 | 0 | 115.6 | ||||
| 803 | A | 32.1 | Very low | 31.8 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -140.4 | 157.2 | 154 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 804 | A | 30.7 | Very low | 31.5 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -85.9 | 133.7 | -154 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 805 | A | 26.1 | Very low | 31.5 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | 27.5 | 119.9 | 138.2 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 806 | V | 33 | Very low | 31.3 | Very low | 137 Ų | 137 | 131 Ų | 131 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | trans | -138.7 | 134.9 | 141.2 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 807 | P | 28.2 | Very low | 31.1 | Very low | 107 Ų | 107 | 134 Ų | 134 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | trans | -80.8 | 167.4 | 177.9 | 32.7 | -35 | 0 | 0 | 0 | 113.5 | ||||
| 808 | N | 30.2 | Very low | 30.6 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 69.2 | 52.4 | 171.9 | -61.5 | -0.7 | 0 | 0 | 0 | 117.6 | ||
| 809 | Q | 31.3 | Very low | 30.1 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -141.6 | 134.3 | 153.8 | -73.6 | -63 | -68.2 | 0 | 0 | 110.6 | ||||
| 810 | P | 34.3 | Very low | 30.1 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 71% | 0.714 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 129.2 | 167.8 | 30.9 | -31.7 | 0 | 0 | 0 | 110.5 | ||
| 811 | L | 24.8 | Very low | 29.6 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 80% | 0.796 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 134.9 | 177.6 | -92.4 | 76.6 | 0 | 0 | 0 | 111.8 | L813 | L811-L813 HydrophobicContact CB-CD1 4.28Š|
| 812 | F | 25 | Very low | 29.3 | Very low | 193 Ų | 193 | 134.3 Ų | 134.3 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 132 | 161.9 | -74.3 | -99.5 | 0 | 0 | 0 | 110.2 | ||
| 813 | L | 26.6 | Very low | 29.5 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | -117.9 | 115.6 | 161.8 | -83.2 | 83.5 | 0 | 0 | 0 | 109.3 | L811 | L811-L813 HydrophobicContact CB-CD1 4.28Š| ||
| 814 | L | 27.7 | Very low | 29.4 | Very low | 163 Ų | 163 | 131.4 Ų | 131.4 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -99.8 | 140.3 | 162.4 | -72.4 | 108.2 | 0 | 0 | 0 | 109.8 | ||||
| 815 | P | 34.1 | Very low | 29.5 | Very low | 125 Ų | 125 | 132 Ų | 132 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -133.8 | 126.4 | 149.2 | 34.1 | -20.2 | 0 | 0 | 0 | 113.7 | ||||
| 816 | G | 32.3 | Very low | 29.7 | Very low | 79 Ų | 79 | 133.5 Ų | 133.5 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | 79.9 | 105.8 | 140.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 817 | N | 28.8 | Very low | 29.6 | Very low | 159 Ų | 159 | 133.7 Ų | 133.7 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -69.1 | 138.9 | 165.8 | -67 | -40.4 | 0 | 0 | 0 | 112.4 | ||||
| 818 | A | 31.4 | Very low | 29.5 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -150.3 | 102.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 819 | Y | 26 | Very low | 29.6 | Very low | 214 Ų | 214 | 136.2 Ų | 136.2 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | -81.3 | 136.4 | 170.6 | -86.1 | -109.9 | 0 | 0 | 0 | 110.6 | ||||
| 820 | V | 30.8 | Very low | 29.4 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 87% | 0.873 | 80% | 0.801 | S | S | * | * | -147.6 | 132.5 | 124 | 179.5 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 821 | A | 25.6 | Very low | 29.3 | Very low | 96 Ų | 96 | 135.5 Ų | 135.5 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | -93.2 | 138.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 822 | A | 29.9 | Very low | 29.5 | Very low | 100 Ų | 100 | 136 Ų | 136 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | -127.5 | 117.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 823 | A | 30.7 | Very low | 29.8 | Very low | 85 Ų | 85 | 133.6 Ų | 133.6 | 70% | 0.702 | 81% | 0.808 | S | S | * | * | trans | -76.9 | 153.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | T825 | A823-T825 PolarHBondContact O-N 3.16Š| ||
| 824 | P | 30.6 | Very low | 29.8 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | trans | -72.9 | 127.5 | -174.9 | 28.8 | -34.8 | 0 | 0 | 0 | 112.4 | ||||
| 825 | T | 32.5 | Very low | 30 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -123.8 | 113 | 171.2 | 47.1 | 0 | 0 | 0 | 0 | 110.7 | A823 I827 | A823-T825 PolarHBondContact O-N 3.16Å; T825-I827 PolarHBondContact O-N 2.92Å | ||
| 826 | P | 29.3 | Very low | 29.8 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -79.1 | 121.2 | 173.5 | 30.9 | -31.6 | 0 | 0 | 0 | 109.9 | ||||
| 827 | I | 30.9 | Very low | 29.7 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 73% | 0.728 | 79% | 0.794 | S | S | * | * | trans | -125 | 100 | 175.5 | -59.8 | -179.8 | 0 | 0 | 0 | 109.2 | T825 A829 | T825-I827 PolarHBondContact O-N 2.92Å; I827-A829 HydrophobicContact CG2-CB 4.43Å | ||
| 828 | Y | 26.5 | Very low | 29.9 | Very low | 225 Ų | 225 | 127.9 Ų | 127.9 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -76.4 | 126 | 160.6 | -101.8 | -91.7 | 0 | 0 | 0 | 109 | ||||
| 829 | A | 32.2 | Very low | 30.1 | Very low | 82 Ų | 82 | 129.6 Ų | 129.6 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | trans | -143.9 | 93.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I827 | I827-A829 HydrophobicContact CG2-CB 4.43Š| ||
| 830 | N | 26.8 | Very low | 30.6 | Very low | 149 Ų | 149 | 123.3 Ų | 123.3 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -73.6 | 132.4 | 165.2 | -84.5 | -26.7 | 0 | 0 | 0 | 109.6 | ||||
| 831 | S | 32.8 | Very low | 31.1 | Very low | 112 Ų | 112 | 122.5 Ų | 122.5 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -152.6 | 106.7 | 165.3 | -79.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 832 | N | 28.4 | Very low | 32 | Very low | 164 Ų | 164 | 124.1 Ų | 124.1 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -78.1 | 133.6 | 170 | -72.5 | -30.9 | 0 | 0 | 0 | 109.8 | ||||
| 833 | V | 31.8 | Very low | 32.5 | Very low | 141 Ų | 141 | 122.6 Ų | 122.6 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -134.5 | 134.6 | 159.3 | -178 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 834 | V | 27.6 | Very low | 33 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 74% | 0.739 | 79% | 0.788 | S | S | * | * | trans | -125.1 | 127 | -174 | 174 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 835 | C | 30.1 | Very low | 33.6 | Very low | 111 Ų | 111 | 125 Ų | 125 | 75% | 0.75 | 79% | 0.785 | S | S | * | * | trans | -146.2 | 118.9 | 157 | -77.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 836 | T | 30.4 | Very low | 34 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 71% | 0.712 | 79% | 0.789 | S | S | * | * | 58.9 | 134.1 | 72.7 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 837 | S | 29.7 | Very low | 34.5 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | cis | -178.2 | 139.3 | -10.2 | 46.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 838 | A | 34.1 | Very low | 34.7 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | 174.4 | 167.9 | 151.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 839 | T | 35.7 | Very low | 35.5 | Very low | 140 Ų | 140 | 124.2 Ų | 124.2 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | -161.3 | 149.8 | -65.3 | -82 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 840 | A | 35.7 | Very low | 35.9 | Very low | 83 Ų | 83 | 126.2 Ų | 126.2 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | trans | -84.2 | -177.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 841 | P | 42.1 | Very low | 36.4 | Very low | 126 Ų | 126 | 122.1 Ų | 122.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | -144.1 | 172 | 95.4 | 39.4 | -24.5 | 0 | 0 | 0 | 116.7 | |||||
| 842 | P | 43.1 | Very low | 36.7 | Very low | 131 Ų | 131 | 125.3 Ų | 125.3 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -128 | 172.9 | -169.5 | 43 | -28.9 | 0 | 0 | 0 | 117.7 | ||||
| 843 | G | 41.6 | Very low | 37.1 | Very low | 68 Ų | 68 | 120.7 Ų | 120.7 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | 157.6 | 154.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 844 | T | 40.2 | Very low | 37.1 | Very low | 145 Ų | 145 | 122.1 Ų | 122.1 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | cis | -160.5 | 156.7 | -6 | -9.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 845 | P | 44.7 | Very low | 37.4 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -125.9 | 159.2 | -165.3 | 41.7 | -29.3 | 0 | 0 | 0 | 118.6 | ||||
| 846 | T | 40.5 | Very low | 37.4 | Very low | 131 Ų | 131 | 126 Ų | 126 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -162.3 | 154.1 | 162.1 | 39.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 847 | Q | 38.8 | Very low | 37.5 | Very low | 186 Ų | 186 | 127.7 Ų | 127.7 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | cis | -150 | -176 | -12.9 | -125.7 | -179.1 | 48.9 | 0 | 0 | 111.5 | ||||
| 848 | Q | 35.1 | Very low | 37.4 | Very low | 178 Ų | 178 | 128.2 Ų | 128.2 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -98.6 | -167.7 | -162.6 | -121.5 | -178.6 | -37.2 | 0 | 0 | 113.5 | ||||
| 849 | P | 44.3 | Very low | 37.4 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | cis | -142.2 | -179.9 | -11.9 | 34.7 | -12.5 | 0 | 0 | 0 | 118.5 | ||||
| 850 | S | 39.4 | Very low | 37.1 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | 80.7 | 142 | 150.1 | 74 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 851 | G | 37.8 | Very low | 36.8 | Very low | 64 Ų | 64 | 131 Ų | 131 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | cis | -179.6 | 168.8 | -6.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 852 | N | 39.3 | Very low | 36.3 | Very low | 178 Ų | 178 | 130 Ų | 130 | 95% | 0.952 | 81% | 0.807 | S | S | * | * | trans | 70.6 | 126.9 | 172.9 | -51.3 | -19.1 | 0 | 0 | 0 | 118.1 | ||||
| 853 | G | 36.3 | Very low | 35.6 | Very low | 68 Ų | 68 | 128.3 Ų | 128.3 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | cis | 160 | 150.2 | -16.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 854 | L | 33.1 | Very low | 35 | Very low | 171 Ų | 171 | 129.5 Ų | 129.5 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | 71 | 139.8 | 155.2 | -66.6 | 158.1 | 0 | 0 | 0 | 117.8 | ||||
| 855 | I | 33.9 | Very low | 34.4 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | cis | -139 | 158 | -0.2 | -54.5 | -173.9 | 0 | 0 | 0 | 111.3 | ||||
| 856 | Q | 28.5 | Very low | 33.7 | Very low | 163 Ų | 163 | 137 Ų | 137 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -74.6 | 170.3 | 176.8 | -57.2 | 164.9 | -32 | 0 | 0 | 116.2 | ||||
| 857 | L | 32.7 | Very low | 33.3 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 80% | 0.801 | 82% | 0.815 | S | S | * | * | 167.8 | 89.2 | 128.1 | -88 | 167.1 | 0 | 0 | 0 | 109.4 | |||||
| 858 | T | 29.2 | Very low | 32.9 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | 60.1 | 116.2 | 94.7 | 63.3 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 859 | G | 32.8 | Very low | 32.8 | Very low | 82 Ų | 82 | 127.6 Ų | 127.6 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -177.2 | 125.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 860 | Q | 29.5 | Very low | 32.3 | Very low | 196 Ų | 196 | 126.7 Ų | 126.7 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | -113.1 | 178.3 | 179.7 | -68.7 | -177.7 | -71.9 | 0 | 0 | 111.5 | ||||
| 861 | A | 30.7 | Very low | 31.8 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | trans | 75.7 | 147 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 862 | A | 30.3 | Very low | 31.6 | Very low | 104 Ų | 104 | 131 Ų | 131 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | cis | -152.9 | -179.1 | -12.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 863 | A | 28.1 | Very low | 31.3 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -90.3 | 159.3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 864 | A | 28.8 | Very low | 31 | Very low | 93 Ų | 93 | 135.1 Ų | 135.1 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | trans | 66.9 | 133 | 150.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 865 | M | 29.5 | Very low | 30.8 | Very low | 195 Ų | 195 | 131.3 Ų | 131.3 | 96% | 0.961 | 82% | 0.823 | S | S | * | * | -153.7 | 165.9 | 125.6 | -88.4 | -104.6 | 176.7 | 0 | 0 | 108.5 | |||||
| 866 | Y | 29.6 | Very low | 30.9 | Very low | 225 Ų | 225 | 130 Ų | 130 | 88% | 0.882 | 82% | 0.824 | S | S | * | * | trans | -105.4 | 175.6 | -161.2 | -122.9 | -102.5 | 0 | 0 | 0 | 114.9 | ||||
| 867 | A | 31.2 | Very low | 31.3 | Very low | 92 Ų | 92 | 130 Ų | 130 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | trans | -85.8 | 155.4 | -169 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 868 | A | 31.6 | Very low | 31.4 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | -168.8 | 152.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 869 | A | 32.8 | Very low | 31.7 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | cis | -167.1 | 164.2 | -21.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 870 | G | 32.4 | Very low | 32 | Very low | 79 Ų | 79 | 124.4 Ų | 124.4 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | trans | 151.7 | 141.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 871 | Q | 29.9 | Very low | 32.4 | Very low | 200 Ų | 200 | 116 Ų | 116 | 94% | 0.935 | 75% | 0.745 | S | S | * | * | trans | -111.7 | 144.8 | -179.7 | -66.6 | 177.3 | -33.8 | 0 | 0 | 112.1 | ||||
| 872 | A | 32.8 | Very low | 32.8 | Very low | 78 Ų | 78 | 113.3 Ų | 113.3 | 65% | 0.645 | 72% | 0.715 | S | S | * | * | trans | -157.7 | 130.8 | 146.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 873 | P | 32.9 | Very low | 32.9 | Very low | 133 Ų | 133 | 113 Ų | 113 | 86% | 0.864 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -83 | 121.6 | 171.7 | 31.9 | -30.5 | 0 | 0 | 0 | 110.2 | ||
| 874 | F | 31.3 | Very low | 33.2 | Very low | 198 Ų | 198 | 111.4 Ų | 111.4 | 87% | 0.868 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 124.7 | 168.1 | -85.8 | -92.7 | 0 | 0 | 0 | 110 | ||
| 875 | A | 28.2 | Very low | 33.4 | Very low | 91 Ų | 91 | 111.8 Ų | 111.8 | 75% | 0.752 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 126.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 876 | P | 37.4 | Very low | 33.7 | Very low | 123 Ų | 123 | 109.5 Ų | 109.5 | 80% | 0.799 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 127 | 169.3 | 31.3 | -30.8 | 0 | 0 | 0 | 110.1 | ||
| 877 | D | 35.6 | Very low | 33.9 | Very low | 164 Ų | 164 | 102 Ų | 102 | 88% | 0.877 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 145.8 | 168.5 | -94 | -45.6 | 0 | 0 | 0 | 110.6 | G879 | D877-G879 PolarHBondContact O-N 3.4Š|
| 878 | T | 36 | Very low | 34 | Very low | 105 Ų | 105 | 102.2 Ų | 102.2 | 64% | 0.644 | 67% | 0.672 | S | S | * | * | trans | -77.8 | 80.2 | -174 | 40.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 879 | G | 34.2 | Very low | 34.1 | Very low | 41 Ų | 41 | 107 Ų | 107 | 42% | 0.423 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 137.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D877 | D877-G879 PolarHBondContact O-N 3.4Š|
| 880 | Y | 39.1 | Very low | 34.1 | Very low | 93 Ų | 93 | 109.6 Ų | 109.6 | 37% | 0.365 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -98.9 | 135.2 | 172.3 | -75.5 | -98.5 | 0 | 0 | 0 | 110.2 | T65 V98 Q882 | T65-Y880 HydrophobicContact CG2-CD1 3.44Å; T65-Y880 VanDerWaalsContact CG2-CD1 3.44Å; T65-Y880 HydrophobicContact CG2-CD2 4.49Å; T65-Y880 HydrophobicContact CG2-CE1 3.25Å; T65-Y880 HydrophobicContact CG2-CE2 4.34Å; T65-Y880 HydrophobicContact CG2-CG 4.08Å; V98-Y880 HydrophobicContact CB-CE1 4.32Å; V98-Y880 HydrophobicContact CG1-CE1 3.73Å; V98-Y880 HydrophobicContact CG2-CD1 4.26Å; V98-Y880 HydrophobicContact CG2-CE1 3.58Å; Y880-Q882 PolarHBondContact O-N 3.49Å |
| 881 | M | 37.3 | Very low | 34.2 | Very low | 18 Ų | 18 | 111.1 Ų | 111.1 | 9% | 0.089 | 67% | 0.671 | C | S | . | * | P | Polyproline II helix | trans | -76.2 | 122.4 | 169 | -60.1 | -118.7 | -81.1 | 0 | 0 | 108.7 | M17 F22 A25 F30 G63 F64 | M17-M881 HydrophobicContact CE-CG 4.02Å; M17-M881 HydrophobicContact CE-SD 4.11Å; F22-M881 HydrophobicContact CD2-CE 3.62Å; F22-M881 HydrophobicContact CD2-SD 4.18Å; F22-M881 HydrophobicContact CE2-CE 3.77Å; A25-M881 HydrophobicContact CB-SD 4.14Å; F30-M881 HydrophobicContact CZ-CE 4.5Å; G63-M881 WeakPolarHBondContact CA-O 3.34Å; F64-M881 WeakPolarHBondContact O-CB 3.47Å |
| 882 | Q | 39.7 | Very low | 34.3 | Very low | 47 Ų | 47 | 111.5 Ų | 111.5 | 22% | 0.22 | 67% | 0.673 | C | S | . | * | trans | -133.3 | 116.5 | 175.4 | -174.6 | -167.1 | -117 | 0 | 0 | 109.2 | Y15 R73 Y880 A884 | Y15-Q882 PolarHBondContact O-NE2 2.82Å; R73-Q882 VanDerWaalsContact NH2-CG 3.31Å; Y880-Q882 PolarHBondContact O-N 3.49Å; Q882-A884 PolarHBondContact O-N 3.3Å | ||
| 883 | Y | 33.1 | Very low | 34.4 | Very low | 98 Ų | 98 | 111.1 Ų | 111.1 | 38% | 0.384 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -76.7 | 125.8 | 170.6 | -83.5 | -118.5 | 0 | 0 | 0 | 110.3 | F22 M43 R73 | F22-Y883 HydrophobicContact CD2-CE2 4.36Å; F22-Y883 WeakPolarHBondContact CD2-OH 3.36Å; F22-Y883 HydrophobicContact CE2-CE2 4.31Å; F22-Y883 VanDerWaalsContact CE2-OH 3.22Å; F22-Y883 WeakPolarHBondContact CE2-OH 2.95Å; F22-Y883 VanDerWaalsContact CZ-OH 3.32Å; F22-Y883 WeakPolarHBondContact CZ-OH 3.49Å; M43-Y883 HydrophobicContact CE-CD2 3.26Å; M43-Y883 HydrophobicContact CE-CE2 3.73Å; M43-Y883 HydrophobicContact CE-CG 4Å; M43-Y883 HydrophobicContact SD-CD2 4.21Å; M43-Y883 HydrophobicContact SD-CE2 4.06Å; R73-Y883 PolarHBondContact NH1-O 3.04Å; R73-Y883 PolarHBondContact NH2-O 3.33Å |
| 884 | A | 33.7 | Very low | 34.8 | Very low | 60 Ų | 60 | 110.4 Ų | 110.4 | 50% | 0.496 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -93.7 | 140.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q882 T886 | Q882-A884 PolarHBondContact O-N 3.3Å; A884-T886 PolarHBondContact O-N 3.5Å |
| 885 | A | 34.1 | Very low | 34.6 | Very low | 102 Ų | 102 | 111.8 Ų | 111.8 | 84% | 0.843 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 130.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | G887 | A885-G887 VanDerWaalsContact C-N 3.28Å; A885-G887 PolarHBondContact O-N 3.21Å |
| 886 | T | 35.8 | Very low | 34.9 | Very low | 147 Ų | 147 | 115.6 Ų | 115.6 | 90% | 0.902 | 67% | 0.673 | S | S | * | * | trans | -76.2 | 74.2 | -173.3 | 34.7 | 0 | 0 | 0 | 0 | 112.3 | A884 | A884-T886 PolarHBondContact O-N 3.5Š| ||
| 887 | G | 32.5 | Very low | 34.9 | Very low | 68 Ų | 68 | 118 Ų | 118 | 70% | 0.701 | 67% | 0.674 | S | S | * | * | trans | -59.9 | 131.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | A885 | A885-G887 VanDerWaalsContact C-N 3.28Å; A885-G887 PolarHBondContact O-N 3.21Å | ||
| 888 | A | 34.7 | Very low | 34.9 | Very low | 96 Ų | 96 | 117.8 Ų | 117.8 | 79% | 0.793 | 67% | 0.672 | S | S | * | * | trans | -62.3 | 139.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L890 | A888-L890 PolarHBondContact O-N 2.85Š| ||
| 889 | Q | 32.9 | Very low | 34.9 | Very low | 200 Ų | 200 | 121 Ų | 121 | 94% | 0.935 | 68% | 0.684 | S | S | * | * | trans | -66.3 | 105.9 | 175.3 | -76 | -177.9 | -40.3 | 0 | 0 | 110.5 | ||||
| 890 | L | 33.4 | Very low | 34.8 | Very low | 161 Ų | 161 | 127 Ų | 127 | 84% | 0.843 | 71% | 0.706 | S | S | * | * | trans | -76.3 | 141.9 | 161.9 | -75.8 | 167.3 | 0 | 0 | 0 | 109.7 | A888 | A888-L890 PolarHBondContact O-N 2.85Š| ||
| 891 | P | 34.6 | Very low | 34.4 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | trans | -59.5 | 146.7 | 176.5 | -24.5 | 34.5 | 0 | 0 | 0 | 112.9 | G893 | P891-G893 PolarHBondContact O-N 2.85Å; P891-G893 VanDerWaalsContact O-N 3.1Å | ||
| 892 | Q | 32.1 | Very low | 34.1 | Very low | 208 Ų | 208 | 139.5 Ų | 139.5 | 97% | 0.972 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 111.2 | 171.8 | -69.4 | -175.5 | -10.5 | 0 | 0 | 110.1 | ||
| 893 | G | 34.9 | Very low | 33.7 | Very low | 70 Ų | 70 | 142.7 Ų | 142.7 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 171.3 | -33.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | P891 | P891-G893 PolarHBondContact O-N 2.85Å; P891-G893 VanDerWaalsContact O-N 3.1Å |
| 894 | T | 39.5 | Very low | 33.7 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 72% | 0.718 | 82% | 0.818 | S | S | * | * | trans | -113.5 | 106.8 | -168.1 | -40.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 895 | Y | 28.3 | Very low | 33.9 | Very low | 227 Ų | 227 | 147.4 Ų | 147.4 | 89% | 0.89 | 84% | 0.835 | S | S | * | * | trans | -81.3 | 116.9 | 168.7 | -76.4 | -92.8 | 0 | 0 | 0 | 110.6 | ||||
| 896 | H | 34.8 | Very low | 34.2 | Very low | 171 Ų | 171 | 147 Ų | 147 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | trans | -125.6 | 120.6 | 156.5 | -79.4 | -79.1 | 0 | 0 | 0 | 109.4 | ||||
| 897 | Q | 35.9 | Very low | 34.1 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -77.9 | 174.3 | 160.6 | -63.7 | -158.3 | 25.3 | 0 | 0 | 109.8 | ||||
| 898 | N | 36.5 | Very low | 34.2 | Very low | 158 Ų | 158 | 150.6 Ų | 150.6 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | 79.4 | 60.6 | 178.9 | -50.7 | -25.1 | 0 | 0 | 0 | 116.4 | ||||
| 899 | L | 35.3 | Very low | 34.4 | Very low | 172 Ų | 172 | 149.9 Ų | 149.9 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | trans | -150.3 | 33.4 | 164.3 | -117.1 | 159 | 0 | 0 | 0 | 115.2 | ||||
| 900 | L | 32.6 | Very low | 34.6 | Very low | 168 Ų | 168 | 148.5 Ų | 148.5 | 88% | 0.88 | 82% | 0.818 | S | S | * | * | trans | -145.5 | 84.7 | 173.5 | -81.8 | 174 | 0 | 0 | 0 | 110.9 | ||||
| 901 | R | 31 | Very low | 35 | Very low | 255 Ų | 255 | 145.2 Ų | 145.2 | 96% | 0.962 | 81% | 0.814 | S | S | * | * | trans | -161.1 | 40.3 | 174.9 | -119.1 | 166.5 | -154.5 | -112.1 | 4.4 | 117.6 | ||||
| 902 | S | 31 | Very low | 35.4 | Very low | 119 Ų | 119 | 148 Ų | 148 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -162 | 144.5 | 165.6 | 45.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 903 | S | 30.9 | Very low | 35.8 | Very low | 114 Ų | 114 | 144.4 Ų | 144.4 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | S | Bend | cis | -152.7 | 117.6 | -0.5 | 50 | 0 | 0 | 0 | 0 | 112.2 | ||
| 904 | S | 34.2 | Very low | 36.1 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -161.6 | 123.8 | 153.5 | 50.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 905 | V | 36.3 | Very low | 36.2 | Very low | 141 Ų | 141 | 148.2 Ų | 148.2 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | -120.4 | 110.9 | 173.9 | 177.5 | 0 | 0 | 0 | 0 | 107.2 | A907 | V905-A907 PolarHBondContact O-N 2.76Š| ||
| 906 | P | 40.2 | Very low | 36.7 | Very low | 92 Ų | 92 | 146.6 Ų | 146.6 | 60% | 0.597 | 82% | 0.822 | S | S | * | * | trans | -66.4 | 128.8 | 171.8 | -18.6 | 32.1 | 0 | 0 | 0 | 110 | Y908 | P906-Y908 PolarHBondContact O-N 2.89Å; P906-Y908 VanDerWaalsContact O-N 3.14Å | ||
| 907 | A | 34.8 | Very low | 37.2 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -74.8 | 101.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | V905 G909 | V905-A907 PolarHBondContact O-N 2.76Å; A907-G909 PolarHBondContact O-N 3.48Å; A907-G909 VanDerWaalsContact O-N 3.13Å | ||
| 908 | Y | 34 | Very low | 37.5 | Very low | 188 Ų | 188 | 141 Ų | 141 | 74% | 0.737 | 83% | 0.825 | S | S | * | * | trans | -69.8 | 105.5 | 174 | -91.7 | -92.6 | 0 | 0 | 0 | 110.7 | P906 Q910 | P906-Y908 PolarHBondContact O-N 2.89Å; P906-Y908 VanDerWaalsContact O-N 3.14Å; Y908-Q910 PolarHBondContact O-N 3.47Å | ||
| 909 | G | 38.4 | Very low | 37.9 | Very low | 80 Ų | 80 | 138.7 Ų | 138.7 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | -72.5 | 104.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111 | A907 A911 | A907-G909 PolarHBondContact O-N 3.48Å; A907-G909 VanDerWaalsContact O-N 3.13Å; G909-A911 PolarHBondContact O-N 3.01Å | ||
| 910 | Q | 37.6 | Very low | 38.4 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -87.2 | 104.6 | 178 | -164.4 | 173.4 | 44.5 | 0 | 0 | 110.9 | Y908 | Y908-Q910 PolarHBondContact O-N 3.47Š| ||
| 911 | A | 42.6 | Very low | 38.8 | Very low | 92 Ų | 92 | 138.4 Ų | 138.4 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 126.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | G909 | G909-A911 PolarHBondContact O-N 3.01Š|
| 912 | H | 43.3 | Very low | 39.6 | Very low | 170 Ų | 170 | 131.3 Ų | 131.3 | 79% | 0.787 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 133.1 | 177.3 | -70.4 | -84.9 | 0 | 0 | 0 | 112.2 | ||
| 913 | P | 39 | Very low | 40.3 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 116.8 | 169.5 | 31.1 | -31.8 | 0 | 0 | 0 | 111.2 | ||
| 914 | G | 42.6 | Very low | 41 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | -120.7 | 107 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 915 | Q | 41.3 | Very low | 41.7 | Very low | 196 Ų | 196 | 136.9 Ų | 136.9 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | trans | 55.2 | 108.8 | 156.4 | -58.9 | -175 | 3.3 | 0 | 0 | 119.8 | ||||
| 916 | Q | 38.6 | Very low | 42.3 | Very low | 193 Ų | 193 | 142 Ų | 142 | 90% | 0.902 | 84% | 0.838 | S | S | * | * | trans | -86.2 | 139.7 | 148.7 | -68.5 | 179 | -17.5 | 0 | 0 | 110.6 | ||||
| 917 | P | 46 | Very low | 42.4 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 83% | 0.825 | 85% | 0.851 | S | S | * | * | trans | -90.8 | 160.3 | 149.3 | 34.7 | -30 | 0 | 0 | 0 | 111 | ||||
| 918 | A | 42.3 | Very low | 42.8 | Very low | 102 Ų | 102 | 146.6 Ų | 146.6 | 84% | 0.843 | 85% | 0.85 | S | S | * | * | trans | -113.6 | 178.2 | -164.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 919 | A | 43.1 | Very low | 43.3 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 91% | 0.909 | 86% | 0.856 | S | S | * | * | trans | 80.8 | 133 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 920 | G | 45.9 | Very low | 43.6 | Very low | 78 Ų | 78 | 148.1 Ų | 148.1 | 80% | 0.804 | 86% | 0.858 | S | S | * | * | trans | 158.5 | 51.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 921 | R | 41.2 | Very low | 44 | Very low | 255 Ų | 255 | 146.6 Ų | 146.6 | 96% | 0.962 | 86% | 0.862 | S | S | * | * | trans | -104.1 | 98.4 | -170.8 | -141.1 | -173.6 | -169.2 | -166.1 | 3.6 | 112.7 | ||||
| 922 | S | 48 | Very low | 44.1 | Very low | 107 Ų | 107 | 150.2 Ų | 150.2 | 75% | 0.748 | 87% | 0.868 | S | S | * | * | trans | -158.4 | 100.8 | 167.4 | 50.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 923 | S | 46.4 | Very low | 44.1 | Very low | 109 Ų | 109 | 148.8 Ų | 148.8 | 76% | 0.762 | 87% | 0.874 | S | S | * | * | 89.4 | 95 | 74 | -72.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 924 | L | 45.3 | Very low | 44.5 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 84% | 0.838 | 88% | 0.875 | S | S | * | * | trans | 32.3 | 110.6 | 147.2 | -81.2 | 83.6 | 0 | 0 | 0 | 119.4 | ||||
| 925 | K | 48.5 | Very low | 44.7 | Very low | 196 Ų | 196 | 156.8 Ų | 156.8 | 85% | 0.852 | 89% | 0.888 | S | S | * | * | 164 | 97 | 108.7 | -91.4 | 176.9 | 179.7 | 179.4 | 0 | 113.1 | |||||
| 926 | L | 49.5 | Very low | 45 | Very low | 248 Ų | 248 | 153.2 Ų | 153.2 | 100% | 1.298 | 89% | 0.886 | S | S | * | * | -167.4 | 0 | 121.3 | -110.4 | 157.2 | 0 | 0 | 0 | 109.4 |
Retrieved 926 of 926 residues in 2441.7 ms
(Link to these results)