| 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 | 31 | Very low | 26.9 | Very low | 223 Ų | 223 | 165.8 Ų | 165.8 | 100% | 1.099 | 83% | 0.827 | S | S | * | * | 0 | 86.9 | 0 | -173.6 | 163.5 | 145 | 0 | 0 | 105.8 | |||||
| 2 | V | 29.3 | Very low | 26.9 | Very low | 139 Ų | 139 | 169.8 Ų | 169.8 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | trans | -93.5 | 109.7 | -174.2 | -177.7 | 0 | 0 | 0 | 0 | 105.3 | Q4 | V2-Q4 PolarHBondContact O-N 2.66Š| ||
| 3 | L | 25.5 | Very low | 27.1 | Very low | 144 Ų | 144 | 167.2 Ų | 167.2 | 75% | 0.754 | 83% | 0.829 | S | S | * | * | trans | -70.9 | 122.6 | 177.2 | -67.6 | 168.2 | 0 | 0 | 0 | 107.3 | ||||
| 4 | Q | 26.2 | Very low | 26.9 | Very low | 184 Ų | 184 | 161.1 Ų | 161.1 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | -77.3 | 119.4 | -179.4 | -71.6 | 177.1 | -42.8 | 0 | 0 | 108.9 | V2 E6 | V2-Q4 PolarHBondContact O-N 2.66Å; Q4-E6 PolarHBondContact O-N 3.34Å; Q4-E6 VanDerWaalsContact O-N 3.15Å | ||
| 5 | D | 26.2 | Very low | 26.9 | Very low | 150 Ų | 150 | 155.1 Ų | 155.1 | 80% | 0.802 | 82% | 0.824 | S | S | * | * | trans | -71 | 88 | 167.9 | -67.8 | -51.3 | 0 | 0 | 0 | 109.6 | ||||
| 6 | E | 27 | Very low | 26.9 | Very low | 170 Ų | 170 | 153.7 Ų | 153.7 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | -135.5 | 108 | 162.7 | -70.9 | -154 | 176.2 | 0 | 0 | 110 | Q4 | Q4-E6 PolarHBondContact O-N 3.34Å; Q4-E6 VanDerWaalsContact O-N 3.15Å | ||
| 7 | D | 27.4 | Very low | 26.8 | Very low | 150 Ų | 150 | 155.4 Ų | 155.4 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | trans | 156.2 | 50.6 | 138.8 | -75.8 | -20 | 0 | 0 | 0 | 111.4 | V9 | D7-V9 PolarHBondContact O-N 3.18Š| ||
| 8 | Y | 26.2 | Very low | 26.9 | Very low | 220 Ų | 220 | 153.8 Ų | 153.8 | 86% | 0.863 | 82% | 0.822 | S | S | * | * | trans | -76.8 | 103.9 | 158.9 | -79.7 | -83.9 | 0 | 0 | 0 | 108.6 | N10 | Y8-N10 PolarHBondContact O-N 2.85Š| ||
| 9 | V | 28.2 | Very low | 26.9 | Very low | 126 Ų | 126 | 155.3 Ų | 155.3 | 76% | 0.764 | 82% | 0.82 | S | S | * | * | trans | -60.4 | 109.8 | 174.3 | -179.6 | 0 | 0 | 0 | 0 | 109.2 | D7 F11 | D7-V9 PolarHBondContact O-N 3.18Å; V9-F11 PolarHBondContact O-N 3.12Å | ||
| 10 | N | 25.5 | Very low | 27 | Very low | 124 Ų | 124 | 156.6 Ų | 156.6 | 66% | 0.663 | 82% | 0.819 | S | S | * | * | trans | -75.3 | 106.1 | -175.9 | -163.5 | -20.7 | 0 | 0 | 0 | 110.4 | Y8 R12 | Y8-N10 PolarHBondContact O-N 2.85Å; N10-R12 PolarHBondContact O-N 3.49Å | ||
| 11 | F | 24 | Very low | 27 | Very low | 194 Ų | 194 | 155.3 Ų | 155.3 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -72 | 91.8 | 167.8 | -86.7 | -94.4 | 0 | 0 | 0 | 109.4 | V9 P13 | V9-F11 PolarHBondContact O-N 3.12Å; F11-P13 WeakPolarHBondContact O-CD 3.38Å | ||
| 12 | R | 25.9 | Very low | 26.8 | Very low | 214 Ų | 214 | 149.9 Ų | 149.9 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | trans | -84.9 | 116.4 | 162.6 | -76.7 | -168.7 | 177.5 | -167 | 0.8 | 109.4 | N10 G14 | N10-R12 PolarHBondContact O-N 3.49Å; R12-G14 PolarHBondContact O-N 3.47Å | ||
| 13 | P | 29.6 | Very low | 26.7 | Very low | 135 Ų | 135 | 149.7 Ų | 149.7 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -78.3 | 113.4 | 172.5 | 30.9 | -28.5 | 0 | 0 | 0 | 108.5 | F11 | F11-P13 WeakPolarHBondContact O-CD 3.38Š|
| 14 | G | 24.4 | Very low | 27.4 | Very low | 83 Ų | 83 | 148.5 Ų | 148.5 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | 134.4 | 62.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R12 | R12-G14 PolarHBondContact O-N 3.47Š| ||
| 15 | G | 27.2 | Very low | 28 | Very low | 71 Ų | 71 | 146.9 Ų | 146.9 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | trans | -131.2 | 106.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 16 | T | 26.8 | Very low | 28.6 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | -42.8 | 135.5 | 179 | 39.3 | 0 | 0 | 0 | 0 | 115.4 | V18 | T16-V18 PolarHBondContact O-N 3.28Å; T16-V18 VanDerWaalsContact O-N 3.07Å | ||
| 17 | H | 26.1 | Very low | 29.1 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | trans | -30.8 | 102.8 | 168.2 | -66.2 | -88.1 | 0 | 0 | 0 | 114.5 | ||||
| 18 | V | 28.6 | Very low | 29.6 | Very low | 128 Ų | 128 | 139 Ų | 139 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | -91.8 | 94.2 | 152.7 | -177.3 | 0 | 0 | 0 | 0 | 106.2 | T16 K20 | T16-V18 PolarHBondContact O-N 3.28Å; T16-V18 VanDerWaalsContact O-N 3.07Å; V18-K20 VanDerWaalsContact C-N 3.32Å; V18-K20 PolarHBondContact O-N 3.3Å | ||
| 19 | K | 25.7 | Very low | 30 | Very low | 181 Ų | 181 | 135.4 Ų | 135.4 | 79% | 0.787 | 73% | 0.725 | S | S | * | * | trans | -59.2 | 98.9 | 164.6 | -73.1 | -178.5 | 176.8 | -178.2 | 0 | 106.8 | T21 | K19-T21 PolarHBondContact O-N 3.44Å; K19-T21 VanDerWaalsContact O-N 3.08Å | ||
| 20 | K | 28.4 | Very low | 30.2 | Very low | 182 Ų | 182 | 132.8 Ų | 132.8 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | trans | -65.3 | 108.4 | 160.7 | -79.5 | -173.8 | 177.4 | -179.6 | 0 | 105.9 | V18 I22 | V18-K20 VanDerWaalsContact C-N 3.32Å; V18-K20 PolarHBondContact O-N 3.3Å; K20-I22 VanDerWaalsContact C-N 3.33Å; K20-I22 PolarHBondContact O-N 3.12Å | ||
| 21 | T | 28.7 | Very low | 30.8 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | trans | -58.5 | 99.7 | 164.8 | -55.6 | 0 | 0 | 0 | 0 | 106.6 | K19 E23 | K19-T21 PolarHBondContact O-N 3.44Å; K19-T21 VanDerWaalsContact O-N 3.08Å; T21-E23 PolarHBondContact O-N 3.44Å | ||
| 22 | I | 26.7 | Very low | 31.4 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 56% | 0.559 | 70% | 0.701 | S | S | * | * | trans | -76 | 116.6 | 173.3 | -59.3 | 167.2 | 0 | 0 | 0 | 105.5 | K20 H26 | K20-I22 VanDerWaalsContact C-N 3.33Å; K20-I22 PolarHBondContact O-N 3.12Å; I22-H26 HydrophobicContact CG2-CB 4.17Å | ||
| 23 | E | 26.9 | Very low | 31.6 | Very low | 135 Ų | 135 | 126.3 Ų | 126.3 | 63% | 0.631 | 69% | 0.685 | S | S | * | * | trans | -60 | 140.7 | 176 | -72.6 | 176 | 158.7 | 0 | 0 | 110.2 | T21 E25 H26 | T21-E23 PolarHBondContact O-N 3.44Å; E23-E25 PolarHBondContact O-N 3.11Å; E23-H26 PolarHBondContact O-N 3.01Å | ||
| 24 | P | 39.6 | Very low | 31.8 | Very low | 119 Ų | 119 | 125.7 Ų | 125.7 | 77% | 0.773 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -7.6 | -161.3 | 23.3 | -33.2 | 0 | 0 | 0 | 115.7 | H26 | P24-H26 VanDerWaalsContact C-N 3.29Å; P24-H26 PolarHBondContact O-N 3.41Å |
| 25 | E | 39.9 | Very low | 32.4 | Very low | 150 Ų | 150 | 128.7 Ų | 128.7 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -13.4 | 177.7 | 61.7 | -177.5 | -156.3 | 0 | 0 | 114.1 | E23 | E23-E25 PolarHBondContact O-N 3.11Š|
| 26 | H | 37.5 | Very low | 32.7 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 43% | 0.426 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -101.1 | -7.4 | 176.8 | -68 | 89.5 | 0 | 0 | 0 | 114.2 | I22 E23 P24 E28 K29 D30 | I22-H26 HydrophobicContact CG2-CB 4.17Å; E23-H26 PolarHBondContact O-N 3.01Å; P24-H26 VanDerWaalsContact C-N 3.29Å; P24-H26 PolarHBondContact O-N 3.41Å; H26-E28 VanDerWaalsContact C-N 3.34Å; H26-E28 PolarHBondContact O-N 3.12Å; H26-K29 PolarHBondContact O-N 3.17Å; H26-D30 PolarHBondContact O-N 2.88Å |
| 27 | A | 37.2 | Very low | 32.9 | Very low | 48 Ų | 48 | 130.4 Ų | 130.4 | 40% | 0.397 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.1 | -31.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q31 | A27-Q31 PolarHBondContact O-N 2.75Å; A27-Q31 VanDerWaalsContact O-N 3.15Å |
| 28 | E | 38.6 | Very low | 33.3 | Very low | 164 Ų | 164 | 123.2 Ų | 123.2 | 77% | 0.766 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.3 | -33.4 | 178.8 | -71.1 | -176 | 163.2 | 0 | 0 | 112.5 | H26 Q32 | H26-E28 VanDerWaalsContact C-N 3.34Å; H26-E28 PolarHBondContact O-N 3.12Å; E28-Q32 PolarHBondContact O-N 3.25Å |
| 29 | K | 35.5 | Very low | 33.8 | Very low | 146 Ų | 146 | 119.9 Ų | 119.9 | 64% | 0.635 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.7 | -43.1 | 175.1 | -73.3 | -176.6 | 178 | 176 | 0 | 111.2 | H26 Q31 Q32 E33 | H26-K29 PolarHBondContact O-N 3.17Å; K29-Q31 VanDerWaalsContact C-N 3.34Å; K29-Q31 PolarHBondContact O-N 2.9Å; K29-Q32 PolarHBondContact O-N 3.14Å; K29-E33 WeakPolarHBondContact O-CB 3.33Å; K29-E33 PolarHBondContact O-N 3.12Å |
| 30 | D | 32.1 | Very low | 34.2 | Very low | 71 Ų | 71 | 114.3 Ų | 114.3 | 38% | 0.38 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.4 | -35.8 | 178.7 | -70 | -14.6 | 0 | 0 | 0 | 112.1 | H26 Q32 N34 | H26-D30 PolarHBondContact O-N 2.88Å; D30-Q32 VanDerWaalsContact C-N 3.34Å; D30-Q32 PolarHBondContact O-N 3.08Å; D30-N34 VanDerWaalsContact O-CB 3.25Å; D30-N34 WeakPolarHBondContact O-CB 3.26Å; D30-N34 PolarHBondContact O-N 3.31Å |
| 31 | Q | 36.9 | Very low | 34.6 | Very low | 142 Ų | 142 | 109 Ų | 109 | 66% | 0.664 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70 | -31.3 | 177.7 | -122.4 | 166.1 | 11.8 | 0 | 0 | 113.1 | A27 K29 K35 | A27-Q31 PolarHBondContact O-N 2.75Å; A27-Q31 VanDerWaalsContact O-N 3.15Å; K29-Q31 VanDerWaalsContact C-N 3.34Å; K29-Q31 PolarHBondContact O-N 2.9Å; Q31-K35 WeakPolarHBondContact O-CG 3.44Å; Q31-K35 PolarHBondContact O-N 3.07Å |
| 32 | Q | 37.3 | Very low | 34.9 | Very low | 154 Ų | 154 | 103.3 Ų | 103.3 | 72% | 0.72 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -79.3 | -36.3 | 177.2 | -153.2 | 150.1 | 14.8 | 0 | 0 | 111.5 | E28 K29 D30 K36 | E28-Q32 PolarHBondContact O-N 3.25Å; K29-Q32 PolarHBondContact O-N 3.14Å; D30-Q32 VanDerWaalsContact C-N 3.34Å; D30-Q32 PolarHBondContact O-N 3.08Å; Q32-K36 PolarHBondContact O-N 3.03Å |
| 33 | E | 30.1 | Very low | 35.4 | Very low | 99 Ų | 99 | 101.2 Ų | 101.2 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.8 | -46.2 | 172 | -82.6 | -167 | -178.3 | 0 | 0 | 112.3 | K29 K35 K36 Y37 | K29-E33 WeakPolarHBondContact O-CB 3.33Å; K29-E33 PolarHBondContact O-N 3.12Å; E33-K35 VanDerWaalsContact C-N 3.29Å; E33-K35 PolarHBondContact O-N 3.26Å; E33-K36 CarbonylContact O-C 3.59Å; E33-K36 WeakPolarHBondContact O-CA 3.37Å; E33-K36 VanDerWaalsContact O-CB 3.29Å; E33-K36 WeakPolarHBondContact O-CB 3.49Å; E33-K36 PolarHBondContact O-N 2.99Å; E33-Y37 HydrophobicContact CB-CD2 4.19Å; E33-Y37 HydrophobicContact CB-CE2 3.82Å; E33-Y37 HydrophobicContact CG-CE2 4.24Å; E33-Y37 WeakPolarHBondContact O-CD2 3.44Å; E33-Y37 PolarHBondContact O-N 3.15Å |
| 34 | N | 33 | Very low | 35.7 | Very low | 123 Ų | 123 | 98.5 Ų | 98.5 | 66% | 0.658 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.9 | -31.8 | -179 | -144.4 | 14.3 | 0 | 0 | 0 | 112.3 | D30 G38 | D30-N34 VanDerWaalsContact O-CB 3.25Å; D30-N34 WeakPolarHBondContact O-CB 3.26Å; D30-N34 PolarHBondContact O-N 3.31Å; N34-G38 PolarHBondContact O-N 3.35Å |
| 35 | K | 38.3 | Very low | 35.5 | Very low | 146 Ų | 146 | 99.4 Ų | 99.4 | 64% | 0.635 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.8 | -34.8 | 168.7 | -80.6 | -178.5 | -179.7 | 178.4 | 0 | 112.7 | Q31 E33 K39 | Q31-K35 WeakPolarHBondContact O-CG 3.44Å; Q31-K35 PolarHBondContact O-N 3.07Å; E33-K35 VanDerWaalsContact C-N 3.29Å; E33-K35 PolarHBondContact O-N 3.26Å; K35-K39 WeakPolarHBondContact O-CD 3.48Å; K35-K39 WeakPolarHBondContact O-CE 3.47Å; K35-K39 VanDerWaalsContact O-CG 3.29Å; K35-K39 WeakPolarHBondContact O-CG 3.27Å |
| 36 | K | 33.4 | Very low | 35.3 | Very low | 116 Ų | 116 | 92.9 Ų | 92.9 | 50% | 0.504 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.1 | -41.9 | 175.8 | -172.4 | -179.1 | 179.9 | -179 | 0 | 111.3 | Q32 E33 | Q32-K36 PolarHBondContact O-N 3.03Å; E33-K36 CarbonylContact O-C 3.59Å; E33-K36 WeakPolarHBondContact O-CA 3.37Å; E33-K36 VanDerWaalsContact O-CB 3.29Å; E33-K36 WeakPolarHBondContact O-CB 3.49Å; E33-K36 PolarHBondContact O-N 2.99Å |
| 37 | Y | 30.6 | Very low | 35.3 | Very low | 123 Ų | 123 | 89.6 Ų | 89.6 | 48% | 0.482 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -76.7 | -32.5 | 179.9 | -63.6 | -65.9 | 0 | 0 | 0 | 113.3 | E33 K39 W40 N41 | E33-Y37 HydrophobicContact CB-CD2 4.19Å; E33-Y37 HydrophobicContact CB-CE2 3.82Å; E33-Y37 HydrophobicContact CG-CE2 4.24Å; E33-Y37 WeakPolarHBondContact O-CD2 3.44Å; E33-Y37 PolarHBondContact O-N 3.15Å; Y37-K39 VanDerWaalsContact C-N 3.31Å; Y37-K39 PolarHBondContact O-N 2.88Å; Y37-W40 PolarHBondContact O-N 2.83Å; Y37-N41 PolarHBondContact O-N 3.12Å |
| 38 | G | 34.8 | Very low | 35.1 | Very low | 31 Ų | 31 | 89.4 Ų | 89.4 | 32% | 0.32 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.5 | -35.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N34 N41 T42 | N34-G38 PolarHBondContact O-N 3.35Å; G38-N41 PolarHBondContact O-N 3.17Å; G38-T42 PolarHBondContact O-OG1 2.95Å |
| 39 | K | 37.8 | Very low | 35 | Very low | 57 Ų | 57 | 88 Ų | 88 | 25% | 0.248 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 173.3 | -68 | 167.9 | -169 | -171.2 | 0 | 112 | K35 Y37 T42 F166 I170 | K35-K39 WeakPolarHBondContact O-CD 3.48Å; K35-K39 WeakPolarHBondContact O-CE 3.47Å; K35-K39 VanDerWaalsContact O-CG 3.29Å; K35-K39 WeakPolarHBondContact O-CG 3.27Å; Y37-K39 VanDerWaalsContact C-N 3.31Å; Y37-K39 PolarHBondContact O-N 2.88Å; K39-T42 PolarHBondContact O-N 3.47Å; K39-F166 HydrophobicContact CB-CZ 4.35Å; K39-F166 HydrophobicContact CD-CE1 4.45Å; K39-F166 HydrophobicContact CG-CD1 4.27Å; K39-F166 HydrophobicContact CG-CE1 3.47Å; K39-F166 VanDerWaalsContact CG-CE1 3.47Å; K39-F166 HydrophobicContact CG-CZ 3.72Å; K39-I170 HydrophobicContact CD-CG2 3.91Å; K39-I170 HydrophobicContact CG-CG2 4.47Å |
| 40 | W | 34.4 | Very low | 34.9 | Very low | 65 Ų | 65 | 81.2 Ų | 81.2 | 25% | 0.246 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.5 | -36.8 | 179.5 | -89.6 | 101.3 | 0 | 0 | 0 | 113.5 | Y37 T42 V43 R44 F194 F202 | Y37-W40 PolarHBondContact O-N 2.83Å; W40-T42 PolarHBondContact O-N 3.33Å; W40-V43 PolarHBondContact O-N 3.49Å; W40-R44 VanDerWaalsContact O-CB 3.23Å; W40-R44 WeakPolarHBondContact O-CB 3.27Å; W40-R44 PolarHBondContact O-N 3.01Å; W40-F194 HydrophobicContact CH2-CE1 4.03Å; W40-F194 HydrophobicContact CZ2-CE1 4.07Å; W40-F194 HydrophobicContact CZ2-CZ 4.17Å; W40-F202 HydrophobicContact CE3-CZ 4.45Å; W40-F202 AromaticContact CH2-CZ 3.72Å; W40-F202 HydrophobicContact CH2-CZ 3.72Å; W40-F202 AromaticContact CZ3-CE1 3.81Å; W40-F202 HydrophobicContact CZ3-CE1 3.81Å; W40-F202 AromaticContact CZ3-CZ 3.42Å; W40-F202 HydrophobicContact CZ3-CZ 3.42Å; W40-F202 VanDerWaalsContact CZ3-CZ 3.42Å |
| 41 | N | 36.9 | Very low | 35 | Very low | 69 Ų | 69 | 78.5 Ų | 78.5 | 37% | 0.369 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.8 | -14.5 | 179.6 | -72 | -18.4 | 0 | 0 | 0 | 113.8 | Y37 G38 R44 K45 | Y37-N41 PolarHBondContact O-N 3.12Å; G38-N41 PolarHBondContact O-N 3.17Å; N41-R44 WeakPolarHBondContact O-CB 3.47Å; N41-K45 WeakPolarHBondContact O-CG 3.44Å; N41-K45 PolarHBondContact O-N 3.44Å |
| 42 | T | 35 | Very low | 35 | Very low | 11 Ų | 11 | 80 Ų | 80 | 7% | 0.067 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -92.2 | -49.7 | -178.3 | -48.9 | 0 | 0 | 0 | 0 | 111.9 | G38 K39 W40 R44 K45 L46 L159 F162 L164 | G38-T42 PolarHBondContact O-OG1 2.95Å; K39-T42 PolarHBondContact O-N 3.47Å; W40-T42 PolarHBondContact O-N 3.33Å; T42-R44 PolarHBondContact O-N 3.28Å; T42-K45 PolarHBondContact O-N 3.47Å; T42-L46 PolarHBondContact O-N 3.31Å; T42-L159 HydrophobicContact CG2-CD2 4.17Å; T42-F162 HydrophobicContact CG2-CB 4.01Å; T42-F162 HydrophobicContact CG2-CG 4.26Å; T42-L164 VanDerWaalsContact CB-CD1 3.45Å; T42-L164 HydrophobicContact CG2-CD1 3.15Å; T42-L164 HydrophobicContact CG2-CG 4.39Å; T42-L164 WeakPolarHBondContact OG1-CD1 3.27Å |
| 43 | V | 37 | Very low | 35 | Very low | 65 Ų | 65 | 78.5 Ų | 78.5 | 39% | 0.394 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -54.4 | -36.9 | 169 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | W40 L46 V47 | W40-V43 PolarHBondContact O-N 3.49Å; V43-L46 WeakPolarHBondContact O-CB 3.33Å; V43-L46 PolarHBondContact O-N 3.11Å; V43-V47 HydrophobicContact CG1-CG2 4.36Å; V43-V47 VanDerWaalsContact O-CG2 3.24Å; V43-V47 WeakPolarHBondContact O-CG2 3.44Å; V43-V47 PolarHBondContact O-N 3.14Å |
| 44 | R | 34.7 | Very low | 35.8 | Very low | 78 Ų | 78 | 77.1 Ų | 77.1 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -55.9 | -48.5 | 171.2 | -167.6 | -171 | -178.5 | 130.3 | 10.3 | 113.8 | W40 N41 T42 T48 E206 I207 | W40-R44 VanDerWaalsContact O-CB 3.23Å; W40-R44 WeakPolarHBondContact O-CB 3.27Å; W40-R44 PolarHBondContact O-N 3.01Å; N41-R44 WeakPolarHBondContact O-CB 3.47Å; T42-R44 PolarHBondContact O-N 3.28Å; R44-T48 WeakPolarHBondContact O-CB 3.39Å; R44-T48 PolarHBondContact O-N 3.48Å; R44-T48 PolarHBondContact O-OG1 2.88Å; R44-E206 PolarHBondContact NH2-O 2.92Å; R44-I207 HydrophobicContact CB-CG2 4.3Å; R44-I207 HydrophobicContact CG-CB 4.49Å; R44-I207 HydrophobicContact CG-CG2 3.38Å; R44-I207 VanDerWaalsContact CZ-O 3.3Å; R44-I207 PolarHBondContact NE-O 3.3Å; R44-I207 PolarHBondContact NH2-O 2.96Å |
| 45 | K | 34.8 | Very low | 36.8 | Very low | 138 Ų | 138 | 76 Ų | 76 | 60% | 0.6 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -67.3 | -34.7 | 177.4 | -75.9 | 177.8 | -179.5 | -178.1 | 0 | 112.7 | N41 T42 T48 | N41-K45 WeakPolarHBondContact O-CG 3.44Å; N41-K45 PolarHBondContact O-N 3.44Å; T42-K45 PolarHBondContact O-N 3.47Å; K45-T48 WeakPolarHBondContact O-CB 3.36Å |
| 46 | L | 34.7 | Very low | 37.8 | Very low | 12 Ų | 12 | 73.6 Ų | 73.6 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.3 | -50.6 | 176.8 | -96.1 | 160.3 | 0 | 0 | 0 | 112.1 | T42 V43 T48 N49 L138 L142 I158 F162 | T42-L46 PolarHBondContact O-N 3.31Å; V43-L46 WeakPolarHBondContact O-CB 3.33Å; V43-L46 PolarHBondContact O-N 3.11Å; L46-T48 VanDerWaalsContact C-N 3.26Å; L46-T48 PolarHBondContact O-N 3.12Å; L46-N49 PolarHBondContact O-N 2.95Å; L46-L138 HydrophobicContact CB-CD1 4.06Å; L46-L142 HydrophobicContact CD1-CD2 4.5Å; L46-I158 HydrophobicContact CD1-CG1 3.82Å; L46-I158 HydrophobicContact CD2-CD1 3.95Å; L46-I158 HydrophobicContact CD2-CG1 3.81Å; L46-I158 HydrophobicContact CG-CG1 4.39Å; L46-F162 HydrophobicContact CD1-CD2 3.93Å; L46-F162 HydrophobicContact CD1-CE2 3.77Å; L46-F162 HydrophobicContact CD1-CZ 4.45Å; L46-F162 HydrophobicContact CD2-CD2 4.11Å; L46-F162 HydrophobicContact CD2-CE2 3.11Å; L46-F162 HydrophobicContact CD2-CZ 3.38Å; L46-F162 HydrophobicContact CG-CD2 3.83Å; L46-F162 HydrophobicContact CG-CE1 4.3Å; L46-F162 HydrophobicContact CG-CE2 3.23Å; L46-F162 HydrophobicContact CG-CZ 3.48Å; L46-F162 VanDerWaalsContact CG-CZ 3.48Å |
| 47 | V | 37.5 | Very low | 39.4 | Very low | 24 Ų | 24 | 70 Ų | 70 | 15% | 0.145 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.5 | -30.2 | 179.3 | 175 | 0 | 0 | 0 | 0 | 112 | V43 N49 L138 I204 I207 | V43-V47 HydrophobicContact CG1-CG2 4.36Å; V43-V47 VanDerWaalsContact O-CG2 3.24Å; V43-V47 WeakPolarHBondContact O-CG2 3.44Å; V43-V47 PolarHBondContact O-N 3.14Å; V47-N49 VanDerWaalsContact C-N 3.31Å; V47-N49 PolarHBondContact O-N 2.91Å; V47-L138 HydrophobicContact CG2-CD1 3.92Å; V47-L138 HydrophobicContact CG2-CD2 3.82Å; V47-L138 HydrophobicContact CG2-CG 4.48Å; V47-I204 HydrophobicContact CG1-CG1 4.22Å; V47-I207 HydrophobicContact CG1-CD1 3.97Å |
| 48 | T | 34.8 | Very low | 41 | Very low | 44 Ų | 44 | 67.8 Ų | 67.8 | 27% | 0.27 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.2 | -33.4 | -179.4 | -71.9 | 0 | 0 | 0 | 0 | 113.8 | R44 K45 L46 L208 | R44-T48 WeakPolarHBondContact O-CB 3.39Å; R44-T48 PolarHBondContact O-N 3.48Å; R44-T48 PolarHBondContact O-OG1 2.88Å; K45-T48 WeakPolarHBondContact O-CB 3.36Å; L46-T48 VanDerWaalsContact C-N 3.26Å; L46-T48 PolarHBondContact O-N 3.12Å; T48-L208 HydrophobicContact CG2-CD2 3.23Å |
| 49 | N | 36.3 | Very low | 42.4 | Very low | 134 Ų | 134 | 71.8 Ų | 71.8 | 72% | 0.717 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -86 | -24.1 | -174.5 | -83.2 | -28.2 | 0 | 0 | 0 | 114.4 | L46 V47 | L46-N49 PolarHBondContact O-N 2.95Å; V47-N49 VanDerWaalsContact C-N 3.31Å; V47-N49 PolarHBondContact O-N 2.91Å |
| 50 | A | 33.2 | Very low | 43.9 | Very low | 4 Ų | 4 | 74.4 Ų | 74.4 | 3% | 0.033 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -82.7 | -18.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q52 E137 | A50-Q52 PolarHBondContact O-N 2.99Å; A50-E137 HydrophobicContact CB-CB 4.39Å; A50-E137 HydrophobicContact CB-CG 4.08Å |
| 51 | S | 34.3 | Very low | 45.7 | Very low | 14 Ų | 14 | 77 Ų | 77 | 10% | 0.098 | 39% | 0.388 | C | S | . | . | trans | -95.8 | 33.9 | -154.6 | 52.6 | 0 | 0 | 0 | 0 | 118 | H53 I204 | S51-H53 PolarHBondContact O-N 3.45Å; S51-I204 VanDerWaalsContact CB-CG1 3.45Å; S51-I204 WeakPolarHBondContact OG-CG2 2.92Å | ||
| 52 | Q | 35.9 | Very low | 47.2 | Very low | 174 Ų | 174 | 74.3 Ų | 74.3 | 81% | 0.813 | 37% | 0.373 | S | S | * | . | trans | -88.4 | 12.1 | -179.3 | -69.1 | -166 | 15.6 | 0 | 0 | 115.5 | A50 | A50-Q52 PolarHBondContact O-N 2.99Š| ||
| 53 | H | 38.5 | Very low | 48.8 | Very low | 122 Ų | 122 | 77.4 Ų | 77.4 | 57% | 0.565 | 40% | 0.396 | S | S | * | . | trans | -122.7 | 76.2 | -167.4 | -63.3 | -60.1 | 0 | 0 | 0 | 115.4 | S51 | S51-H53 PolarHBondContact O-N 3.45Š| ||
| 54 | I | 47 | Very low | 50.5 | Low | 69 Ų | 69 | 77.9 Ų | 77.9 | 35% | 0.354 | 40% | 0.402 | S | S | . | . | trans | -90.9 | 122 | 135.8 | -68.1 | 175 | 0 | 0 | 0 | 105.9 | T56 M59 I126 K130 | I54-T56 PolarHBondContact O-N 2.77Å; I54-M59 HydrophobicContact CG2-CB 4.42Å; I54-I126 HydrophobicContact CD1-CG2 4.23Å; I54-K130 HydrophobicContact CD1-CD 4.31Å; I54-K130 HydrophobicContact CG1-CD 4.43Å | ||
| 55 | N | 54 | Low | 52.2 | Low | 101 Ų | 101 | 74.9 Ų | 74.9 | 54% | 0.54 | 39% | 0.392 | S | S | . | . | trans | -64.5 | 111.6 | 172.3 | -166.9 | -36.6 | 0 | 0 | 0 | 107.6 | S57 Q58 | N55-S57 VanDerWaalsContact CG-OG 3.23Å; N55-S57 PolarHBondContact O-N 3.3Å; N55-S57 WeakPolarHBondContact OD1-CB 3.21Å; N55-S57 PolarHBondContact OD1-N 3.3Å; N55-S57 PolarHBondContact OD1-OG 2.93Å; N55-Q58 PolarHBondContact O-N 2.93Å | ||
| 56 | T | 57.7 | Low | 53.8 | Low | 95 Ų | 95 | 70 Ų | 70 | 58% | 0.583 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -45.5 | -28.5 | -178.1 | -47.4 | 0 | 0 | 0 | 0 | 112.8 | I54 L60 | I54-T56 PolarHBondContact O-N 2.77Å; T56-L60 HydrophobicContact CG2-CD1 4.37Å; T56-L60 WeakPolarHBondContact O-CG 3.22Å; T56-L60 PolarHBondContact O-N 2.76Å |
| 57 | S | 67.7 | Low | 55.6 | Low | 41 Ų | 41 | 72.9 Ų | 72.9 | 29% | 0.287 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63 | -37.1 | 176.1 | 66.4 | 0 | 0 | 0 | 0 | 115.3 | N55 R61 | N55-S57 VanDerWaalsContact CG-OG 3.23Å; N55-S57 PolarHBondContact O-N 3.3Å; N55-S57 WeakPolarHBondContact OD1-CB 3.21Å; N55-S57 PolarHBondContact OD1-N 3.3Å; N55-S57 PolarHBondContact OD1-OG 2.93Å; S57-R61 PolarHBondContact O-N 3.12Å |
| 58 | Q | 64.7 | Low | 57.3 | Low | 75 Ų | 75 | 75.1 Ų | 75.1 | 35% | 0.35 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71 | -43.4 | -179.7 | -75.4 | 173.9 | -28.9 | 0 | 0 | 111 | N55 L60 R61 L62 | N55-Q58 PolarHBondContact O-N 2.93Å; Q58-L60 VanDerWaalsContact C-N 3.3Å; Q58-L60 PolarHBondContact O-N 3.36Å; Q58-R61 PolarHBondContact O-N 3.35Å; Q58-L62 WeakPolarHBondContact O-CB 3.28Å; Q58-L62 PolarHBondContact O-N 3.46Å |
| 59 | M | 64.5 | Low | 58.8 | Low | 116 Ų | 116 | 73.3 Ų | 73.3 | 57% | 0.571 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62 | -38.1 | 177.9 | -169.7 | 165.4 | 64.2 | 0 | 0 | 112 | I54 L62 S63 | I54-M59 HydrophobicContact CG2-CB 4.42Å; M59-L62 PolarHBondContact O-N 3.02Å; M59-S63 WeakPolarHBondContact O-CB 3.39Å; M59-S63 PolarHBondContact O-N 3Å |
| 60 | L | 69.4 | Low | 60.2 | Low | 111 Ų | 111 | 69 Ų | 69 | 58% | 0.581 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.5 | -42.9 | 174.8 | -72 | 171.5 | 0 | 0 | 0 | 112.9 | T56 Q58 L62 S64 | T56-L60 HydrophobicContact CG2-CD1 4.37Å; T56-L60 WeakPolarHBondContact O-CG 3.22Å; T56-L60 PolarHBondContact O-N 2.76Å; Q58-L60 VanDerWaalsContact C-N 3.3Å; Q58-L60 PolarHBondContact O-N 3.36Å; L60-L62 VanDerWaalsContact C-N 3.35Å; L60-S64 PolarHBondContact O-N 3.48Å; L60-S64 VanDerWaalsContact O-N 3.12Å; L60-S64 PolarHBondContact O-OG 2.87Å |
| 61 | R | 70.6 | Confident | 61.6 | Low | 119 Ų | 119 | 76 Ų | 76 | 45% | 0.449 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.4 | -46 | 175.5 | -79.1 | -171.3 | -72.7 | -101.3 | -3 | 111.1 | S57 Q58 S64 I65 A88 | S57-R61 PolarHBondContact O-N 3.12Å; Q58-R61 PolarHBondContact O-N 3.35Å; R61-S64 WeakPolarHBondContact O-CB 3.38Å; R61-S64 PolarHBondContact O-N 3.27Å; R61-I65 WeakPolarHBondContact O-CG1 3.36Å; R61-I65 PolarHBondContact O-N 2.9Å; R61-I65 VanDerWaalsContact O-N 3.17Å; R61-A88 HydrophobicContact CB-CB 3.9Å |
| 62 | L | 68.3 | Low | 63 | Low | 13 Ų | 13 | 81 Ų | 81 | 7% | 0.068 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.8 | -45 | -178.8 | -172.9 | 65.7 | 0 | 0 | 0 | 112 | Q58 M59 L60 S64 I65 F66 V85 L89 V122 I126 | Q58-L62 WeakPolarHBondContact O-CB 3.28Å; Q58-L62 PolarHBondContact O-N 3.46Å; M59-L62 PolarHBondContact O-N 3.02Å; L60-L62 VanDerWaalsContact C-N 3.35Å; L62-S64 VanDerWaalsContact C-N 3.25Å; L62-S64 PolarHBondContact O-N 2.73Å; L62-I65 PolarHBondContact O-N 3.42Å; L62-I65 VanDerWaalsContact O-N 3.11Å; L62-F66 HydrophobicContact CD1-CD2 3.9Å; L62-F66 HydrophobicContact CD1-CE2 3.5Å; L62-F66 VanDerWaalsContact CD1-CE2 3.5Å; L62-F66 HydrophobicContact CD2-CD2 4.47Å; L62-F66 HydrophobicContact CD2-CE2 3.97Å; L62-F66 HydrophobicContact CG-CD2 3.69Å; L62-F66 HydrophobicContact CG-CE2 3.52Å; L62-F66 VanDerWaalsContact O-CD2 3.3Å; L62-F66 WeakPolarHBondContact O-CD2 3.21Å; L62-F66 PolarHBondContact O-N 2.87Å; L62-V85 HydrophobicContact CD1-CG1 4.08Å; L62-L89 HydrophobicContact CD1-CD2 4.48Å; L62-L89 HydrophobicContact CD2-CD2 4.06Å; L62-V122 HydrophobicContact CD1-CG1 4.01Å; L62-V122 HydrophobicContact CD2-CG1 3.51Å; L62-V122 HydrophobicContact CG-CG1 4.26Å; L62-I126 HydrophobicContact CD2-CD1 3.44Å; L62-I126 VanDerWaalsContact CD2-CD1 3.44Å |
| 63 | S | 69.1 | Low | 63.8 | Low | 77 Ų | 77 | 81 Ų | 81 | 54% | 0.538 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -56.8 | -39.8 | 174.9 | 177.6 | 0 | 0 | 0 | 0 | 112.2 | M59 I65 F66 S67 | M59-S63 WeakPolarHBondContact O-CB 3.39Å; M59-S63 PolarHBondContact O-N 3Å; S63-I65 PolarHBondContact O-N 3.46Å; S63-F66 PolarHBondContact O-N 3.2Å; S63-S67 WeakPolarHBondContact O-CB 3.3Å; S63-S67 PolarHBondContact O-N 3.42Å |
| 64 | S | 72.3 | Confident | 64.9 | Low | 74 Ų | 74 | 79.1 Ų | 79.1 | 52% | 0.517 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 176.9 | -57.4 | 0 | 0 | 0 | 0 | 112 | L60 R61 L62 S67 V68 | L60-S64 PolarHBondContact O-N 3.48Å; L60-S64 VanDerWaalsContact O-N 3.12Å; L60-S64 PolarHBondContact O-OG 2.87Å; R61-S64 WeakPolarHBondContact O-CB 3.38Å; R61-S64 PolarHBondContact O-N 3.27Å; L62-S64 VanDerWaalsContact C-N 3.25Å; L62-S64 PolarHBondContact O-N 2.73Å; S64-S67 PolarHBondContact O-N 2.93Å; S64-V68 WeakPolarHBondContact O-CG2 3.21Å; S64-V68 PolarHBondContact O-N 3.37Å; S64-V68 VanDerWaalsContact O-N 3.14Å |
| 65 | I | 70.2 | Confident | 65.9 | Low | 16 Ų | 16 | 80.8 Ų | 80.8 | 8% | 0.082 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.3 | -46.9 | 178.3 | -66.6 | 161.1 | 0 | 0 | 0 | 110.8 | R61 L62 S63 S67 V68 L69 L84 V85 A88 | R61-I65 WeakPolarHBondContact O-CG1 3.36Å; R61-I65 PolarHBondContact O-N 2.9Å; R61-I65 VanDerWaalsContact O-N 3.17Å; L62-I65 PolarHBondContact O-N 3.42Å; L62-I65 VanDerWaalsContact O-N 3.11Å; S63-I65 PolarHBondContact O-N 3.46Å; I65-S67 VanDerWaalsContact C-N 3.27Å; I65-S67 PolarHBondContact O-N 3.04Å; I65-V68 PolarHBondContact O-N 3.06Å; I65-V68 VanDerWaalsContact O-N 3.12Å; I65-L69 HydrophobicContact CG2-CD1 3.92Å; I65-L69 HydrophobicContact CG2-CG 4.22Å; I65-L69 WeakPolarHBondContact O-CG 3.13Å; I65-L69 PolarHBondContact O-N 3.31Å; I65-L84 HydrophobicContact CB-CD2 4.48Å; I65-L84 HydrophobicContact CD1-CD1 4.33Å; I65-L84 HydrophobicContact CD1-CD2 4.44Å; I65-L84 HydrophobicContact CD1-CG 3.76Å; I65-L84 WeakPolarHBondContact CD1-O 3.46Å; I65-L84 HydrophobicContact CG1-CD1 4.48Å; I65-L84 HydrophobicContact CG1-CD2 3.93Å; I65-L84 HydrophobicContact CG1-CG 3.8Å; I65-L84 HydrophobicContact CG2-CD2 3.89Å; I65-L84 HydrophobicContact CG2-CG 4.07Å; I65-V85 HydrophobicContact CG2-CG2 3.69Å; I65-A88 HydrophobicContact CD1-CB 3.26Å |
| 66 | F | 69.9 | Low | 67 | Low | 35 Ų | 35 | 78.6 Ų | 78.6 | 15% | 0.154 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.7 | -38 | 176.7 | -83.5 | -70.8 | 0 | 0 | 0 | 112.5 | L62 S63 V68 L69 A70 F115 L118 C119 V122 | L62-F66 HydrophobicContact CD1-CD2 3.9Å; L62-F66 HydrophobicContact CD1-CE2 3.5Å; L62-F66 VanDerWaalsContact CD1-CE2 3.5Å; L62-F66 HydrophobicContact CD2-CD2 4.47Å; L62-F66 HydrophobicContact CD2-CE2 3.97Å; L62-F66 HydrophobicContact CG-CD2 3.69Å; L62-F66 HydrophobicContact CG-CE2 3.52Å; L62-F66 VanDerWaalsContact O-CD2 3.3Å; L62-F66 WeakPolarHBondContact O-CD2 3.21Å; L62-F66 PolarHBondContact O-N 2.87Å; S63-F66 PolarHBondContact O-N 3.2Å; F66-V68 VanDerWaalsContact C-N 3.34Å; F66-V68 PolarHBondContact O-N 3.1Å; F66-L69 PolarHBondContact O-N 2.96Å; F66-A70 VanDerWaalsContact O-CB 3.22Å; F66-A70 WeakPolarHBondContact O-CB 3.45Å; F66-A70 PolarHBondContact O-N 3.22Å; F66-F115 AromaticContact CD1-CE2 3.58Å; F66-F115 HydrophobicContact CD1-CE2 3.58Å; F66-F115 AromaticContact CD1-CZ 3.6Å; F66-F115 HydrophobicContact CD1-CZ 3.6Å; F66-F115 HydrophobicContact CE1-CE2 4.2Å; F66-F115 HydrophobicContact CE1-CZ 4.25Å; F66-L118 HydrophobicContact CE1-CD2 4.48Å; F66-L118 HydrophobicContact CE1-CG 4.5Å; F66-C119 WeakPolarHBondContact CE1-SG 3.48Å; F66-V122 HydrophobicContact CE2-CB 4.32Å; F66-V122 HydrophobicContact CE2-CG1 3.84Å; F66-V122 HydrophobicContact CE2-CG2 4.38Å; F66-V122 HydrophobicContact CZ-CB 3.9Å; F66-V122 HydrophobicContact CZ-CG1 3.95Å; F66-V122 HydrophobicContact CZ-CG2 3.85Å |
| 67 | S | 72.7 | Confident | 67.9 | Low | 73 Ų | 73 | 74.5 Ų | 74.5 | 51% | 0.51 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 174.4 | -172.4 | 0 | 0 | 0 | 0 | 111.7 | S63 S64 I65 A70 Q71 | S63-S67 WeakPolarHBondContact O-CB 3.3Å; S63-S67 PolarHBondContact O-N 3.42Å; S64-S67 PolarHBondContact O-N 2.93Å; I65-S67 VanDerWaalsContact C-N 3.27Å; I65-S67 PolarHBondContact O-N 3.04Å; S67-A70 PolarHBondContact O-N 3.2Å; S67-Q71 VanDerWaalsContact O-CB 3.26Å; S67-Q71 WeakPolarHBondContact O-CB 3.34Å; S67-Q71 PolarHBondContact O-N 3.38Å |
| 68 | V | 71.7 | Confident | 68.7 | Low | 70 Ų | 70 | 75.7 Ų | 75.7 | 42% | 0.424 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65 | -44.6 | 176 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | S64 I65 F66 A70 Q71 H72 | S64-V68 WeakPolarHBondContact O-CG2 3.21Å; S64-V68 PolarHBondContact O-N 3.37Å; S64-V68 VanDerWaalsContact O-N 3.14Å; I65-V68 PolarHBondContact O-N 3.06Å; I65-V68 VanDerWaalsContact O-N 3.12Å; F66-V68 VanDerWaalsContact C-N 3.34Å; F66-V68 PolarHBondContact O-N 3.1Å; V68-A70 PolarHBondContact O-N 3.07Å; V68-Q71 PolarHBondContact O-N 3.1Å; V68-H72 PolarHBondContact O-CD2 2.87Å; V68-H72 PolarHBondContact O-N 3.47Å |
| 69 | L | 66.2 | Low | 69.6 | Low | 6 Ų | 6 | 73.7 Ų | 73.7 | 3% | 0.031 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 178 | -67.3 | 176.9 | 0 | 0 | 0 | 111.8 | I65 F66 D81 V85 F115 L118 | I65-L69 HydrophobicContact CG2-CD1 3.92Å; I65-L69 HydrophobicContact CG2-CG 4.22Å; I65-L69 WeakPolarHBondContact O-CG 3.13Å; I65-L69 PolarHBondContact O-N 3.31Å; F66-L69 PolarHBondContact O-N 2.96Å; L69-D81 HydrophobicContact CD2-CB 3.68Å; L69-D81 VanDerWaalsContact CD2-CG 3.48Å; L69-D81 VanDerWaalsContact CD2-OD1 3.27Å; L69-D81 WeakPolarHBondContact CD2-OD1 3.46Å; L69-V85 HydrophobicContact CD1-CG2 4.21Å; L69-F115 HydrophobicContact CB-CD2 4.25Å; L69-F115 HydrophobicContact CB-CE2 3.97Å; L69-L118 HydrophobicContact CD1-CD2 3.69Å |
| 70 | A | 66.2 | Low | 70.6 | Confident | 44 Ų | 44 | 70.2 Ų | 70.2 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.1 | -42.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F66 S67 V68 H72 H73 F115 | F66-A70 VanDerWaalsContact O-CB 3.22Å; F66-A70 WeakPolarHBondContact O-CB 3.45Å; F66-A70 PolarHBondContact O-N 3.22Å; S67-A70 PolarHBondContact O-N 3.2Å; V68-A70 PolarHBondContact O-N 3.07Å; A70-H72 VanDerWaalsContact C-N 3.25Å; A70-H72 PolarHBondContact O-N 3.39Å; A70-H73 PolarHBondContact O-N 2.71Å; A70-F115 HydrophobicContact CB-CE2 4.36Å; A70-F115 HydrophobicContact CB-CZ 4.32Å |
| 71 | Q | 63.3 | Low | 71.2 | Confident | 150 Ų | 150 | 65.6 Ų | 65.6 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.8 | -34.8 | -179.3 | -175.3 | 177.4 | 1.8 | 0 | 0 | 112.3 | S67 V68 H73 | S67-Q71 VanDerWaalsContact O-CB 3.26Å; S67-Q71 WeakPolarHBondContact O-CB 3.34Å; S67-Q71 PolarHBondContact O-N 3.38Å; V68-Q71 PolarHBondContact O-N 3.1Å; Q71-H73 VanDerWaalsContact C-N 3.25Å; Q71-H73 PolarHBondContact O-N 2.93Å |
| 72 | H | 63.6 | Low | 71.7 | Confident | 120 Ų | 120 | 60 Ų | 60 | 56% | 0.556 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -5.4 | 177.6 | -72.6 | -59.7 | 0 | 0 | 0 | 113.9 | V68 A70 K74 | V68-H72 PolarHBondContact O-CD2 2.87Å; V68-H72 PolarHBondContact O-N 3.47Å; A70-H72 VanDerWaalsContact C-N 3.25Å; A70-H72 PolarHBondContact O-N 3.39Å; H72-K74 HydrophobicContact CB-CG 3.89Å; H72-K74 PolarHBondContact O-N 2.83Å |
| 73 | H | 52.5 | Low | 72.5 | Confident | 173 Ų | 173 | 61.4 Ų | 61.4 | 80% | 0.801 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40 | 42.6 | -174.6 | -78.6 | -82.5 | 0 | 0 | 0 | 111.6 | A70 Q71 S75 | A70-H73 PolarHBondContact O-N 2.71Å; Q71-H73 VanDerWaalsContact C-N 3.25Å; Q71-H73 PolarHBondContact O-N 2.93Å; H73-S75 PolarHBondContact O-N 3.43Å |
| 74 | K | 61.1 | Low | 73.2 | Confident | 84 Ų | 84 | 61.7 Ų | 61.7 | 37% | 0.365 | 36% | 0.356 | S | S | . | . | trans | -66.5 | 113.9 | 178.5 | -69.9 | -174.2 | -176.4 | 176.2 | 0 | 106.6 | H72 V76 D81 | H72-K74 HydrophobicContact CB-CG 3.89Å; H72-K74 PolarHBondContact O-N 2.83Å; K74-V76 PolarHBondContact O-N 2.99Å; K74-D81 IonicContact NZ-OD1 2.85Å; K74-D81 PolarHBondContact NZ-OD1 3.36Å; K74-D81 IonicContact NZ-OD2 3.18Å; K74-D81 PolarHBondContact NZ-OD2 3.26Å | ||
| 75 | S | 68.7 | Low | 73.5 | Confident | 104 Ų | 104 | 58.1 Ų | 58.1 | 73% | 0.727 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -67.5 | -11.9 | 171.9 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | H73 | H73-S75 PolarHBondContact O-N 3.43Š|
| 76 | V | 76.1 | Confident | 74.1 | Confident | 54 Ų | 54 | 57.4 Ų | 57.4 | 33% | 0.327 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -133.7 | 120.2 | -179.9 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | K74 K112 | K74-V76 PolarHBondContact O-N 2.99Å; V76-K112 HydrophobicContact CG1-CB 4.18Å; V76-K112 HydrophobicContact CG1-CG 4.32Å; V76-K112 HydrophobicContact CG2-CB 4.49Å; V76-K112 HydrophobicContact CG2-CD 3.97Å; V76-K112 HydrophobicContact CG2-CG 4.33Å |
| 77 | I | 78 | Confident | 74.7 | Confident | 9 Ų | 9 | 64.2 Ų | 64.2 | 5% | 0.046 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -77.3 | 128.3 | 169.2 | -60.2 | -58 | 0 | 0 | 0 | 108 | D81 I82 L113 D114 F115 L118 | I77-D81 HydrophobicContact CG2-CB 3.9Å; I77-I82 HydrophobicContact CG2-CD1 4.39Å; I77-I82 HydrophobicContact CG2-CG1 3.84Å; I77-L113 HydrophobicContact CB-CB 3.83Å; I77-L113 WeakPolarHBondContact CB-O 3.49Å; I77-L113 WeakPolarHBondContact CG1-O 3.49Å; I77-L113 HydrophobicContact CG2-CB 4.33Å; I77-L113 PolarHBondContact N-O 3.11Å; I77-D114 WeakPolarHBondContact CG1-O 3.46Å; I77-F115 HydrophobicContact CD1-CD2 4.47Å; I77-L118 HydrophobicContact CD1-CD2 3.96Å; I77-L118 HydrophobicContact CG1-CB 4.41Å; I77-L118 HydrophobicContact CG1-CD2 4.16Å; I77-L118 HydrophobicContact CG2-CD2 3.94Å |
| 78 | T | 83.7 | Confident | 74.8 | Confident | 66 Ų | 66 | 61 Ų | 61 | 41% | 0.405 | 33% | 0.329 | S | S | . | . | trans | -93.8 | 160.6 | 178 | 66.4 | 0 | 0 | 0 | 0 | 111.3 | G80 D81 I82 | T78-G80 PolarHBondContact O-N 3.1Å; T78-G80 VanDerWaalsContact O-N 3.12Å; T78-D81 WeakPolarHBondContact CB-OD2 3.44Å; T78-D81 PolarHBondContact N-OD2 2.95Å; T78-D81 WeakPolarHBondContact O-CA 3.32Å; T78-D81 WeakPolarHBondContact O-CB 3.47Å; T78-D81 PolarHBondContact O-N 3.27Å; T78-D81 PolarHBondContact OG1-N 2.88Å; T78-D81 PolarHBondContact OG1-OD2 3.49Å; T78-I82 PolarHBondContact O-N 3.31Å | ||
| 79 | A | 84.4 | Confident | 74.9 | Confident | 34 Ų | 34 | 58 Ų | 58 | 28% | 0.281 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -51.8 | -34.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I82 L83 L98 I102 | A79-I82 PolarHBondContact O-N 3.11Å; A79-L83 WeakPolarHBondContact O-CG 3.44Å; A79-L83 PolarHBondContact O-N 3.34Å; A79-L98 HydrophobicContact CB-CD2 3.93Å; A79-L98 HydrophobicContact CB-CG 4.42Å; A79-I102 HydrophobicContact CB-CD1 3.67Å |
| 80 | G | 84.3 | Confident | 75.5 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 44% | 0.443 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.2 | -33.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | T78 L84 | T78-G80 PolarHBondContact O-N 3.1Å; T78-G80 VanDerWaalsContact O-N 3.12Å; G80-L84 PolarHBondContact O-N 2.94Å; G80-L84 VanDerWaalsContact O-N 3.12Å |
| 81 | D | 82.3 | Confident | 76.1 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 8% | 0.075 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.8 | -40.2 | 175.5 | -61.4 | -51.6 | 0 | 0 | 0 | 110.2 | L69 K74 I77 T78 L84 V85 | L69-D81 HydrophobicContact CD2-CB 3.68Å; L69-D81 VanDerWaalsContact CD2-CG 3.48Å; L69-D81 VanDerWaalsContact CD2-OD1 3.27Å; L69-D81 WeakPolarHBondContact CD2-OD1 3.46Å; K74-D81 IonicContact NZ-OD1 2.85Å; K74-D81 PolarHBondContact NZ-OD1 3.36Å; K74-D81 IonicContact NZ-OD2 3.18Å; K74-D81 PolarHBondContact NZ-OD2 3.26Å; I77-D81 HydrophobicContact CG2-CB 3.9Å; T78-D81 WeakPolarHBondContact CB-OD2 3.44Å; T78-D81 PolarHBondContact N-OD2 2.95Å; T78-D81 WeakPolarHBondContact O-CA 3.32Å; T78-D81 WeakPolarHBondContact O-CB 3.47Å; T78-D81 PolarHBondContact O-N 3.27Å; T78-D81 PolarHBondContact OG1-N 2.88Å; T78-D81 PolarHBondContact OG1-OD2 3.49Å; D81-L84 WeakPolarHBondContact O-CB 3.28Å; D81-L84 PolarHBondContact O-N 2.86Å; D81-V85 WeakPolarHBondContact O-CG2 3.43Å; D81-V85 PolarHBondContact O-N 2.86Å; D81-V85 VanDerWaalsContact O-N 3.08Å |
| 82 | I | 81.5 | Confident | 77 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 175.1 | -61.4 | 165.8 | 0 | 0 | 0 | 111 | I77 T78 A79 L84 V85 M86 L98 L101 I102 L105 L113 L118 | I77-I82 HydrophobicContact CG2-CD1 4.39Å; I77-I82 HydrophobicContact CG2-CG1 3.84Å; T78-I82 PolarHBondContact O-N 3.31Å; A79-I82 PolarHBondContact O-N 3.11Å; I82-L84 PolarHBondContact O-N 3.31Å; I82-V85 WeakPolarHBondContact O-CB 3.47Å; I82-V85 PolarHBondContact O-N 2.95Å; I82-V85 VanDerWaalsContact O-N 3.14Å; I82-M86 HydrophobicContact CG2-CE 3.88Å; I82-M86 HydrophobicContact CG2-CG 4.25Å; I82-M86 VanDerWaalsContact O-CG 3.28Å; I82-M86 WeakPolarHBondContact O-CG 3.3Å; I82-M86 PolarHBondContact O-N 2.88Å; I82-L98 HydrophobicContact CB-CD1 4.04Å; I82-L98 HydrophobicContact CG2-CD1 3.73Å; I82-L101 HydrophobicContact CG2-CD2 3.5Å; I82-I102 HydrophobicContact CD1-CD1 4.16Å; I82-I102 HydrophobicContact CD1-CG1 3.45Å; I82-I102 VanDerWaalsContact CD1-CG1 3.45Å; I82-L105 HydrophobicContact CD1-CD1 4.09Å; I82-L105 HydrophobicContact CG1-CD1 4.49Å; I82-L113 HydrophobicContact CD1-CD1 3.36Å; I82-L113 HydrophobicContact CG1-CD1 4.47Å; I82-L118 HydrophobicContact CG1-CD1 4.32Å |
| 83 | L | 84.6 | Confident | 77.9 | Confident | 43 Ų | 43 | 53 Ų | 53 | 23% | 0.225 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.9 | -38.4 | 176.1 | -78.3 | 172.4 | 0 | 0 | 0 | 112.4 | A79 R87 L93 L98 | A79-L83 WeakPolarHBondContact O-CG 3.44Å; A79-L83 PolarHBondContact O-N 3.34Å; L83-R87 WeakPolarHBondContact O-CB 3.44Å; L83-R87 VanDerWaalsContact O-CG 3.27Å; L83-R87 WeakPolarHBondContact O-CG 3.32Å; L83-R87 PolarHBondContact O-N 3.24Å; L83-R87 VanDerWaalsContact O-N 3.07Å; L83-L93 HydrophobicContact CD2-CB 4.31Å; L83-L98 HydrophobicContact CD1-CD2 3.66Å; L83-L98 HydrophobicContact CD2-CD1 4.2Å; L83-L98 HydrophobicContact CD2-CD2 3.93Å; L83-L98 HydrophobicContact CG-CD1 4.03Å; L83-L98 HydrophobicContact CG-CD2 3.61Å; L83-L98 HydrophobicContact CG-CG 4.43Å |
| 84 | L | 83.7 | Confident | 79.5 | Confident | 82 Ų | 82 | 48.4 Ų | 48.4 | 43% | 0.429 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.9 | -45 | 177.6 | -174 | 64.1 | 0 | 0 | 0 | 111.2 | I65 G80 D81 I82 R87 A88 | I65-L84 HydrophobicContact CB-CD2 4.48Å; I65-L84 HydrophobicContact CD1-CD1 4.33Å; I65-L84 HydrophobicContact CD1-CD2 4.44Å; I65-L84 HydrophobicContact CD1-CG 3.76Å; I65-L84 WeakPolarHBondContact CD1-O 3.46Å; I65-L84 HydrophobicContact CG1-CD1 4.48Å; I65-L84 HydrophobicContact CG1-CD2 3.93Å; I65-L84 HydrophobicContact CG1-CG 3.8Å; I65-L84 HydrophobicContact CG2-CD2 3.89Å; I65-L84 HydrophobicContact CG2-CG 4.07Å; G80-L84 PolarHBondContact O-N 2.94Å; G80-L84 VanDerWaalsContact O-N 3.12Å; D81-L84 WeakPolarHBondContact O-CB 3.28Å; D81-L84 PolarHBondContact O-N 2.86Å; I82-L84 PolarHBondContact O-N 3.31Å; L84-R87 PolarHBondContact O-N 2.91Å; L84-A88 PolarHBondContact O-N 2.63Å; L84-A88 VanDerWaalsContact O-N 3.15Å |
| 85 | V | 79.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 174.9 | 166.7 | 0 | 0 | 0 | 0 | 111.5 | L62 I65 L69 D81 I82 R87 A88 L89 L118 V122 | L62-V85 HydrophobicContact CD1-CG1 4.08Å; I65-V85 HydrophobicContact CG2-CG2 3.69Å; L69-V85 HydrophobicContact CD1-CG2 4.21Å; D81-V85 WeakPolarHBondContact O-CG2 3.43Å; D81-V85 PolarHBondContact O-N 2.86Å; D81-V85 VanDerWaalsContact O-N 3.08Å; I82-V85 WeakPolarHBondContact O-CB 3.47Å; I82-V85 PolarHBondContact O-N 2.95Å; I82-V85 VanDerWaalsContact O-N 3.14Å; V85-R87 PolarHBondContact O-N 3.44Å; V85-A88 WeakPolarHBondContact O-CB 3.43Å; V85-A88 PolarHBondContact O-N 3.27Å; V85-A88 VanDerWaalsContact O-N 3.1Å; V85-L89 HydrophobicContact CG1-CD1 4.36Å; V85-L89 PolarHBondContact O-N 3Å; V85-L89 VanDerWaalsContact O-N 3.07Å; V85-L118 HydrophobicContact CG1-CD1 4.41Å; V85-L118 HydrophobicContact CG2-CD1 4.44Å; V85-L118 HydrophobicContact CG2-CD2 4.18Å; V85-V122 HydrophobicContact CG1-CG2 3.27Å |
| 86 | M | 81.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60 | -45.2 | 179.7 | -68.3 | -63.8 | 160.3 | 0 | 0 | 112.2 | I82 A88 L89 G90 D91 L93 L101 F121 | I82-M86 HydrophobicContact CG2-CE 3.88Å; I82-M86 HydrophobicContact CG2-CG 4.25Å; I82-M86 VanDerWaalsContact O-CG 3.28Å; I82-M86 WeakPolarHBondContact O-CG 3.3Å; I82-M86 PolarHBondContact O-N 2.88Å; M86-A88 VanDerWaalsContact C-N 3.25Å; M86-A88 PolarHBondContact O-N 2.96Å; M86-L89 CarbonylContact O-C 3.45Å; M86-L89 WeakPolarHBondContact O-CA 3.48Å; M86-L89 WeakPolarHBondContact O-CB 3.45Å; M86-L89 PolarHBondContact O-N 3.25Å; M86-G90 PolarHBondContact O-N 3.35Å; M86-D91 CarbonylContact C-O 3.25Å; M86-D91 VanDerWaalsContact C-O 3.25Å; M86-D91 HydrophobicContact CB-CB 4.25Å; M86-D91 PolarHBondContact O-N 3.12Å; M86-D91 HydrophobicContact SD-CB 4.48Å; M86-L93 HydrophobicContact CB-CD1 4.37Å; M86-L93 HydrophobicContact CB-CG 4.33Å; M86-L93 HydrophobicContact CE-CD1 4.39Å; M86-L93 HydrophobicContact CG-CD1 3.59Å; M86-L93 HydrophobicContact CG-CG 4.04Å; M86-L93 HydrophobicContact SD-CD1 4.13Å; M86-L101 HydrophobicContact CE-CD1 4.44Å; M86-L101 HydrophobicContact CE-CD2 3.13Å; M86-L101 HydrophobicContact CE-CG 4.37Å; M86-L101 HydrophobicContact SD-CD2 4.31Å; M86-F121 HydrophobicContact CE-CD1 4.11Å; M86-F121 HydrophobicContact CE-CE1 3.09Å; M86-F121 HydrophobicContact CE-CZ 3.47Å; M86-F121 VanDerWaalsContact CE-CZ 3.47Å; M86-F121 HydrophobicContact SD-CE1 4.19Å; M86-F121 HydrophobicContact SD-CZ 4.42Å |
| 87 | R | 82.6 | Confident | 81.7 | Confident | 178 Ų | 178 | 50.1 Ų | 50.1 | 67% | 0.672 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.3 | -35 | 176.7 | -74.1 | 175.5 | 178.5 | 179 | 2 | 112.3 | L83 L84 V85 G90 D91 | L83-R87 WeakPolarHBondContact O-CB 3.44Å; L83-R87 VanDerWaalsContact O-CG 3.27Å; L83-R87 WeakPolarHBondContact O-CG 3.32Å; L83-R87 PolarHBondContact O-N 3.24Å; L83-R87 VanDerWaalsContact O-N 3.07Å; L84-R87 PolarHBondContact O-N 2.91Å; V85-R87 PolarHBondContact O-N 3.44Å; R87-G90 PolarHBondContact O-N 3.01Å; R87-G90 VanDerWaalsContact O-N 3.1Å; R87-D91 WeakPolarHBondContact CA-O 3.33Å; R87-D91 PolarHBondContact N-O 2.72Å |
| 88 | A | 75.9 | Confident | 82 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.4 | -33.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R61 I65 L84 V85 M86 G90 | R61-A88 HydrophobicContact CB-CB 3.9Å; I65-A88 HydrophobicContact CD1-CB 3.26Å; L84-A88 PolarHBondContact O-N 2.63Å; L84-A88 VanDerWaalsContact O-N 3.15Å; V85-A88 WeakPolarHBondContact O-CB 3.43Å; V85-A88 PolarHBondContact O-N 3.27Å; V85-A88 VanDerWaalsContact O-N 3.1Å; M86-A88 VanDerWaalsContact C-N 3.25Å; M86-A88 PolarHBondContact O-N 2.96Å; A88-G90 PolarHBondContact O-N 2.84Å |
| 89 | L | 73.5 | Confident | 82 | Confident | 9 Ų | 9 | 51.2 Ų | 51.2 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -6.2 | 169.4 | -64.6 | 176.1 | 0 | 0 | 0 | 113.1 | L62 V85 M86 V122 R125 I126 K129 | L62-L89 HydrophobicContact CD1-CD2 4.48Å; L62-L89 HydrophobicContact CD2-CD2 4.06Å; V85-L89 HydrophobicContact CG1-CD1 4.36Å; V85-L89 PolarHBondContact O-N 3Å; V85-L89 VanDerWaalsContact O-N 3.07Å; M86-L89 CarbonylContact O-C 3.45Å; M86-L89 WeakPolarHBondContact O-CA 3.48Å; M86-L89 WeakPolarHBondContact O-CB 3.45Å; M86-L89 PolarHBondContact O-N 3.25Å; L89-V122 HydrophobicContact CD1-CG1 4.41Å; L89-R125 HydrophobicContact CD1-CG 4.43Å; L89-I126 HydrophobicContact CD2-CD1 4.01Å; L89-I126 HydrophobicContact CD2-CG1 3.55Å; L89-K129 PolarHBondContact O-NZ 3.32Å |
| 90 | G | 77.3 | Confident | 82 | Confident | 55 Ų | 55 | 54.5 Ų | 54.5 | 57% | 0.567 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | 8.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | M86 R87 A88 | M86-G90 PolarHBondContact O-N 3.35Å; R87-G90 PolarHBondContact O-N 3.01Å; R87-G90 VanDerWaalsContact O-N 3.1Å; A88-G90 PolarHBondContact O-N 2.84Å |
| 91 | D | 80.6 | Confident | 81.8 | Confident | 32 Ų | 32 | 52.8 Ų | 52.8 | 17% | 0.171 | 30% | 0.296 | C | S | . | . | trans | -90.8 | 140.1 | 175.7 | -70 | -22.7 | 0 | 0 | 0 | 111.1 | M86 R87 R125 K129 | M86-D91 CarbonylContact C-O 3.25Å; M86-D91 VanDerWaalsContact C-O 3.25Å; M86-D91 HydrophobicContact CB-CB 4.25Å; M86-D91 PolarHBondContact O-N 3.12Å; M86-D91 HydrophobicContact SD-CB 4.48Å; R87-D91 WeakPolarHBondContact CA-O 3.33Å; R87-D91 PolarHBondContact N-O 2.72Å; D91-R125 IonicContact OD2-CZ 2.63Å; D91-R125 IonicContact OD2-NE 2.86Å; D91-R125 PolarHBondContact OD2-NE 2.98Å; D91-R125 IonicContact OD2-NH2 3.35Å; D91-R125 PolarHBondContact OD2-NH2 3.12Å; D91-K129 WeakPolarHBondContact OD1-CE 3.44Å; D91-K129 IonicContact OD1-NZ 2.64Å; D91-K129 PolarHBondContact OD1-NZ 2.86Å; D91-K129 WeakPolarHBondContact OD2-CE 3.34Å; D91-K129 IonicContact OD2-NZ 2.88Å; D91-K129 PolarHBondContact OD2-NZ 2.98Å | ||
| 92 | A | 82.1 | Confident | 81.7 | Confident | 90 Ų | 90 | 53.9 Ų | 53.9 | 74% | 0.744 | 30% | 0.301 | S | S | * | . | trans | -111 | 117.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 93 | L | 82.3 | Confident | 81.7 | Confident | 36 Ų | 36 | 60.4 Ų | 60.4 | 19% | 0.188 | 33% | 0.33 | C | S | . | . | trans | -98.2 | 141.1 | 174.6 | -58.1 | -176.4 | 0 | 0 | 0 | 110 | L83 M86 E97 L98 L101 | L83-L93 HydrophobicContact CD2-CB 4.31Å; M86-L93 HydrophobicContact CB-CD1 4.37Å; M86-L93 HydrophobicContact CB-CG 4.33Å; M86-L93 HydrophobicContact CE-CD1 4.39Å; M86-L93 HydrophobicContact CG-CD1 3.59Å; M86-L93 HydrophobicContact CG-CG 4.04Å; M86-L93 HydrophobicContact SD-CD1 4.13Å; L93-E97 HydrophobicContact CB-CB 4.27Å; L93-E97 HydrophobicContact CD2-CB 4.21Å; L93-L98 HydrophobicContact CD1-CD1 4.34Å; L93-L101 HydrophobicContact CD1-CD2 3.55Å | ||
| 94 | T | 85.4 | Confident | 81.5 | Confident | 78 Ų | 78 | 65 Ų | 65 | 48% | 0.479 | 35% | 0.35 | S | S | . | . | trans | -73.6 | 166.1 | 161.9 | 62.3 | 0 | 0 | 0 | 0 | 110.6 | A96 E97 L98 | T94-A96 PolarHBondContact O-N 2.79Å; T94-E97 WeakPolarHBondContact CB-OE2 3.38Å; T94-E97 WeakPolarHBondContact CG2-OE2 3.43Å; T94-E97 PolarHBondContact N-OE2 3.41Å; T94-E97 PolarHBondContact O-N 3.25Å; T94-E97 VanDerWaalsContact OG1-CD 3.26Å; T94-E97 VanDerWaalsContact OG1-CG 3.28Å; T94-E97 WeakPolarHBondContact OG1-CG 3.46Å; T94-E97 PolarHBondContact OG1-N 3.01Å; T94-E97 PolarHBondContact OG1-OE2 2.93Å; T94-L98 WeakPolarHBondContact O-CB 3.47Å; T94-L98 PolarHBondContact O-N 3.43Å | ||
| 95 | E | 83.8 | Confident | 81.1 | Confident | 122 Ų | 122 | 61.5 Ų | 61.5 | 57% | 0.57 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.6 | -36.7 | 176.6 | -171.9 | 60.7 | -150.4 | 0 | 0 | 111.8 | L98 Q99 | E95-L98 PolarHBondContact O-N 3.32Å; E95-Q99 WeakPolarHBondContact O-CG 3.37Å; E95-Q99 PolarHBondContact O-N 3.38Å; E95-Q99 VanDerWaalsContact O-N 3.11Å; E95-Q99 PolarHBondContact OE1-NE2 2.92Å; E95-Q99 VanDerWaalsContact OE1-NE2 3.12Å |
| 96 | A | 83.7 | Confident | 81.1 | Confident | 63 Ų | 63 | 62.6 Ų | 62.6 | 52% | 0.521 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.5 | -49.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T94 L98 Q99 D100 | T94-A96 PolarHBondContact O-N 2.79Å; A96-L98 PolarHBondContact O-N 3.38Å; A96-Q99 PolarHBondContact O-N 2.78Å; A96-Q99 VanDerWaalsContact O-N 3.12Å; A96-D100 PolarHBondContact O-N 3.24Å |
| 97 | E | 84.5 | Confident | 80.7 | Confident | 92 Ų | 92 | 68.1 Ų | 68.1 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.4 | -31 | 177.9 | -68 | 162.3 | 145.4 | 0 | 0 | 112.3 | L93 T94 L101 | L93-E97 HydrophobicContact CB-CB 4.27Å; L93-E97 HydrophobicContact CD2-CB 4.21Å; T94-E97 WeakPolarHBondContact CB-OE2 3.38Å; T94-E97 WeakPolarHBondContact CG2-OE2 3.43Å; T94-E97 PolarHBondContact N-OE2 3.41Å; T94-E97 PolarHBondContact O-N 3.25Å; T94-E97 VanDerWaalsContact OG1-CD 3.26Å; T94-E97 VanDerWaalsContact OG1-CG 3.28Å; T94-E97 WeakPolarHBondContact OG1-CG 3.46Å; T94-E97 PolarHBondContact OG1-N 3.01Å; T94-E97 PolarHBondContact OG1-OE2 2.93Å; E97-L101 WeakPolarHBondContact O-CB 3.02Å; E97-L101 PolarHBondContact O-N 3.41Å |
| 98 | L | 83.5 | Confident | 80.5 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 174.4 | 180 | 63.2 | 0 | 0 | 0 | 111.8 | A79 I82 L83 L93 T94 E95 A96 L101 I102 | A79-L98 HydrophobicContact CB-CD2 3.93Å; A79-L98 HydrophobicContact CB-CG 4.42Å; I82-L98 HydrophobicContact CB-CD1 4.04Å; I82-L98 HydrophobicContact CG2-CD1 3.73Å; L83-L98 HydrophobicContact CD1-CD2 3.66Å; L83-L98 HydrophobicContact CD2-CD1 4.2Å; L83-L98 HydrophobicContact CD2-CD2 3.93Å; L83-L98 HydrophobicContact CG-CD1 4.03Å; L83-L98 HydrophobicContact CG-CD2 3.61Å; L83-L98 HydrophobicContact CG-CG 4.43Å; L93-L98 HydrophobicContact CD1-CD1 4.34Å; T94-L98 WeakPolarHBondContact O-CB 3.47Å; T94-L98 PolarHBondContact O-N 3.43Å; E95-L98 PolarHBondContact O-N 3.32Å; A96-L98 PolarHBondContact O-N 3.38Å; L98-L101 PolarHBondContact O-N 3.32Å; L98-I102 HydrophobicContact CD1-CD1 4.22Å; L98-I102 HydrophobicContact CD1-CG1 4.48Å; L98-I102 HydrophobicContact CG-CD1 4Å; L98-I102 WeakPolarHBondContact O-CB 3.18Å; L98-I102 WeakPolarHBondContact O-CD1 3.32Å; L98-I102 WeakPolarHBondContact O-CG1 3.4Å; L98-I102 PolarHBondContact O-N 2.92Å |
| 99 | Q | 84.5 | Confident | 80.8 | Confident | 98 Ų | 98 | 73.3 Ų | 73.3 | 46% | 0.458 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.3 | -43.8 | 177.5 | -66.6 | -62.5 | -29.6 | 0 | 0 | 111.5 | E95 A96 L101 I102 F103 | E95-Q99 WeakPolarHBondContact O-CG 3.37Å; E95-Q99 PolarHBondContact O-N 3.38Å; E95-Q99 VanDerWaalsContact O-N 3.11Å; E95-Q99 PolarHBondContact OE1-NE2 2.92Å; E95-Q99 VanDerWaalsContact OE1-NE2 3.12Å; A96-Q99 PolarHBondContact O-N 2.78Å; A96-Q99 VanDerWaalsContact O-N 3.12Å; Q99-L101 VanDerWaalsContact C-N 3.3Å; Q99-L101 PolarHBondContact O-N 2.84Å; Q99-I102 PolarHBondContact O-N 3.29Å; Q99-F103 PolarHBondContact O-N 3.5Å |
| 100 | D | 84.8 | Confident | 81.2 | Confident | 102 Ų | 102 | 77 Ų | 77 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 175.8 | -68.4 | -22.8 | 0 | 0 | 0 | 110.5 | A96 F103 E104 | A96-D100 PolarHBondContact O-N 3.24Å; D100-F103 WeakPolarHBondContact O-CB 3.49Å; D100-F103 PolarHBondContact O-N 3.45Å; D100-E104 WeakPolarHBondContact O-CG 3.23Å; D100-E104 PolarHBondContact O-N 2.92Å |
| 101 | L | 80.3 | Confident | 81.2 | Confident | 8 Ų | 8 | 77.4 Ų | 77.4 | 4% | 0.042 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 175.7 | 175.7 | 69 | 0 | 0 | 0 | 112.2 | I82 M86 L93 E97 L98 Q99 F103 E104 L105 F121 | I82-L101 HydrophobicContact CG2-CD2 3.5Å; M86-L101 HydrophobicContact CE-CD1 4.44Å; M86-L101 HydrophobicContact CE-CD2 3.13Å; M86-L101 HydrophobicContact CE-CG 4.37Å; M86-L101 HydrophobicContact SD-CD2 4.31Å; L93-L101 HydrophobicContact CD1-CD2 3.55Å; E97-L101 WeakPolarHBondContact O-CB 3.02Å; E97-L101 PolarHBondContact O-N 3.41Å; L98-L101 PolarHBondContact O-N 3.32Å; Q99-L101 VanDerWaalsContact C-N 3.3Å; Q99-L101 PolarHBondContact O-N 2.84Å; L101-F103 PolarHBondContact O-N 3.5Å; L101-E104 PolarHBondContact O-N 2.64Å; L101-E104 VanDerWaalsContact O-N 3.11Å; L101-L105 HydrophobicContact CD1-CD1 4.05Å; L101-L105 HydrophobicContact CD1-CD2 4.33Å; L101-L105 HydrophobicContact CD1-CG 3.91Å; L101-L105 HydrophobicContact CD2-CD1 4.22Å; L101-L105 HydrophobicContact CG-CD1 3.79Å; L101-L105 HydrophobicContact CG-CG 4.07Å; L101-L105 WeakPolarHBondContact O-CB 3.48Å; L101-L105 WeakPolarHBondContact O-CG 3.44Å; L101-L105 PolarHBondContact O-N 3.44Å; L101-F121 HydrophobicContact CD1-CD2 4.21Å; L101-F121 HydrophobicContact CD1-CE1 4.37Å; L101-F121 HydrophobicContact CD1-CE2 3.38Å; L101-F121 HydrophobicContact CD1-CZ 3.46Å; L101-F121 VanDerWaalsContact CD1-CZ 3.46Å; L101-F121 HydrophobicContact CD2-CZ 4.36Å |
| 102 | I | 80.3 | Confident | 81.2 | Confident | 37 Ų | 37 | 81.1 Ų | 81.1 | 19% | 0.19 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -57.5 | -43.1 | 178 | -75 | 163 | 0 | 0 | 0 | 110.2 | A79 I82 L98 Q99 E104 L105 D106 L113 | A79-I102 HydrophobicContact CB-CD1 3.67Å; I82-I102 HydrophobicContact CD1-CD1 4.16Å; I82-I102 HydrophobicContact CD1-CG1 3.45Å; I82-I102 VanDerWaalsContact CD1-CG1 3.45Å; L98-I102 HydrophobicContact CD1-CD1 4.22Å; L98-I102 HydrophobicContact CD1-CG1 4.48Å; L98-I102 HydrophobicContact CG-CD1 4Å; L98-I102 WeakPolarHBondContact O-CB 3.18Å; L98-I102 WeakPolarHBondContact O-CD1 3.32Å; L98-I102 WeakPolarHBondContact O-CG1 3.4Å; L98-I102 PolarHBondContact O-N 2.92Å; Q99-I102 PolarHBondContact O-N 3.29Å; I102-E104 VanDerWaalsContact C-N 3.33Å; I102-E104 PolarHBondContact O-N 3.48Å; I102-L105 PolarHBondContact O-N 2.88Å; I102-D106 WeakPolarHBondContact O-CB 3.47Å; I102-D106 PolarHBondContact O-N 2.88Å; I102-D106 VanDerWaalsContact O-N 3.1Å; I102-L113 HydrophobicContact CB-CD1 4.23Å; I102-L113 HydrophobicContact CG1-CD1 4.04Å; I102-L113 HydrophobicContact CG2-CD1 3.94Å |
| 103 | F | 80.4 | Confident | 80.9 | Confident | 138 Ų | 138 | 77.2 Ų | 77.2 | 61% | 0.605 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.6 | -35.8 | 176.8 | 179.5 | -97.1 | 0 | 0 | 0 | 113 | Q99 D100 L101 | Q99-F103 PolarHBondContact O-N 3.5Å; D100-F103 WeakPolarHBondContact O-CB 3.49Å; D100-F103 PolarHBondContact O-N 3.45Å; L101-F103 PolarHBondContact O-N 3.5Å |
| 104 | E | 79.9 | Confident | 80.5 | Confident | 139 Ų | 139 | 78.5 Ų | 78.5 | 65% | 0.65 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -70.9 | -34.3 | 175 | -73.8 | 177.2 | -178.2 | 0 | 0 | 113.1 | D100 L101 I102 | D100-E104 WeakPolarHBondContact O-CG 3.23Å; D100-E104 PolarHBondContact O-N 2.92Å; L101-E104 PolarHBondContact O-N 2.64Å; L101-E104 VanDerWaalsContact O-N 3.11Å; I102-E104 VanDerWaalsContact C-N 3.33Å; I102-E104 PolarHBondContact O-N 3.48Å |
| 105 | L | 76.9 | Confident | 79.7 | Confident | 9 Ų | 9 | 78.2 Ų | 78.2 | 5% | 0.047 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -76.7 | -28.2 | -178.5 | -71.8 | 178.3 | 0 | 0 | 0 | 113.7 | I82 L101 I102 V107 L113 F121 | I82-L105 HydrophobicContact CD1-CD1 4.09Å; I82-L105 HydrophobicContact CG1-CD1 4.49Å; L101-L105 HydrophobicContact CD1-CD1 4.05Å; L101-L105 HydrophobicContact CD1-CD2 4.33Å; L101-L105 HydrophobicContact CD1-CG 3.91Å; L101-L105 HydrophobicContact CD2-CD1 4.22Å; L101-L105 HydrophobicContact CG-CD1 3.79Å; L101-L105 HydrophobicContact CG-CG 4.07Å; L101-L105 WeakPolarHBondContact O-CB 3.48Å; L101-L105 WeakPolarHBondContact O-CG 3.44Å; L101-L105 PolarHBondContact O-N 3.44Å; I102-L105 PolarHBondContact O-N 2.88Å; L105-V107 PolarHBondContact O-N 3.48Å; L105-L113 HydrophobicContact CB-CD1 3.98Å; L105-L113 HydrophobicContact CB-CD2 3.36Å; L105-L113 HydrophobicContact CB-CG 4.33Å; L105-L113 HydrophobicContact CD1-CD1 4.07Å; L105-L113 WeakPolarHBondContact O-CD2 3.49Å; L105-F121 HydrophobicContact CD2-CB 3.18Å; L105-F121 HydrophobicContact CD2-CD1 3.97Å; L105-F121 HydrophobicContact CD2-CD2 3.28Å; L105-F121 HydrophobicContact CD2-CE2 4.07Å; L105-F121 HydrophobicContact CD2-CG 3.19Å; L105-F121 HydrophobicContact CG-CD2 4.39Å; L105-F121 HydrophobicContact CG-CG 4.42Å |
| 106 | D | 78.7 | Confident | 79.1 | Confident | 22 Ų | 22 | 76.4 Ų | 76.4 | 12% | 0.118 | 40% | 0.402 | C | S | . | . | trans | -78.4 | 75.6 | -178.6 | -179 | 6.3 | 0 | 0 | 0 | 108.7 | I102 R109 D110 G111 L113 | I102-D106 WeakPolarHBondContact O-CB 3.47Å; I102-D106 PolarHBondContact O-N 2.88Å; I102-D106 VanDerWaalsContact O-N 3.1Å; D106-R109 VanDerWaalsContact CG-CA 3.5Å; D106-R109 WeakPolarHBondContact O-CG 3.13Å; D106-R109 PolarHBondContact O-N 2.76Å; D106-R109 WeakPolarHBondContact OD1-CA 3.33Å; D106-R109 PolarHBondContact OD1-N 3.21Å; D106-D110 PolarHBondContact OD1-N 3.33Å; D106-D110 VanDerWaalsContact OD1-N 3.11Å; D106-G111 WeakPolarHBondContact OD2-CA 3.26Å; D106-G111 PolarHBondContact OD2-N 2.75Å; D106-L113 HydrophobicContact CB-CD2 3.97Å | ||
| 107 | V | 73.7 | Confident | 78.4 | Confident | 117 Ų | 117 | 74.6 Ų | 74.6 | 71% | 0.709 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -69.8 | -37.8 | -170.8 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | L105 R109 E117 | L105-V107 PolarHBondContact O-N 3.48Å; V107-R109 VanDerWaalsContact C-N 3.33Å; V107-E117 PolarHBondContact N-OE1 3.39Å |
| 108 | D | 79.3 | Confident | 77.8 | Confident | 99 Ų | 99 | 70.3 Ų | 70.3 | 53% | 0.529 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -82.9 | -11.1 | 177.9 | 78.6 | 0.4 | 0 | 0 | 0 | 113.6 | D110 | D108-D110 VanDerWaalsContact C-N 3.25Å; D108-D110 PolarHBondContact O-N 2.71Å; D108-D110 WeakPolarHBondContact OD1-CB 3.23Å; D108-D110 PolarHBondContact OD1-N 3.46Å |
| 109 | R | 80.3 | Confident | 77.1 | Confident | 193 Ų | 193 | 72 Ų | 72 | 73% | 0.728 | 37% | 0.374 | S | S | * | . | trans | 61.3 | 31.2 | 178 | -58.3 | -176.9 | 176.1 | -176.7 | -1.1 | 112.8 | D106 V107 G111 | D106-R109 VanDerWaalsContact CG-CA 3.5Å; D106-R109 WeakPolarHBondContact O-CG 3.13Å; D106-R109 PolarHBondContact O-N 2.76Å; D106-R109 WeakPolarHBondContact OD1-CA 3.33Å; D106-R109 PolarHBondContact OD1-N 3.21Å; V107-R109 VanDerWaalsContact C-N 3.33Å; R109-G111 PolarHBondContact O-N 3.47Å | ||
| 110 | D | 82.6 | Confident | 76.2 | Confident | 86 Ų | 86 | 70.2 Ų | 70.2 | 46% | 0.46 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -78.7 | -6.5 | 176.4 | 95.6 | -22.8 | 0 | 0 | 0 | 112.8 | D106 D108 K112 | D106-D110 PolarHBondContact OD1-N 3.33Å; D106-D110 VanDerWaalsContact OD1-N 3.11Å; D108-D110 VanDerWaalsContact C-N 3.25Å; D108-D110 PolarHBondContact O-N 2.71Å; D108-D110 WeakPolarHBondContact OD1-CB 3.23Å; D108-D110 PolarHBondContact OD1-N 3.46Å; D110-K112 VanDerWaalsContact C-N 3.32Å; D110-K112 VanDerWaalsContact OD1-CA 3.3Å; D110-K112 WeakPolarHBondContact OD1-CA 3.21Å; D110-K112 WeakPolarHBondContact OD1-CB 3.38Å; D110-K112 PolarHBondContact OD1-N 3.23Å; D110-K112 VanDerWaalsContact OD1-O 3.11Å |
| 111 | G | 78.2 | Confident | 75.6 | Confident | 63 Ų | 63 | 66.6 Ų | 66.6 | 65% | 0.649 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 82 | 10.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D106 R109 | D106-G111 WeakPolarHBondContact OD2-CA 3.26Å; D106-G111 PolarHBondContact OD2-N 2.75Å; R109-G111 PolarHBondContact O-N 3.47Å |
| 112 | K | 79 | Confident | 75 | Confident | 111 Ų | 111 | 66.3 Ų | 66.3 | 48% | 0.483 | 36% | 0.355 | S | S | . | . | trans | -127.5 | 158.1 | 174.5 | -58 | 167.5 | -173.9 | 162.8 | 0 | 107.7 | V76 D110 | V76-K112 HydrophobicContact CG1-CB 4.18Å; V76-K112 HydrophobicContact CG1-CG 4.32Å; V76-K112 HydrophobicContact CG2-CB 4.49Å; V76-K112 HydrophobicContact CG2-CD 3.97Å; V76-K112 HydrophobicContact CG2-CG 4.33Å; D110-K112 VanDerWaalsContact C-N 3.32Å; D110-K112 VanDerWaalsContact OD1-CA 3.3Å; D110-K112 WeakPolarHBondContact OD1-CA 3.21Å; D110-K112 WeakPolarHBondContact OD1-CB 3.38Å; D110-K112 PolarHBondContact OD1-N 3.23Å; D110-K112 VanDerWaalsContact OD1-O 3.11Å | ||
| 113 | L | 75.9 | Confident | 74.1 | Confident | 8 Ų | 8 | 68.1 Ų | 68.1 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -112.2 | 131.4 | 171 | -74.3 | 172.3 | 0 | 0 | 0 | 108.5 | I77 I82 I102 L105 D106 E117 | I77-L113 HydrophobicContact CB-CB 3.83Å; I77-L113 WeakPolarHBondContact CB-O 3.49Å; I77-L113 WeakPolarHBondContact CG1-O 3.49Å; I77-L113 HydrophobicContact CG2-CB 4.33Å; I77-L113 PolarHBondContact N-O 3.11Å; I82-L113 HydrophobicContact CD1-CD1 3.36Å; I82-L113 HydrophobicContact CG1-CD1 4.47Å; I102-L113 HydrophobicContact CB-CD1 4.23Å; I102-L113 HydrophobicContact CG1-CD1 4.04Å; I102-L113 HydrophobicContact CG2-CD1 3.94Å; L105-L113 HydrophobicContact CB-CD1 3.98Å; L105-L113 HydrophobicContact CB-CD2 3.36Å; L105-L113 HydrophobicContact CB-CG 4.33Å; L105-L113 HydrophobicContact CD1-CD1 4.07Å; L105-L113 WeakPolarHBondContact O-CD2 3.49Å; D106-L113 HydrophobicContact CB-CD2 3.97Å; L113-E117 WeakPolarHBondContact CA-OE2 3.31Å |
| 114 | D | 74.3 | Confident | 73.4 | Confident | 63 Ų | 63 | 66 Ų | 66 | 34% | 0.337 | 36% | 0.36 | S | S | . | . | trans | -98.9 | 170 | 174.6 | 81.1 | 34.1 | 0 | 0 | 0 | 112.2 | I77 S116 E117 L118 | I77-D114 WeakPolarHBondContact CG1-O 3.46Å; D114-S116 VanDerWaalsContact C-N 3.26Å; D114-S116 PolarHBondContact O-N 3.01Å; D114-S116 VanDerWaalsContact OD1-CA 3.23Å; D114-S116 WeakPolarHBondContact OD1-CA 3.38Å; D114-S116 WeakPolarHBondContact OD1-CB 3.15Å; D114-S116 PolarHBondContact OD1-N 3.48Å; D114-E117 PolarHBondContact N-OE2 2.77Å; D114-E117 PolarHBondContact OD1-N 3.21Å; D114-L118 PolarHBondContact O-N 2.87Å | ||
| 115 | F | 68.5 | Low | 72.8 | Confident | 72 Ų | 72 | 62.9 Ų | 62.9 | 32% | 0.316 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.8 | -29.2 | -179.1 | -175.8 | -94.7 | 0 | 0 | 0 | 112.7 | F66 L69 A70 I77 C119 | F66-F115 AromaticContact CD1-CE2 3.58Å; F66-F115 HydrophobicContact CD1-CE2 3.58Å; F66-F115 AromaticContact CD1-CZ 3.6Å; F66-F115 HydrophobicContact CD1-CZ 3.6Å; F66-F115 HydrophobicContact CE1-CE2 4.2Å; F66-F115 HydrophobicContact CE1-CZ 4.25Å; L69-F115 HydrophobicContact CB-CD2 4.25Å; L69-F115 HydrophobicContact CB-CE2 3.97Å; A70-F115 HydrophobicContact CB-CE2 4.36Å; A70-F115 HydrophobicContact CB-CZ 4.32Å; I77-F115 HydrophobicContact CD1-CD2 4.47Å; F115-C119 WeakPolarHBondContact CE1-SG 3.39Å; F115-C119 WeakPolarHBondContact O-CB 3.49Å; F115-C119 PolarHBondContact O-N 2.96Å; F115-C119 PolarHBondContact O-SG 3.2Å |
| 116 | S | 71.6 | Confident | 72.1 | Confident | 84 Ų | 84 | 64.8 Ų | 64.8 | 59% | 0.587 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -70.2 | -45.9 | 178.8 | -171.7 | 0 | 0 | 0 | 0 | 110.9 | D114 C119 A120 | D114-S116 VanDerWaalsContact C-N 3.26Å; D114-S116 PolarHBondContact O-N 3.01Å; D114-S116 VanDerWaalsContact OD1-CA 3.23Å; D114-S116 WeakPolarHBondContact OD1-CA 3.38Å; D114-S116 WeakPolarHBondContact OD1-CB 3.15Å; D114-S116 PolarHBondContact OD1-N 3.48Å; S116-C119 WeakPolarHBondContact O-CB 3.46Å; S116-C119 PolarHBondContact O-N 3.48Å; S116-A120 WeakPolarHBondContact O-CB 3.02Å; S116-A120 PolarHBondContact O-N 2.77Å |
| 117 | E | 69.7 | Low | 71 | Confident | 25 Ų | 25 | 69.6 Ų | 69.6 | 12% | 0.117 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61 | -46.4 | 176.3 | -67.2 | 174 | 135.5 | 0 | 0 | 111.4 | V107 L113 D114 C119 A120 F121 | V107-E117 PolarHBondContact N-OE1 3.39Å; L113-E117 WeakPolarHBondContact CA-OE2 3.31Å; D114-E117 PolarHBondContact N-OE2 2.77Å; D114-E117 PolarHBondContact OD1-N 3.21Å; E117-C119 PolarHBondContact O-N 3.19Å; E117-A120 PolarHBondContact O-N 3.09Å; E117-F121 WeakPolarHBondContact O-CB 3.35Å; E117-F121 PolarHBondContact O-N 2.89Å |
| 118 | L | 72 | Confident | 70.3 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61 | -43.6 | 175.3 | -178.2 | 65.6 | 0 | 0 | 0 | 112 | F66 L69 I77 I82 V85 D114 V122 | F66-L118 HydrophobicContact CE1-CD2 4.48Å; F66-L118 HydrophobicContact CE1-CG 4.5Å; L69-L118 HydrophobicContact CD1-CD2 3.69Å; I77-L118 HydrophobicContact CD1-CD2 3.96Å; I77-L118 HydrophobicContact CG1-CB 4.41Å; I77-L118 HydrophobicContact CG1-CD2 4.16Å; I77-L118 HydrophobicContact CG2-CD2 3.94Å; I82-L118 HydrophobicContact CG1-CD1 4.32Å; V85-L118 HydrophobicContact CG1-CD1 4.41Å; V85-L118 HydrophobicContact CG2-CD1 4.44Å; V85-L118 HydrophobicContact CG2-CD2 4.18Å; D114-L118 PolarHBondContact O-N 2.87Å; L118-V122 HydrophobicContact CD1-CG2 4.25Å; L118-V122 HydrophobicContact CG-CG2 4.46Å; L118-V122 WeakPolarHBondContact O-CB 3.2Å; L118-V122 VanDerWaalsContact O-CG2 3.23Å; L118-V122 WeakPolarHBondContact O-CG2 3.46Å; L118-V122 PolarHBondContact O-N 3.31Å |
| 119 | C | 68.6 | Low | 69.6 | Low | 35 Ų | 35 | 67.7 Ų | 67.7 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.2 | -50.1 | 176.7 | -78.7 | 0 | 0 | 0 | 0 | 111.6 | F66 F115 S116 E117 F121 V122 V123 | F66-C119 WeakPolarHBondContact CE1-SG 3.48Å; F115-C119 WeakPolarHBondContact CE1-SG 3.39Å; F115-C119 WeakPolarHBondContact O-CB 3.49Å; F115-C119 PolarHBondContact O-N 2.96Å; F115-C119 PolarHBondContact O-SG 3.2Å; S116-C119 WeakPolarHBondContact O-CB 3.46Å; S116-C119 PolarHBondContact O-N 3.48Å; E117-C119 PolarHBondContact O-N 3.19Å; C119-F121 VanDerWaalsContact C-N 3.31Å; C119-F121 PolarHBondContact O-N 3.4Å; C119-V122 PolarHBondContact O-N 3.43Å; C119-V123 WeakPolarHBondContact O-CB 3.45Å; C119-V123 WeakPolarHBondContact O-CG2 3.44Å; C119-V123 PolarHBondContact O-N 3.15Å |
| 120 | A | 65.8 | Low | 68.6 | Low | 62 Ų | 62 | 60.8 Ų | 60.8 | 51% | 0.512 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -56.9 | -47.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S116 E117 V123 E124 | S116-A120 WeakPolarHBondContact O-CB 3.02Å; S116-A120 PolarHBondContact O-N 2.77Å; E117-A120 PolarHBondContact O-N 3.09Å; A120-V123 PolarHBondContact O-N 3.39Å; A120-E124 WeakPolarHBondContact O-CB 3.43Å; A120-E124 PolarHBondContact O-N 2.73Å |
| 121 | F | 71.2 | Confident | 67.2 | Low | 25 Ų | 25 | 59.4 Ų | 59.4 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 176.9 | 168.4 | -92.3 | 0 | 0 | 0 | 113.5 | M86 L101 L105 E117 C119 V123 E124 R125 | M86-F121 HydrophobicContact CE-CD1 4.11Å; M86-F121 HydrophobicContact CE-CE1 3.09Å; M86-F121 HydrophobicContact CE-CZ 3.47Å; M86-F121 VanDerWaalsContact CE-CZ 3.47Å; M86-F121 HydrophobicContact SD-CE1 4.19Å; M86-F121 HydrophobicContact SD-CZ 4.42Å; L101-F121 HydrophobicContact CD1-CD2 4.21Å; L101-F121 HydrophobicContact CD1-CE1 4.37Å; L101-F121 HydrophobicContact CD1-CE2 3.38Å; L101-F121 HydrophobicContact CD1-CZ 3.46Å; L101-F121 VanDerWaalsContact CD1-CZ 3.46Å; L101-F121 HydrophobicContact CD2-CZ 4.36Å; L105-F121 HydrophobicContact CD2-CB 3.18Å; L105-F121 HydrophobicContact CD2-CD1 3.97Å; L105-F121 HydrophobicContact CD2-CD2 3.28Å; L105-F121 HydrophobicContact CD2-CE2 4.07Å; L105-F121 HydrophobicContact CD2-CG 3.19Å; L105-F121 HydrophobicContact CG-CD2 4.39Å; L105-F121 HydrophobicContact CG-CG 4.42Å; E117-F121 WeakPolarHBondContact O-CB 3.35Å; E117-F121 PolarHBondContact O-N 2.89Å; C119-F121 VanDerWaalsContact C-N 3.31Å; C119-F121 PolarHBondContact O-N 3.4Å; F121-V123 VanDerWaalsContact C-N 3.27Å; F121-V123 PolarHBondContact O-N 2.92Å; F121-E124 PolarHBondContact O-N 3.29Å; F121-R125 HydrophobicContact CE1-CB 4.15Å; F121-R125 HydrophobicContact CZ-CB 4.23Å; F121-R125 HydrophobicContact CZ-CG 4.34Å; F121-R125 VanDerWaalsContact O-CB 3.31Å; F121-R125 WeakPolarHBondContact O-CB 3.47Å; F121-R125 PolarHBondContact O-N 3.22Å |
| 122 | V | 68.6 | Low | 66.5 | Low | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.8 | -40.9 | -177.9 | 167.1 | 0 | 0 | 0 | 0 | 110.7 | L62 F66 V85 L89 L118 C119 R125 I126 | L62-V122 HydrophobicContact CD1-CG1 4.01Å; L62-V122 HydrophobicContact CD2-CG1 3.51Å; L62-V122 HydrophobicContact CG-CG1 4.26Å; F66-V122 HydrophobicContact CE2-CB 4.32Å; F66-V122 HydrophobicContact CE2-CG1 3.84Å; F66-V122 HydrophobicContact CE2-CG2 4.38Å; F66-V122 HydrophobicContact CZ-CB 3.9Å; F66-V122 HydrophobicContact CZ-CG1 3.95Å; F66-V122 HydrophobicContact CZ-CG2 3.85Å; V85-V122 HydrophobicContact CG1-CG2 3.27Å; L89-V122 HydrophobicContact CD1-CG1 4.41Å; L118-V122 HydrophobicContact CD1-CG2 4.25Å; L118-V122 HydrophobicContact CG-CG2 4.46Å; L118-V122 WeakPolarHBondContact O-CB 3.2Å; L118-V122 VanDerWaalsContact O-CG2 3.23Å; L118-V122 WeakPolarHBondContact O-CG2 3.46Å; L118-V122 PolarHBondContact O-N 3.31Å; C119-V122 PolarHBondContact O-N 3.43Å; V122-R125 PolarHBondContact O-N 2.89Å; V122-I126 HydrophobicContact CG1-CD1 3.81Å; V122-I126 HydrophobicContact CG1-CG1 4.41Å; V122-I126 WeakPolarHBondContact O-CB 3.3Å; V122-I126 VanDerWaalsContact O-CG1 3.26Å; V122-I126 WeakPolarHBondContact O-CG1 3.35Å; V122-I126 PolarHBondContact O-N 3.2Å |
| 123 | V | 61.7 | Low | 65.7 | Low | 74 Ų | 74 | 58.1 Ų | 58.1 | 45% | 0.448 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.4 | -53 | 174.2 | 170.6 | 0 | 0 | 0 | 0 | 109.6 | C119 A120 F121 R125 I126 Y127 | C119-V123 WeakPolarHBondContact O-CB 3.45Å; C119-V123 WeakPolarHBondContact O-CG2 3.44Å; C119-V123 PolarHBondContact O-N 3.15Å; A120-V123 PolarHBondContact O-N 3.39Å; F121-V123 VanDerWaalsContact C-N 3.27Å; F121-V123 PolarHBondContact O-N 2.92Å; V123-R125 VanDerWaalsContact C-N 3.31Å; V123-R125 PolarHBondContact O-N 3.3Å; V123-I126 PolarHBondContact O-N 2.87Å; V123-Y127 HydrophobicContact CG1-CD2 3.54Å; V123-Y127 HydrophobicContact CG1-CE2 3.22Å; V123-Y127 WeakPolarHBondContact O-CD2 3.47Å; V123-Y127 PolarHBondContact O-N 2.9Å |
| 124 | E | 64.3 | Low | 65 | Low | 95 Ų | 95 | 58.2 Ų | 58.2 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.1 | -42.9 | 176.7 | -171 | -169.1 | 156.9 | 0 | 0 | 112.4 | A120 F121 Y127 K128 | A120-E124 WeakPolarHBondContact O-CB 3.43Å; A120-E124 PolarHBondContact O-N 2.73Å; F121-E124 PolarHBondContact O-N 3.29Å; E124-Y127 CarbonylContact O-C 3.6Å; E124-Y127 WeakPolarHBondContact O-CB 3.39Å; E124-Y127 PolarHBondContact O-N 3.3Å; E124-K128 HydrophobicContact CG-CD 4.34Å; E124-K128 WeakPolarHBondContact O-CB 3.07Å; E124-K128 WeakPolarHBondContact O-CG 3.41Å; E124-K128 PolarHBondContact O-N 2.76Å; E124-K128 WeakPolarHBondContact OE1-CE 3.21Å; E124-K128 IonicContact OE1-NZ 2.88Å; E124-K128 PolarHBondContact OE1-NZ 2.98Å |
| 125 | R | 68 | Low | 64.5 | Low | 73 Ų | 73 | 56 Ų | 56 | 28% | 0.275 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -72.5 | -35.6 | -177.9 | -168.6 | 154.3 | -179.8 | 130.6 | -4.4 | 112.9 | L89 D91 F121 V122 V123 Y127 K129 | L89-R125 HydrophobicContact CD1-CG 4.43Å; D91-R125 IonicContact OD2-CZ 2.63Å; D91-R125 IonicContact OD2-NE 2.86Å; D91-R125 PolarHBondContact OD2-NE 2.98Å; D91-R125 IonicContact OD2-NH2 3.35Å; D91-R125 PolarHBondContact OD2-NH2 3.12Å; F121-R125 HydrophobicContact CE1-CB 4.15Å; F121-R125 HydrophobicContact CZ-CB 4.23Å; F121-R125 HydrophobicContact CZ-CG 4.34Å; F121-R125 VanDerWaalsContact O-CB 3.31Å; F121-R125 WeakPolarHBondContact O-CB 3.47Å; F121-R125 PolarHBondContact O-N 3.22Å; V122-R125 PolarHBondContact O-N 2.89Å; V123-R125 VanDerWaalsContact C-N 3.31Å; V123-R125 PolarHBondContact O-N 3.3Å; R125-Y127 VanDerWaalsContact C-N 3.33Å; R125-K129 WeakPolarHBondContact O-CB 3.13Å; R125-K129 WeakPolarHBondContact O-CG 3.43Å; R125-K129 PolarHBondContact O-N 2.72Å |
| 126 | I | 61.2 | Low | 64.6 | Low | 49 Ų | 49 | 56.7 Ų | 56.7 | 25% | 0.251 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 168.9 | -71.7 | 164.9 | 0 | 0 | 0 | 109.5 | I54 L62 L89 V122 V123 K129 K130 | I54-I126 HydrophobicContact CD1-CG2 4.23Å; L62-I126 HydrophobicContact CD2-CD1 3.44Å; L62-I126 VanDerWaalsContact CD2-CD1 3.44Å; L89-I126 HydrophobicContact CD2-CD1 4.01Å; L89-I126 HydrophobicContact CD2-CG1 3.55Å; V122-I126 HydrophobicContact CG1-CD1 3.81Å; V122-I126 HydrophobicContact CG1-CG1 4.41Å; V122-I126 WeakPolarHBondContact O-CB 3.3Å; V122-I126 VanDerWaalsContact O-CG1 3.26Å; V122-I126 WeakPolarHBondContact O-CG1 3.35Å; V122-I126 PolarHBondContact O-N 3.2Å; V123-I126 PolarHBondContact O-N 2.87Å; I126-K129 PolarHBondContact O-N 3.33Å; I126-K130 WeakPolarHBondContact O-CB 3.24Å; I126-K130 PolarHBondContact O-N 3.27Å |
| 127 | Y | 55.9 | Low | 64.4 | Low | 122 Ų | 122 | 55.6 Ų | 55.6 | 48% | 0.478 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 178.2 | -78.5 | -62.9 | 0 | 0 | 0 | 111.6 | V123 E124 R125 K130 L131 T203 | V123-Y127 HydrophobicContact CG1-CD2 3.54Å; V123-Y127 HydrophobicContact CG1-CE2 3.22Å; V123-Y127 WeakPolarHBondContact O-CD2 3.47Å; V123-Y127 PolarHBondContact O-N 2.9Å; E124-Y127 CarbonylContact O-C 3.6Å; E124-Y127 WeakPolarHBondContact O-CB 3.39Å; E124-Y127 PolarHBondContact O-N 3.3Å; R125-Y127 VanDerWaalsContact C-N 3.33Å; Y127-K130 PolarHBondContact O-N 3.01Å; Y127-L131 VanDerWaalsContact O-CB 3.3Å; Y127-L131 WeakPolarHBondContact O-CB 3.32Å; Y127-L131 WeakPolarHBondContact O-CG 3.23Å; Y127-L131 PolarHBondContact O-N 3.47Å; Y127-T203 HydrophobicContact CE1-CG2 4.24Å |
| 128 | K | 60.1 | Low | 64.2 | Low | 108 Ų | 108 | 54.8 Ų | 54.8 | 47% | 0.47 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.2 | -48.8 | 175.6 | -78.9 | 177.7 | 170.5 | 169.1 | 0 | 112.2 | E124 K130 L131 D132 | E124-K128 HydrophobicContact CG-CD 4.34Å; E124-K128 WeakPolarHBondContact O-CB 3.07Å; E124-K128 WeakPolarHBondContact O-CG 3.41Å; E124-K128 PolarHBondContact O-N 2.76Å; E124-K128 WeakPolarHBondContact OE1-CE 3.21Å; E124-K128 IonicContact OE1-NZ 2.88Å; E124-K128 PolarHBondContact OE1-NZ 2.98Å; K128-K130 VanDerWaalsContact C-N 3.31Å; K128-K130 PolarHBondContact O-N 3.04Å; K128-L131 CarbonylContact O-C 3.47Å; K128-L131 WeakPolarHBondContact O-CB 3.27Å; K128-L131 PolarHBondContact O-N 3.42Å; K128-D132 WeakPolarHBondContact O-CB 3.19Å; K128-D132 VanDerWaalsContact O-CG 3.23Å; K128-D132 PolarHBondContact O-N 3.23Å |
| 129 | K | 64.6 | Low | 64.1 | Low | 68 Ų | 68 | 55.3 Ų | 55.3 | 30% | 0.296 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 176.7 | -82.2 | -176.5 | 161.2 | 178.5 | 0 | 113.3 | L89 D91 R125 I126 D132 H133 | L89-K129 PolarHBondContact O-NZ 3.32Å; D91-K129 WeakPolarHBondContact OD1-CE 3.44Å; D91-K129 IonicContact OD1-NZ 2.64Å; D91-K129 PolarHBondContact OD1-NZ 2.86Å; D91-K129 WeakPolarHBondContact OD2-CE 3.34Å; D91-K129 IonicContact OD2-NZ 2.88Å; D91-K129 PolarHBondContact OD2-NZ 2.98Å; R125-K129 WeakPolarHBondContact O-CB 3.13Å; R125-K129 WeakPolarHBondContact O-CG 3.43Å; R125-K129 PolarHBondContact O-N 2.72Å; I126-K129 PolarHBondContact O-N 3.33Å; K129-D132 PolarHBondContact O-N 3.29Å; K129-H133 WeakPolarHBondContact O-CB 2.79Å; K129-H133 PolarHBondContact O-N 3.47Å |
| 130 | K | 58 | Low | 64.5 | Low | 49 Ų | 49 | 61.5 Ų | 61.5 | 21% | 0.213 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.1 | -48.6 | 175.7 | 179.2 | 175.5 | 178 | -179 | 0 | 110 | I54 I126 Y127 K128 D132 H133 D134 | I54-K130 HydrophobicContact CD1-CD 4.31Å; I54-K130 HydrophobicContact CG1-CD 4.43Å; I126-K130 WeakPolarHBondContact O-CB 3.24Å; I126-K130 PolarHBondContact O-N 3.27Å; Y127-K130 PolarHBondContact O-N 3.01Å; K128-K130 VanDerWaalsContact C-N 3.31Å; K128-K130 PolarHBondContact O-N 3.04Å; K130-D132 VanDerWaalsContact C-N 3.33Å; K130-D132 PolarHBondContact O-N 3.11Å; K130-H133 PolarHBondContact O-N 3.3Å; K130-D134 WeakPolarHBondContact CE-OD2 3.27Å; K130-D134 WeakPolarHBondContact CG-OD2 3.48Å; K130-D134 VanDerWaalsContact O-CB 3.24Å; K130-D134 WeakPolarHBondContact O-CB 3.47Å; K130-D134 PolarHBondContact O-N 2.86Å |
| 131 | L | 55.1 | Low | 64.7 | Low | 57 Ų | 57 | 62.4 Ų | 62.4 | 30% | 0.298 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -55.6 | -50.5 | 174.2 | -74.6 | 169.2 | 0 | 0 | 0 | 109.7 | Y127 K128 H133 D134 F135 | Y127-L131 VanDerWaalsContact O-CB 3.3Å; Y127-L131 WeakPolarHBondContact O-CB 3.32Å; Y127-L131 WeakPolarHBondContact O-CG 3.23Å; Y127-L131 PolarHBondContact O-N 3.47Å; K128-L131 CarbonylContact O-C 3.47Å; K128-L131 WeakPolarHBondContact O-CB 3.27Å; K128-L131 PolarHBondContact O-N 3.42Å; L131-H133 PolarHBondContact O-N 3.21Å; L131-D134 PolarHBondContact O-N 2.65Å; L131-F135 WeakPolarHBondContact O-CA 3.24Å; L131-F135 WeakPolarHBondContact O-CB 3.38Å; L131-F135 WeakPolarHBondContact O-CD2 3.13Å; L131-F135 PolarHBondContact O-N 2.92Å |
| 132 | D | 62.7 | Low | 64.9 | Low | 63 Ų | 63 | 61.9 Ų | 61.9 | 34% | 0.337 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.6 | -47.1 | -179.9 | -70.5 | -14.5 | 0 | 0 | 0 | 112.4 | K128 K129 K130 F135 E136 Y188 L192 | K128-D132 WeakPolarHBondContact O-CB 3.19Å; K128-D132 VanDerWaalsContact O-CG 3.23Å; K128-D132 PolarHBondContact O-N 3.23Å; K129-D132 PolarHBondContact O-N 3.29Å; K130-D132 VanDerWaalsContact C-N 3.33Å; K130-D132 PolarHBondContact O-N 3.11Å; D132-F135 CarbonylContact O-C 3.57Å; D132-F135 WeakPolarHBondContact O-CB 3.28Å; D132-F135 PolarHBondContact O-N 2.97Å; D132-E136 WeakPolarHBondContact O-CB 3.47Å; D132-E136 WeakPolarHBondContact O-CG 2.97Å; D132-E136 PolarHBondContact O-N 3.16Å; D132-Y188 WeakPolarHBondContact CA-OH 3.36Å; D132-Y188 PolarHBondContact O-OH 3.35Å; D132-Y188 PolarHBondContact OD1-OH 3.49Å; D132-L192 WeakPolarHBondContact OD1-CD1 3.28Å |
| 133 | H | 62.6 | Low | 65.5 | Low | 83 Ų | 83 | 62.7 Ų | 62.7 | 38% | 0.384 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.3 | -50.8 | 178.6 | 178.2 | -77.4 | 0 | 0 | 0 | 111.9 | K129 K130 L131 F135 E136 E137 | K129-H133 WeakPolarHBondContact O-CB 2.79Å; K129-H133 PolarHBondContact O-N 3.47Å; K130-H133 PolarHBondContact O-N 3.3Å; L131-H133 PolarHBondContact O-N 3.21Å; H133-F135 PolarHBondContact O-N 2.76Å; H133-E136 PolarHBondContact O-N 3.41Å; H133-E137 IonicContact CE1-OE2 2.95Å; H133-E137 PolarHBondContact O-N 3.22Å |
| 134 | D | 61.1 | Low | 66.2 | Low | 10 Ų | 10 | 64.2 Ų | 64.2 | 5% | 0.053 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.9 | -29.3 | 178 | -63.3 | -30.6 | 0 | 0 | 0 | 110.1 | K130 L131 L138 I204 | K130-D134 WeakPolarHBondContact CE-OD2 3.27Å; K130-D134 WeakPolarHBondContact CG-OD2 3.48Å; K130-D134 VanDerWaalsContact O-CB 3.24Å; K130-D134 WeakPolarHBondContact O-CB 3.47Å; K130-D134 PolarHBondContact O-N 2.86Å; L131-D134 PolarHBondContact O-N 2.65Å; D134-L138 VanDerWaalsContact O-CB 3.31Å; D134-L138 WeakPolarHBondContact O-CB 3.42Å; D134-L138 PolarHBondContact O-N 3.02Å; D134-I204 HydrophobicContact CB-CD1 3.95Å; D134-I204 WeakPolarHBondContact OD2-CD1 3.31Å |
| 135 | F | 64 | Low | 67 | Low | 18 Ų | 18 | 64.5 Ų | 64.5 | 8% | 0.079 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71.1 | -44.7 | 172 | -108.6 | -86.7 | 0 | 0 | 0 | 113.4 | L131 D132 H133 E137 L138 F139 Y188 L191 I195 | L131-F135 WeakPolarHBondContact O-CA 3.24Å; L131-F135 WeakPolarHBondContact O-CB 3.38Å; L131-F135 WeakPolarHBondContact O-CD2 3.13Å; L131-F135 PolarHBondContact O-N 2.92Å; D132-F135 CarbonylContact O-C 3.57Å; D132-F135 WeakPolarHBondContact O-CB 3.28Å; D132-F135 PolarHBondContact O-N 2.97Å; H133-F135 PolarHBondContact O-N 2.76Å; F135-E137 PolarHBondContact O-N 2.81Å; F135-L138 HydrophobicContact CE1-CD2 3.82Å; F135-L138 HydrophobicContact CZ-CD2 3.69Å; F135-L138 PolarHBondContact O-N 3.11Å; F135-F139 WeakPolarHBondContact O-CB 3.42Å; F135-F139 PolarHBondContact O-N 3.5Å; F135-Y188 HydrophobicContact CB-CE2 4.02Å; F135-L191 HydrophobicContact CD1-CD2 4.26Å; F135-L191 HydrophobicContact CE1-CD2 3.61Å; F135-L191 HydrophobicContact CE1-CG 3.75Å; F135-I195 HydrophobicContact CE1-CD1 3.43Å; F135-I195 VanDerWaalsContact CE1-CD1 3.43Å; F135-I195 HydrophobicContact CE2-CD1 3.5Å; F135-I195 VanDerWaalsContact CE2-CD1 3.5Å; F135-I195 HydrophobicContact CE2-CG2 4.49Å; F135-I195 HydrophobicContact CZ-CD1 2.84Å; F135-I195 HydrophobicContact CZ-CG1 4.3Å |
| 136 | E | 69 | Low | 67.7 | Low | 86 Ų | 86 | 63.8 Ų | 63.8 | 40% | 0.402 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63 | -36.4 | 177.3 | -80.5 | -177.3 | -168.2 | 0 | 0 | 111.1 | D132 H133 R140 Y188 | D132-E136 WeakPolarHBondContact O-CB 3.47Å; D132-E136 WeakPolarHBondContact O-CG 2.97Å; D132-E136 PolarHBondContact O-N 3.16Å; H133-E136 PolarHBondContact O-N 3.41Å; E136-R140 VanDerWaalsContact O-CB 3.28Å; E136-R140 WeakPolarHBondContact O-CB 3.39Å; E136-R140 VanDerWaalsContact O-CG 3.28Å; E136-R140 WeakPolarHBondContact O-CG 3.31Å; E136-R140 PolarHBondContact O-N 2.98Å; E136-R140 PolarHBondContact O-NE 3.01Å; E136-R140 IonicContact OE2-NH2 3.99Å; E136-R140 PolarHBondContact OE2-NH2 2.78Å; E136-Y188 HydrophobicContact CG-CE2 4Å |
| 137 | E | 67.8 | Low | 68.8 | Low | 61 Ų | 61 | 65.7 Ų | 65.7 | 29% | 0.285 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.3 | -46.6 | 174.4 | -169.2 | 176.4 | 165.5 | 0 | 0 | 110.9 | A50 H133 F135 F139 R140 L141 | A50-E137 HydrophobicContact CB-CB 4.39Å; A50-E137 HydrophobicContact CB-CG 4.08Å; H133-E137 IonicContact CE1-OE2 2.95Å; H133-E137 PolarHBondContact O-N 3.22Å; F135-E137 PolarHBondContact O-N 2.81Å; E137-F139 VanDerWaalsContact C-N 3.31Å; E137-F139 PolarHBondContact O-N 3.17Å; E137-R140 PolarHBondContact O-N 3.31Å; E137-L141 HydrophobicContact CG-CD1 4.36Å; E137-L141 WeakPolarHBondContact O-CB 2.97Å; E137-L141 VanDerWaalsContact O-CG 3.27Å; E137-L141 WeakPolarHBondContact O-CG 3.48Å; E137-L141 PolarHBondContact O-N 3.06Å |
| 138 | L | 65.4 | Low | 70.1 | Confident | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.037 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57 | -46.7 | 173.8 | -177.3 | 73.5 | 0 | 0 | 0 | 111.1 | L46 V47 D134 F135 L141 L142 | L46-L138 HydrophobicContact CB-CD1 4.06Å; V47-L138 HydrophobicContact CG2-CD1 3.92Å; V47-L138 HydrophobicContact CG2-CD2 3.82Å; V47-L138 HydrophobicContact CG2-CG 4.48Å; D134-L138 VanDerWaalsContact O-CB 3.31Å; D134-L138 WeakPolarHBondContact O-CB 3.42Å; D134-L138 PolarHBondContact O-N 3.02Å; F135-L138 HydrophobicContact CE1-CD2 3.82Å; F135-L138 HydrophobicContact CZ-CD2 3.69Å; F135-L138 PolarHBondContact O-N 3.11Å; L138-L141 WeakPolarHBondContact O-CB 3.41Å; L138-L141 PolarHBondContact O-N 2.97Å; L138-L142 HydrophobicContact CD1-CD1 4.37Å; L138-L142 HydrophobicContact CD2-CD1 4.34Å; L138-L142 HydrophobicContact CG-CD1 3.85Å; L138-L142 HydrophobicContact CG-CG 4.46Å; L138-L142 WeakPolarHBondContact O-CB 3.35Å; L138-L142 WeakPolarHBondContact O-CG 3.39Å; L138-L142 PolarHBondContact O-N 3.02Å |
| 139 | F | 71.3 | Confident | 71.3 | Confident | 14 Ų | 14 | 57.5 Ų | 57.5 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.8 | -44.2 | -179.8 | -165 | -82.9 | 0 | 0 | 0 | 110.9 | F135 E137 L141 L142 D143 G148 L150 Y188 L191 | F135-F139 WeakPolarHBondContact O-CB 3.42Å; F135-F139 PolarHBondContact O-N 3.5Å; E137-F139 VanDerWaalsContact C-N 3.31Å; E137-F139 PolarHBondContact O-N 3.17Å; F139-L141 VanDerWaalsContact C-N 3.3Å; F139-L141 PolarHBondContact O-N 3.13Å; F139-L142 CarbonylContact O-C 3.57Å; F139-L142 PolarHBondContact O-N 2.69Å; F139-L142 VanDerWaalsContact O-N 3.09Å; F139-D143 HydrophobicContact CD1-CB 4.11Å; F139-D143 HydrophobicContact CE1-CB 4.02Å; F139-D143 VanDerWaalsContact O-CB 3.23Å; F139-D143 WeakPolarHBondContact O-CB 3.24Å; F139-D143 PolarHBondContact O-N 3.26Å; F139-G148 WeakPolarHBondContact CE1-O 3.32Å; F139-G148 WeakPolarHBondContact CZ-O 3.31Å; F139-L150 HydrophobicContact CD1-CD2 4.3Å; F139-L150 HydrophobicContact CD2-CD1 4.06Å; F139-L150 HydrophobicContact CD2-CD2 4.18Å; F139-L150 HydrophobicContact CD2-CG 4.02Å; F139-L150 HydrophobicContact CE1-CD2 4.07Å; F139-L150 HydrophobicContact CE1-CG 4.47Å; F139-L150 HydrophobicContact CE2-CD1 3.97Å; F139-L150 HydrophobicContact CE2-CD2 3.96Å; F139-L150 HydrophobicContact CE2-CG 3.55Å; F139-L150 HydrophobicContact CG-CD2 4.35Å; F139-L150 HydrophobicContact CZ-CD2 3.9Å; F139-L150 HydrophobicContact CZ-CG 3.81Å; F139-Y188 HydrophobicContact CB-CD2 4.41Å; F139-Y188 HydrophobicContact CD2-CD2 4.26Å; F139-Y188 HydrophobicContact CG-CD2 4.31Å; F139-L191 HydrophobicContact CD2-CD2 4.25Å |
| 140 | R | 75.2 | Confident | 72.2 | Confident | 164 Ų | 164 | 54.3 Ų | 54.3 | 62% | 0.619 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.5 | -31.5 | 174 | -81.5 | -176.6 | -96.5 | -150.1 | -8.6 | 113.9 | E136 E137 L142 | E136-R140 VanDerWaalsContact O-CB 3.28Å; E136-R140 WeakPolarHBondContact O-CB 3.39Å; E136-R140 VanDerWaalsContact O-CG 3.28Å; E136-R140 WeakPolarHBondContact O-CG 3.31Å; E136-R140 PolarHBondContact O-N 2.98Å; E136-R140 PolarHBondContact O-NE 3.01Å; E136-R140 IonicContact OE2-NH2 3.99Å; E136-R140 PolarHBondContact OE2-NH2 2.78Å; E137-R140 PolarHBondContact O-N 3.31Å; R140-L142 VanDerWaalsContact C-N 3.32Å |
| 141 | L | 72 | Confident | 73.5 | Confident | 82 Ų | 82 | 52.5 Ų | 52.5 | 43% | 0.429 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -72.5 | -30.7 | 173.7 | -73.4 | 170 | 0 | 0 | 0 | 111.9 | E137 L138 F139 | E137-L141 HydrophobicContact CG-CD1 4.36Å; E137-L141 WeakPolarHBondContact O-CB 2.97Å; E137-L141 VanDerWaalsContact O-CG 3.27Å; E137-L141 WeakPolarHBondContact O-CG 3.48Å; E137-L141 PolarHBondContact O-N 3.06Å; L138-L141 WeakPolarHBondContact O-CB 3.41Å; L138-L141 PolarHBondContact O-N 2.97Å; F139-L141 VanDerWaalsContact C-N 3.3Å; F139-L141 PolarHBondContact O-N 3.13Å |
| 142 | L | 73.5 | Confident | 74.9 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -81 | -46.7 | 179.4 | -67.3 | 170.4 | 0 | 0 | 0 | 111.4 | L46 L138 F139 R140 Q144 L150 D154 I158 | L46-L142 HydrophobicContact CD1-CD2 4.5Å; L138-L142 HydrophobicContact CD1-CD1 4.37Å; L138-L142 HydrophobicContact CD2-CD1 4.34Å; L138-L142 HydrophobicContact CG-CD1 3.85Å; L138-L142 HydrophobicContact CG-CG 4.46Å; L138-L142 WeakPolarHBondContact O-CB 3.35Å; L138-L142 WeakPolarHBondContact O-CG 3.39Å; L138-L142 PolarHBondContact O-N 3.02Å; F139-L142 CarbonylContact O-C 3.57Å; F139-L142 PolarHBondContact O-N 2.69Å; F139-L142 VanDerWaalsContact O-N 3.09Å; R140-L142 VanDerWaalsContact C-N 3.32Å; L142-Q144 PolarHBondContact O-N 3.3Å; L142-L150 HydrophobicContact CB-CD1 3.8Å; L142-L150 HydrophobicContact CB-CD2 3.41Å; L142-L150 VanDerWaalsContact CB-CD2 3.41Å; L142-L150 HydrophobicContact CB-CG 4.23Å; L142-L150 HydrophobicContact CD1-CD1 3.64Å; L142-L150 HydrophobicContact CG-CD1 4.32Å; L142-D154 VanDerWaalsContact O-CB 3.24Å; L142-D154 WeakPolarHBondContact O-CB 3.24Å; L142-I158 HydrophobicContact CD2-CB 3.86Å; L142-I158 HydrophobicContact CD2-CG1 3.72Å; L142-I158 HydrophobicContact CD2-CG2 3.49Å; L142-I158 VanDerWaalsContact CD2-CG2 3.49Å |
| 143 | D | 82 | Confident | 76 | Confident | 20 Ų | 20 | 52.6 Ų | 52.6 | 11% | 0.107 | 28% | 0.281 | C | S | . | . | trans | -72 | 87.2 | 179.3 | -178.8 | 4 | 0 | 0 | 0 | 110.2 | F139 D145 G146 D147 G148 L150 | F139-D143 HydrophobicContact CD1-CB 4.11Å; F139-D143 HydrophobicContact CE1-CB 4.02Å; F139-D143 VanDerWaalsContact O-CB 3.23Å; F139-D143 WeakPolarHBondContact O-CB 3.24Å; F139-D143 PolarHBondContact O-N 3.26Å; D143-D145 VanDerWaalsContact OD1-OD1 3.14Å; D143-G146 WeakPolarHBondContact OD1-CA 3.19Å; D143-G146 PolarHBondContact OD1-N 3.36Å; D143-D147 PolarHBondContact OD1-N 3Å; D143-D147 VanDerWaalsContact OD1-N 3.15Å; D143-G148 VanDerWaalsContact OD2-CA 3.27Å; D143-G148 WeakPolarHBondContact OD2-CA 3.37Å; D143-G148 PolarHBondContact OD2-N 2.83Å; D143-L150 HydrophobicContact CB-CD2 3.7Å; D143-L150 VanDerWaalsContact N-CD2 3.28Å | ||
| 144 | Q | 75.9 | Confident | 77 | Confident | 105 Ų | 105 | 48.8 Ų | 48.8 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -83.8 | -27 | -173.8 | -66.6 | -164 | -26.4 | 0 | 0 | 113 | L142 D154 N157 | L142-Q144 PolarHBondContact O-N 3.3Å; Q144-D154 PolarHBondContact N-OD1 2.93Å; Q144-N157 PolarHBondContact OE1-ND2 3.33Å |
| 145 | D | 81.9 | Confident | 77.8 | Confident | 102 Ų | 102 | 49.2 Ų | 49.2 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -86.8 | -15.1 | 175.9 | 69.2 | 9.3 | 0 | 0 | 0 | 112.9 | D143 D147 | D143-D145 VanDerWaalsContact OD1-OD1 3.14Å; D145-D147 PolarHBondContact OD1-N 2.74Å |
| 146 | G | 82.1 | Confident | 78.6 | Confident | 57 Ų | 57 | 50.3 Ų | 50.3 | 59% | 0.588 | 27% | 0.27 | S | S | * | . | trans | 77.5 | 24.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D143 G148 | D143-G146 WeakPolarHBondContact OD1-CA 3.19Å; D143-G146 PolarHBondContact OD1-N 3.36Å; G146-G148 VanDerWaalsContact C-N 3.28Å | ||
| 147 | D | 85.2 | Confident | 79 | Confident | 89 Ų | 89 | 49 Ų | 49 | 48% | 0.476 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -81.7 | -6.3 | -177.5 | 86.5 | -8.7 | 0 | 0 | 0 | 113.6 | D143 D145 A149 | D143-D147 PolarHBondContact OD1-N 3Å; D143-D147 VanDerWaalsContact OD1-N 3.15Å; D145-D147 PolarHBondContact OD1-N 2.74Å; D147-A149 VanDerWaalsContact C-N 3.33Å; D147-A149 VanDerWaalsContact OD1-CA 3.32Å; D147-A149 WeakPolarHBondContact OD1-CA 3.49Å; D147-A149 WeakPolarHBondContact OD1-CB 3.31Å; D147-A149 PolarHBondContact OD1-N 3.22Å |
| 148 | G | 83.5 | Confident | 79.2 | Confident | 45 Ų | 45 | 46.7 Ų | 46.7 | 46% | 0.464 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 83.7 | 6.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | F139 D143 G146 | F139-G148 WeakPolarHBondContact CE1-O 3.32Å; F139-G148 WeakPolarHBondContact CZ-O 3.31Å; D143-G148 VanDerWaalsContact OD2-CA 3.27Å; D143-G148 WeakPolarHBondContact OD2-CA 3.37Å; D143-G148 PolarHBondContact OD2-N 2.83Å; G146-G148 VanDerWaalsContact C-N 3.28Å |
| 149 | A | 85.3 | Confident | 79.5 | Confident | 13 Ų | 13 | 47 Ų | 47 | 11% | 0.107 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 154.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | D147 F185 | D147-A149 VanDerWaalsContact C-N 3.33Å; D147-A149 VanDerWaalsContact OD1-CA 3.32Å; D147-A149 WeakPolarHBondContact OD1-CA 3.49Å; D147-A149 WeakPolarHBondContact OD1-CB 3.31Å; D147-A149 PolarHBondContact OD1-N 3.22Å; A149-F185 HydrophobicContact CB-CB 4.06Å; A149-F185 HydrophobicContact CB-CD1 4.13Å; A149-F185 HydrophobicContact CB-CG 4.45Å |
| 150 | L | 83.3 | Confident | 79.5 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 108.6 | 169 | -48.7 | 179 | 0 | 0 | 0 | 108.3 | F139 L142 D143 D154 L155 F185 I186 L191 | F139-L150 HydrophobicContact CD1-CD2 4.3Å; F139-L150 HydrophobicContact CD2-CD1 4.06Å; F139-L150 HydrophobicContact CD2-CD2 4.18Å; F139-L150 HydrophobicContact CD2-CG 4.02Å; F139-L150 HydrophobicContact CE1-CD2 4.07Å; F139-L150 HydrophobicContact CE1-CG 4.47Å; F139-L150 HydrophobicContact CE2-CD1 3.97Å; F139-L150 HydrophobicContact CE2-CD2 3.96Å; F139-L150 HydrophobicContact CE2-CG 3.55Å; F139-L150 HydrophobicContact CG-CD2 4.35Å; F139-L150 HydrophobicContact CZ-CD2 3.9Å; F139-L150 HydrophobicContact CZ-CG 3.81Å; L142-L150 HydrophobicContact CB-CD1 3.8Å; L142-L150 HydrophobicContact CB-CD2 3.41Å; L142-L150 VanDerWaalsContact CB-CD2 3.41Å; L142-L150 HydrophobicContact CB-CG 4.23Å; L142-L150 HydrophobicContact CD1-CD1 3.64Å; L142-L150 HydrophobicContact CG-CD1 4.32Å; D143-L150 HydrophobicContact CB-CD2 3.7Å; D143-L150 VanDerWaalsContact N-CD2 3.28Å; L150-D154 HydrophobicContact CB-CB 4.49Å; L150-L155 HydrophobicContact CD1-CD2 4.44Å; L150-F185 WeakPolarHBondContact O-CA 3.38Å; L150-I186 HydrophobicContact CB-CB 4.14Å; L150-I186 PolarHBondContact N-O 2.9Å; L150-I186 PolarHBondContact O-N 3.22Å; L150-L191 HydrophobicContact CD1-CD2 4.13Å |
| 151 | S | 84.7 | Confident | 79.2 | Confident | 11 Ų | 11 | 53.7 Ų | 53.7 | 8% | 0.077 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 166.8 | 169.2 | 75.6 | 0 | 0 | 0 | 0 | 110.8 | D153 D154 L155 | S151-D153 PolarHBondContact O-N 3.25Å; S151-D153 PolarHBondContact OG-N 2.94Å; S151-D154 WeakPolarHBondContact CA-OD2 3.39Å; S151-D154 VanDerWaalsContact CB-OD2 3.22Å; S151-D154 WeakPolarHBondContact CB-OD2 3.34Å; S151-D154 PolarHBondContact N-OD2 3.15Å; S151-D154 WeakPolarHBondContact O-CB 3.36Å; S151-D154 PolarHBondContact O-N 2.82Å; S151-D154 VanDerWaalsContact OG-CG 3.28Å; S151-D154 PolarHBondContact OG-N 2.89Å; S151-D154 PolarHBondContact OG-OD2 3.09Å; S151-L155 PolarHBondContact O-N 2.93Å |
| 152 | K | 84.3 | Confident | 78.7 | Confident | 31 Ų | 31 | 52.3 Ų | 52.3 | 14% | 0.135 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.2 | -30.1 | 168.2 | -69.5 | 178.7 | 178 | 171.8 | 0 | 111.8 | R156 I171 N172 V175 N184 | K152-R156 VanDerWaalsContact O-CG 3.29Å; K152-R156 WeakPolarHBondContact O-CG 3.26Å; K152-R156 PolarHBondContact O-N 2.99Å; K152-I171 HydrophobicContact CB-CG2 3.99Å; K152-I171 HydrophobicContact CG-CG2 3.99Å; K152-N172 WeakPolarHBondContact CD-OD1 3.14Å; K152-N172 WeakPolarHBondContact CE-OD1 3.47Å; K152-N172 PolarHBondContact NZ-OD1 3.03Å; K152-V175 HydrophobicContact CG-CG2 4.05Å; K152-N184 WeakPolarHBondContact CE-OD1 3.4Å; K152-N184 PolarHBondContact N-O 3.39Å; K152-N184 PolarHBondContact NZ-OD1 3.17Å |
| 153 | D | 85.1 | Confident | 78.5 | Confident | 91 Ų | 91 | 60.4 Ų | 60.4 | 49% | 0.487 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -75.2 | -37.2 | 180 | -68.9 | -47.2 | 0 | 0 | 0 | 111.8 | S151 L155 R156 N157 | S151-D153 PolarHBondContact O-N 3.25Å; S151-D153 PolarHBondContact OG-N 2.94Å; D153-L155 PolarHBondContact O-N 3.18Å; D153-R156 PolarHBondContact O-N 2.85Å; D153-R156 VanDerWaalsContact O-N 3.14Å; D153-R156 IonicContact OD1-CZ 3.8Å; D153-R156 IonicContact OD1-NH1 2.72Å; D153-R156 PolarHBondContact OD1-NH1 3.44Å; D153-N157 WeakPolarHBondContact O-CB 3.13Å; D153-N157 PolarHBondContact O-N 2.96Å; D153-N157 PolarHBondContact O-ND2 3.27Å; D153-N157 PolarHBondContact O-OD1 2.94Å |
| 154 | D | 84 | Confident | 77.9 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57 | -48.8 | 170.3 | -68.5 | -50.1 | 0 | 0 | 0 | 111.7 | L142 Q144 L150 S151 R156 N157 I158 | L142-D154 VanDerWaalsContact O-CB 3.24Å; L142-D154 WeakPolarHBondContact O-CB 3.24Å; Q144-D154 PolarHBondContact N-OD1 2.93Å; L150-D154 HydrophobicContact CB-CB 4.49Å; S151-D154 WeakPolarHBondContact CA-OD2 3.39Å; S151-D154 VanDerWaalsContact CB-OD2 3.22Å; S151-D154 WeakPolarHBondContact CB-OD2 3.34Å; S151-D154 PolarHBondContact N-OD2 3.15Å; S151-D154 WeakPolarHBondContact O-CB 3.36Å; S151-D154 PolarHBondContact O-N 2.82Å; S151-D154 VanDerWaalsContact OG-CG 3.28Å; S151-D154 PolarHBondContact OG-N 2.89Å; S151-D154 PolarHBondContact OG-OD2 3.09Å; D154-R156 PolarHBondContact O-N 2.88Å; D154-N157 PolarHBondContact O-N 3.05Å; D154-I158 PolarHBondContact O-N 3.07Å |
| 155 | L | 78.9 | Confident | 77.7 | Confident | 19 Ų | 19 | 63.6 Ų | 63.6 | 10% | 0.099 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61 | -42 | 174.1 | -65.5 | 178.3 | 0 | 0 | 0 | 111.9 | L150 S151 D153 I158 L159 I171 V175 I186 | L150-L155 HydrophobicContact CD1-CD2 4.44Å; S151-L155 PolarHBondContact O-N 2.93Å; D153-L155 PolarHBondContact O-N 3.18Å; L155-I158 VanDerWaalsContact O-CG2 3.27Å; L155-I158 WeakPolarHBondContact O-CG2 3.26Å; L155-L159 WeakPolarHBondContact O-CB 3.44Å; L155-L159 WeakPolarHBondContact O-CD1 3.49Å; L155-L159 WeakPolarHBondContact O-CG 3.46Å; L155-L159 PolarHBondContact O-N 3.27Å; L155-L159 VanDerWaalsContact O-N 3.09Å; L155-I171 HydrophobicContact CB-CG2 4.5Å; L155-I171 HydrophobicContact CD1-CG2 4.37Å; L155-V175 HydrophobicContact CD1-CG2 3.73Å; L155-I186 HydrophobicContact CD1-CD1 3.78Å |
| 156 | R | 79.9 | Confident | 77.4 | Confident | 40 Ų | 40 | 60.7 Ų | 60.7 | 15% | 0.151 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 176.6 | -76.5 | 179.6 | -164.8 | 103.1 | 2.7 | 111.5 | K152 D153 D154 L159 R160 D168 I171 | K152-R156 VanDerWaalsContact O-CG 3.29Å; K152-R156 WeakPolarHBondContact O-CG 3.26Å; K152-R156 PolarHBondContact O-N 2.99Å; D153-R156 PolarHBondContact O-N 2.85Å; D153-R156 VanDerWaalsContact O-N 3.14Å; D153-R156 IonicContact OD1-CZ 3.8Å; D153-R156 IonicContact OD1-NH1 2.72Å; D153-R156 PolarHBondContact OD1-NH1 3.44Å; D154-R156 PolarHBondContact O-N 2.88Å; R156-L159 PolarHBondContact O-N 2.59Å; R156-R160 WeakPolarHBondContact O-CB 3.41Å; R156-R160 VanDerWaalsContact O-CG 3.32Å; R156-R160 WeakPolarHBondContact O-CG 3.45Å; R156-R160 PolarHBondContact O-N 3.02Å; R156-D168 IonicContact CZ-OD1 3.21Å; R156-D168 IonicContact NE-OD1 2.88Å; R156-D168 PolarHBondContact NE-OD1 3.37Å; R156-D168 IonicContact NH2-OD1 2.71Å; R156-D168 PolarHBondContact NH2-OD1 3.08Å; R156-I171 HydrophobicContact CG-CD1 4.45Å; R156-I171 HydrophobicContact CG-CG1 4.18Å |
| 157 | N | 78.2 | Confident | 77.2 | Confident | 60 Ų | 60 | 60.8 Ų | 60.8 | 32% | 0.321 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.3 | -42.9 | -175.4 | -68.7 | -18.1 | 0 | 0 | 0 | 111.1 | Q144 D153 D154 R160 Y161 | Q144-N157 PolarHBondContact OE1-ND2 3.33Å; D153-N157 WeakPolarHBondContact O-CB 3.13Å; D153-N157 PolarHBondContact O-N 2.96Å; D153-N157 PolarHBondContact O-ND2 3.27Å; D153-N157 PolarHBondContact O-OD1 2.94Å; D154-N157 PolarHBondContact O-N 3.05Å; N157-R160 PolarHBondContact O-N 3.2Å; N157-Y161 WeakPolarHBondContact O-CB 3.5Å; N157-Y161 PolarHBondContact O-N 3.48Å |
| 158 | I | 71.9 | Confident | 77 | Confident | 11 Ų | 11 | 60.9 Ų | 60.9 | 6% | 0.056 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 175.1 | -160.6 | 72.1 | 0 | 0 | 0 | 111 | L46 L142 D154 L155 R160 Y161 F162 | L46-I158 HydrophobicContact CD1-CG1 3.82Å; L46-I158 HydrophobicContact CD2-CD1 3.95Å; L46-I158 HydrophobicContact CD2-CG1 3.81Å; L46-I158 HydrophobicContact CG-CG1 4.39Å; L142-I158 HydrophobicContact CD2-CB 3.86Å; L142-I158 HydrophobicContact CD2-CG1 3.72Å; L142-I158 HydrophobicContact CD2-CG2 3.49Å; L142-I158 VanDerWaalsContact CD2-CG2 3.49Å; D154-I158 PolarHBondContact O-N 3.07Å; L155-I158 VanDerWaalsContact O-CG2 3.27Å; L155-I158 WeakPolarHBondContact O-CG2 3.26Å; I158-R160 VanDerWaalsContact C-N 3.32Å; I158-R160 PolarHBondContact O-N 3.32Å; I158-Y161 WeakPolarHBondContact O-CA 3.38Å; I158-Y161 VanDerWaalsContact O-CB 3.31Å; I158-Y161 WeakPolarHBondContact O-CB 3.36Å; I158-Y161 PolarHBondContact O-N 2.95Å; I158-Y161 VanDerWaalsContact O-N 3.08Å; I158-F162 HydrophobicContact CD1-CE2 3.96Å; I158-F162 HydrophobicContact CG1-CD2 4.12Å; I158-F162 HydrophobicContact CG1-CE2 3.9Å; I158-F162 VanDerWaalsContact O-CD2 3.26Å; I158-F162 WeakPolarHBondContact O-CD2 3.49Å; I158-F162 PolarHBondContact O-N 3Å; I158-F162 VanDerWaalsContact O-N 3.09Å |
| 159 | L | 71.7 | Confident | 76.8 | Confident | 14 Ų | 14 | 66.2 Ų | 66.2 | 7% | 0.073 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.5 | -41.6 | -179.3 | -67.6 | 165.5 | 0 | 0 | 0 | 110.4 | T42 L155 R156 Y161 F162 E163 L164 F166 I171 | T42-L159 HydrophobicContact CG2-CD2 4.17Å; L155-L159 WeakPolarHBondContact O-CB 3.44Å; L155-L159 WeakPolarHBondContact O-CD1 3.49Å; L155-L159 WeakPolarHBondContact O-CG 3.46Å; L155-L159 PolarHBondContact O-N 3.27Å; L155-L159 VanDerWaalsContact O-N 3.09Å; R156-L159 PolarHBondContact O-N 2.59Å; L159-Y161 VanDerWaalsContact C-N 3.32Å; L159-Y161 PolarHBondContact O-N 3.41Å; L159-F162 CarbonylContact O-C 3.04Å; L159-F162 PolarHBondContact O-N 3.04Å; L159-F162 VanDerWaalsContact O-N 3.12Å; L159-E163 PolarHBondContact O-N 3.44Å; L159-L164 CarbonylContact C-O 3.59Å; L159-L164 HydrophobicContact CB-CB 4.47Å; L159-L164 WeakPolarHBondContact CB-O 3.44Å; L159-L164 WeakPolarHBondContact O-CA 3.24Å; L159-L164 WeakPolarHBondContact O-CB 3.34Å; L159-L164 PolarHBondContact O-N 3.46Å; L159-F166 HydrophobicContact CB-CD2 4.18Å; L159-F166 HydrophobicContact CD1-CB 4.5Å; L159-F166 HydrophobicContact CD1-CD2 3.73Å; L159-F166 HydrophobicContact CD1-CE2 4.46Å; L159-F166 HydrophobicContact CD1-CG 4.49Å; L159-F166 HydrophobicContact CD2-CD2 3.88Å; L159-F166 HydrophobicContact CD2-CE2 3.82Å; L159-F166 HydrophobicContact CG-CD2 4.12Å; L159-I171 HydrophobicContact CD1-CD1 3.32Å |
| 160 | R | 71.2 | Confident | 76.2 | Confident | 148 Ų | 148 | 67.3 Ų | 67.3 | 56% | 0.558 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.8 | -37.4 | 171.4 | -75.3 | 177.1 | -179.4 | 169.9 | 2.8 | 113 | R156 N157 I158 F162 E163 L164 | R156-R160 WeakPolarHBondContact O-CB 3.41Å; R156-R160 VanDerWaalsContact O-CG 3.32Å; R156-R160 WeakPolarHBondContact O-CG 3.45Å; R156-R160 PolarHBondContact O-N 3.02Å; N157-R160 PolarHBondContact O-N 3.2Å; I158-R160 VanDerWaalsContact C-N 3.32Å; I158-R160 PolarHBondContact O-N 3.32Å; R160-F162 PolarHBondContact O-N 2.89Å; R160-E163 WeakPolarHBondContact O-CA 3.22Å; R160-E163 PolarHBondContact O-N 3.14Å; R160-L164 PolarHBondContact N-O 2.77Å |
| 161 | Y | 68.9 | Low | 75.9 | Confident | 171 Ų | 171 | 67.3 Ų | 67.3 | 67% | 0.671 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.9 | -33.7 | 174.8 | 179.6 | -92.9 | 0 | 0 | 0 | 112 | N157 I158 L159 E163 | N157-Y161 WeakPolarHBondContact O-CB 3.5Å; N157-Y161 PolarHBondContact O-N 3.48Å; I158-Y161 WeakPolarHBondContact O-CA 3.38Å; I158-Y161 VanDerWaalsContact O-CB 3.31Å; I158-Y161 WeakPolarHBondContact O-CB 3.36Å; I158-Y161 PolarHBondContact O-N 2.95Å; I158-Y161 VanDerWaalsContact O-N 3.08Å; L159-Y161 VanDerWaalsContact C-N 3.32Å; L159-Y161 PolarHBondContact O-N 3.41Å; Y161-E163 VanDerWaalsContact C-N 3.26Å; Y161-E163 PolarHBondContact O-N 3.47Å |
| 162 | F | 62 | Low | 75.8 | Confident | 53 Ų | 53 | 69.8 Ų | 69.8 | 23% | 0.232 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 15.9 | 171.2 | -72.1 | -81.6 | 0 | 0 | 0 | 114.3 | T42 L46 I158 L159 R160 L164 | T42-F162 HydrophobicContact CG2-CB 4.01Å; T42-F162 HydrophobicContact CG2-CG 4.26Å; L46-F162 HydrophobicContact CD1-CD2 3.93Å; L46-F162 HydrophobicContact CD1-CE2 3.77Å; L46-F162 HydrophobicContact CD1-CZ 4.45Å; L46-F162 HydrophobicContact CD2-CD2 4.11Å; L46-F162 HydrophobicContact CD2-CE2 3.11Å; L46-F162 HydrophobicContact CD2-CZ 3.38Å; L46-F162 HydrophobicContact CG-CD2 3.83Å; L46-F162 HydrophobicContact CG-CE1 4.3Å; L46-F162 HydrophobicContact CG-CE2 3.23Å; L46-F162 HydrophobicContact CG-CZ 3.48Å; L46-F162 VanDerWaalsContact CG-CZ 3.48Å; I158-F162 HydrophobicContact CD1-CE2 3.96Å; I158-F162 HydrophobicContact CG1-CD2 4.12Å; I158-F162 HydrophobicContact CG1-CE2 3.9Å; I158-F162 VanDerWaalsContact O-CD2 3.26Å; I158-F162 WeakPolarHBondContact O-CD2 3.49Å; I158-F162 PolarHBondContact O-N 3Å; I158-F162 VanDerWaalsContact O-N 3.09Å; L159-F162 CarbonylContact O-C 3.04Å; L159-F162 PolarHBondContact O-N 3.04Å; L159-F162 VanDerWaalsContact O-N 3.12Å; R160-F162 PolarHBondContact O-N 2.89Å; F162-L164 PolarHBondContact O-N 3.09Å |
| 163 | E | 69.1 | Low | 75.5 | Confident | 184 Ų | 184 | 70.1 Ų | 70.1 | 86% | 0.86 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 27.5 | -177.4 | -55.2 | -177 | 164.3 | 0 | 0 | 114 | L159 R160 Y161 | L159-E163 PolarHBondContact O-N 3.44Å; R160-E163 WeakPolarHBondContact O-CA 3.22Å; R160-E163 PolarHBondContact O-N 3.14Å; Y161-E163 VanDerWaalsContact C-N 3.26Å; Y161-E163 PolarHBondContact O-N 3.47Å |
| 164 | L | 69.1 | Low | 74.9 | Confident | 52 Ų | 52 | 67.9 Ų | 67.9 | 27% | 0.272 | 33% | 0.334 | S | S | . | . | trans | -109.5 | 120.2 | 176.4 | -60.4 | 177.2 | 0 | 0 | 0 | 111 | T42 L159 R160 F162 F166 | T42-L164 VanDerWaalsContact CB-CD1 3.45Å; T42-L164 HydrophobicContact CG2-CD1 3.15Å; T42-L164 HydrophobicContact CG2-CG 4.39Å; T42-L164 WeakPolarHBondContact OG1-CD1 3.27Å; L159-L164 CarbonylContact C-O 3.59Å; L159-L164 HydrophobicContact CB-CB 4.47Å; L159-L164 WeakPolarHBondContact CB-O 3.44Å; L159-L164 WeakPolarHBondContact O-CA 3.24Å; L159-L164 WeakPolarHBondContact O-CB 3.34Å; L159-L164 PolarHBondContact O-N 3.46Å; R160-L164 PolarHBondContact N-O 2.77Å; F162-L164 PolarHBondContact O-N 3.09Å; L164-F166 HydrophobicContact CB-CD2 4.05Å; L164-F166 HydrophobicContact CB-CE2 3.7Å; L164-F166 HydrophobicContact CD1-CE2 3.85Å; L164-F166 HydrophobicContact CD1-CZ 4.36Å; L164-F166 HydrophobicContact CG-CE2 4.37Å | ||
| 165 | D | 71.5 | Confident | 74.7 | Confident | 139 Ų | 139 | 67.8 Ų | 67.8 | 74% | 0.743 | 33% | 0.333 | S | S | * | . | trans | -104.6 | 107.8 | 175.3 | -157.9 | 21.2 | 0 | 0 | 0 | 109 | ||||
| 166 | F | 76.3 | Confident | 74.8 | Confident | 41 Ų | 41 | 72.3 Ų | 72.3 | 18% | 0.18 | 35% | 0.353 | C | S | . | . | trans | -104.8 | 139 | 176.6 | -73.9 | -72.6 | 0 | 0 | 0 | 109.7 | K39 L159 L164 I170 I171 | K39-F166 HydrophobicContact CB-CZ 4.35Å; K39-F166 HydrophobicContact CD-CE1 4.45Å; K39-F166 HydrophobicContact CG-CD1 4.27Å; K39-F166 HydrophobicContact CG-CE1 3.47Å; K39-F166 VanDerWaalsContact CG-CE1 3.47Å; K39-F166 HydrophobicContact CG-CZ 3.72Å; L159-F166 HydrophobicContact CB-CD2 4.18Å; L159-F166 HydrophobicContact CD1-CB 4.5Å; L159-F166 HydrophobicContact CD1-CD2 3.73Å; L159-F166 HydrophobicContact CD1-CE2 4.46Å; L159-F166 HydrophobicContact CD1-CG 4.49Å; L159-F166 HydrophobicContact CD2-CD2 3.88Å; L159-F166 HydrophobicContact CD2-CE2 3.82Å; L159-F166 HydrophobicContact CG-CD2 4.12Å; L164-F166 HydrophobicContact CB-CD2 4.05Å; L164-F166 HydrophobicContact CB-CE2 3.7Å; L164-F166 HydrophobicContact CD1-CE2 3.85Å; L164-F166 HydrophobicContact CD1-CZ 4.36Å; L164-F166 HydrophobicContact CG-CE2 4.37Å; F166-I170 HydrophobicContact CB-CB 4.23Å; F166-I170 HydrophobicContact CB-CG2 3.95Å; F166-I170 HydrophobicContact CD1-CB 4.4Å; F166-I170 HydrophobicContact CD1-CD1 3.77Å; F166-I170 HydrophobicContact CD1-CG2 3.7Å; F166-I170 HydrophobicContact CE1-CG2 4.48Å; F166-I170 HydrophobicContact CG-CG2 4.01Å; F166-I171 HydrophobicContact CB-CD1 4.1Å | ||
| 167 | S | 76.5 | Confident | 74.5 | Confident | 60 Ų | 60 | 76 Ų | 76 | 42% | 0.42 | 37% | 0.372 | S | S | . | . | trans | -64.5 | 154.1 | 175.9 | 62.6 | 0 | 0 | 0 | 0 | 111.5 | E169 I170 I171 | S167-E169 PolarHBondContact O-N 3.12Å; S167-E169 VanDerWaalsContact O-N 3.12Å; S167-I170 WeakPolarHBondContact O-CA 3.42Å; S167-I170 WeakPolarHBondContact O-CB 3.23Å; S167-I170 PolarHBondContact O-N 3.41Å; S167-I171 PolarHBondContact O-N 3.21Å; S167-I171 VanDerWaalsContact O-N 3.12Å | ||
| 168 | D | 81.6 | Confident | 74.2 | Confident | 90 Ų | 90 | 74.3 Ų | 74.3 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -54.8 | -32.7 | 175.6 | -74.2 | -26.3 | 0 | 0 | 0 | 112.8 | R156 I170 I171 N172 | R156-D168 IonicContact CZ-OD1 3.21Å; R156-D168 IonicContact NE-OD1 2.88Å; R156-D168 PolarHBondContact NE-OD1 3.37Å; R156-D168 IonicContact NH2-OD1 2.71Å; R156-D168 PolarHBondContact NH2-OD1 3.08Å; D168-I170 VanDerWaalsContact C-N 3.3Å; D168-I170 PolarHBondContact O-N 2.98Å; D168-I171 PolarHBondContact O-N 3.37Å; D168-N172 VanDerWaalsContact O-CB 3.24Å; D168-N172 WeakPolarHBondContact O-CB 3.31Å; D168-N172 PolarHBondContact O-N 3.3Å; D168-N172 PolarHBondContact O-ND2 3.04Å; D168-N172 VanDerWaalsContact O-ND2 3.11Å |
| 169 | E | 79.4 | Confident | 74.5 | Confident | 158 Ų | 158 | 75 Ų | 75 | 74% | 0.738 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.3 | -39.4 | 174.2 | -170.8 | -179.4 | -171.8 | 0 | 0 | 112.2 | S167 G173 | S167-E169 PolarHBondContact O-N 3.12Å; S167-E169 VanDerWaalsContact O-N 3.12Å; E169-G173 PolarHBondContact O-N 3.04Å |
| 170 | I | 72.6 | Confident | 74.7 | Confident | 35 Ų | 35 | 77.5 Ų | 77.5 | 18% | 0.179 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -71.3 | -44.9 | 177.6 | -69.1 | 173.5 | 0 | 0 | 0 | 110.8 | K39 F166 S167 D168 N172 G173 I174 | K39-I170 HydrophobicContact CD-CG2 3.91Å; K39-I170 HydrophobicContact CG-CG2 4.47Å; F166-I170 HydrophobicContact CB-CB 4.23Å; F166-I170 HydrophobicContact CB-CG2 3.95Å; F166-I170 HydrophobicContact CD1-CB 4.4Å; F166-I170 HydrophobicContact CD1-CD1 3.77Å; F166-I170 HydrophobicContact CD1-CG2 3.7Å; F166-I170 HydrophobicContact CE1-CG2 4.48Å; F166-I170 HydrophobicContact CG-CG2 4.01Å; S167-I170 WeakPolarHBondContact O-CA 3.42Å; S167-I170 WeakPolarHBondContact O-CB 3.23Å; S167-I170 PolarHBondContact O-N 3.41Å; D168-I170 VanDerWaalsContact C-N 3.3Å; D168-I170 PolarHBondContact O-N 2.98Å; I170-N172 VanDerWaalsContact C-N 3.32Å; I170-N172 PolarHBondContact O-N 3.06Å; I170-G173 PolarHBondContact O-N 2.71Å; I170-I174 HydrophobicContact CG2-CD1 3.97Å; I170-I174 WeakPolarHBondContact O-CG1 3.49Å; I170-I174 PolarHBondContact O-N 3.43Å |
| 171 | I | 78.3 | Confident | 74.8 | Confident | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60 | -45.9 | 177 | -59 | -61.1 | 0 | 0 | 0 | 110.1 | K152 L155 R156 L159 F166 S167 D168 G173 I174 V175 | K152-I171 HydrophobicContact CB-CG2 3.99Å; K152-I171 HydrophobicContact CG-CG2 3.99Å; L155-I171 HydrophobicContact CB-CG2 4.5Å; L155-I171 HydrophobicContact CD1-CG2 4.37Å; R156-I171 HydrophobicContact CG-CD1 4.45Å; R156-I171 HydrophobicContact CG-CG1 4.18Å; L159-I171 HydrophobicContact CD1-CD1 3.32Å; F166-I171 HydrophobicContact CB-CD1 4.1Å; S167-I171 PolarHBondContact O-N 3.21Å; S167-I171 VanDerWaalsContact O-N 3.12Å; D168-I171 PolarHBondContact O-N 3.37Å; I171-G173 VanDerWaalsContact C-N 3.31Å; I171-G173 PolarHBondContact O-N 3.44Å; I171-I174 PolarHBondContact O-N 3.32Å; I171-V175 WeakPolarHBondContact O-CG2 3.26Å; I171-V175 PolarHBondContact O-N 3.43Å |
| 172 | N | 81.3 | Confident | 74.7 | Confident | 64 Ų | 64 | 71.1 Ų | 71.1 | 34% | 0.342 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 175.7 | -69.5 | -23.9 | 0 | 0 | 0 | 112 | K152 D168 I170 V175 K176 | K152-N172 WeakPolarHBondContact CD-OD1 3.14Å; K152-N172 WeakPolarHBondContact CE-OD1 3.47Å; K152-N172 PolarHBondContact NZ-OD1 3.03Å; D168-N172 VanDerWaalsContact O-CB 3.24Å; D168-N172 WeakPolarHBondContact O-CB 3.31Å; D168-N172 PolarHBondContact O-N 3.3Å; D168-N172 PolarHBondContact O-ND2 3.04Å; D168-N172 VanDerWaalsContact O-ND2 3.11Å; I170-N172 VanDerWaalsContact C-N 3.32Å; I170-N172 PolarHBondContact O-N 3.06Å; N172-V175 PolarHBondContact O-N 2.98Å; N172-K176 VanDerWaalsContact O-CB 3.3Å; N172-K176 WeakPolarHBondContact O-CB 3.46Å; N172-K176 PolarHBondContact O-N 3.45Å |
| 173 | G | 78.1 | Confident | 74.8 | Confident | 37 Ų | 37 | 73.9 Ų | 73.9 | 38% | 0.381 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | E169 I170 I171 K176 E177 | E169-G173 PolarHBondContact O-N 3.04Å; I170-G173 PolarHBondContact O-N 2.71Å; I171-G173 VanDerWaalsContact C-N 3.31Å; I171-G173 PolarHBondContact O-N 3.44Å; G173-K176 PolarHBondContact O-N 2.98Å; G173-E177 WeakPolarHBondContact O-CB 3.44Å; G173-E177 PolarHBondContact O-N 3.41Å |
| 174 | I | 73.4 | Confident | 75 | Confident | 44 Ų | 44 | 69.1 Ų | 69.1 | 23% | 0.226 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63 | -49.7 | 177.9 | -68.2 | 165.9 | 0 | 0 | 0 | 110.7 | I170 I171 K176 E177 I178 | I170-I174 HydrophobicContact CG2-CD1 3.97Å; I170-I174 WeakPolarHBondContact O-CG1 3.49Å; I170-I174 PolarHBondContact O-N 3.43Å; I171-I174 PolarHBondContact O-N 3.32Å; I174-K176 VanDerWaalsContact C-N 3.3Å; I174-K176 PolarHBondContact O-N 3.49Å; I174-E177 PolarHBondContact O-N 3.21Å; I174-I178 HydrophobicContact CG2-CD1 3.63Å; I174-I178 WeakPolarHBondContact O-CG1 3.4Å; I174-I178 PolarHBondContact O-N 3.21Å |
| 175 | V | 80.1 | Confident | 75.6 | Confident | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.012 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 179.8 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | K152 L155 I171 N172 I178 T179 N183 I186 | K152-V175 HydrophobicContact CG-CG2 4.05Å; L155-V175 HydrophobicContact CD1-CG2 3.73Å; I171-V175 WeakPolarHBondContact O-CG2 3.26Å; I171-V175 PolarHBondContact O-N 3.43Å; N172-V175 PolarHBondContact O-N 2.98Å; V175-I178 PolarHBondContact O-N 3.37Å; V175-T179 HydrophobicContact CG1-CG2 4.33Å; V175-T179 WeakPolarHBondContact O-CB 3.15Å; V175-T179 WeakPolarHBondContact O-CG2 3.14Å; V175-T179 PolarHBondContact O-N 2.97Å; V175-T179 PolarHBondContact O-OG1 2.97Å; V175-N183 WeakPolarHBondContact CG1-O 3.45Å; V175-I186 HydrophobicContact CG1-CG1 4.4Å; V175-I186 HydrophobicContact CG2-CD1 4.14Å; V175-I186 HydrophobicContact CG2-CG1 4.32Å |
| 176 | K | 79 | Confident | 76.1 | Confident | 115 Ų | 115 | 64.8 Ų | 64.8 | 50% | 0.5 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 177.9 | -174.9 | 173.4 | -176.9 | 164.6 | 0 | 112.6 | N172 G173 I174 I178 G180 S181 E182 | N172-K176 VanDerWaalsContact O-CB 3.3Å; N172-K176 WeakPolarHBondContact O-CB 3.46Å; N172-K176 PolarHBondContact O-N 3.45Å; G173-K176 PolarHBondContact O-N 2.98Å; I174-K176 VanDerWaalsContact C-N 3.3Å; I174-K176 PolarHBondContact O-N 3.49Å; K176-I178 VanDerWaalsContact C-N 3.34Å; K176-G180 WeakPolarHBondContact O-CA 3.42Å; K176-G180 PolarHBondContact O-N 2.97Å; K176-S181 WeakPolarHBondContact CA-O 3.18Å; K176-E182 IonicContact NZ-OE1 3.89Å |
| 177 | E | 75.4 | Confident | 76.3 | Confident | 118 Ų | 118 | 65.5 Ų | 65.5 | 55% | 0.551 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66.2 | -38.3 | 178.2 | -167.6 | 175.4 | 171.6 | 0 | 0 | 111.5 | G173 I174 F194 | G173-E177 WeakPolarHBondContact O-CB 3.44Å; G173-E177 PolarHBondContact O-N 3.41Å; I174-E177 PolarHBondContact O-N 3.21Å; E177-F194 HydrophobicContact CG-CE2 3.81Å; E177-F194 HydrophobicContact CG-CZ 4.4Å |
| 178 | I | 71.2 | Confident | 76.1 | Confident | 24 Ų | 24 | 65.8 Ų | 65.8 | 12% | 0.123 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -79.4 | -49.3 | -177.3 | -65.8 | 167.1 | 0 | 0 | 0 | 111.9 | I174 V175 K176 I186 D190 L191 F194 | I174-I178 HydrophobicContact CG2-CD1 3.63Å; I174-I178 WeakPolarHBondContact O-CG1 3.4Å; I174-I178 PolarHBondContact O-N 3.21Å; V175-I178 PolarHBondContact O-N 3.37Å; K176-I178 VanDerWaalsContact C-N 3.34Å; I178-I186 HydrophobicContact CB-CD1 4.36Å; I178-I186 HydrophobicContact CD1-CD1 3.69Å; I178-I186 HydrophobicContact CG2-CD1 4.33Å; I178-I186 HydrophobicContact CG2-CG1 4.26Å; I178-I186 HydrophobicContact CG2-CG2 3.63Å; I178-D190 HydrophobicContact CG2-CB 3.97Å; I178-L191 HydrophobicContact CD1-CD1 3.95Å; I178-L191 HydrophobicContact CG2-CD1 4.27Å; I178-F194 HydrophobicContact CG1-CB 4.43Å; I178-F194 HydrophobicContact CG1-CD1 4.02Å; I178-F194 HydrophobicContact CG1-CD2 4.28Å; I178-F194 HydrophobicContact CG1-CE1 4.35Å; I178-F194 HydrophobicContact CG1-CG 3.97Å; I178-F194 HydrophobicContact CG2-CB 4.2Å |
| 179 | T | 78.6 | Confident | 75.7 | Confident | 24 Ų | 24 | 65.4 Ų | 65.4 | 15% | 0.147 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -86.4 | -15.5 | -175.2 | 67.7 | 0 | 0 | 0 | 0 | 112.9 | V175 S181 F185 I186 D190 | V175-T179 HydrophobicContact CG1-CG2 4.33Å; V175-T179 WeakPolarHBondContact O-CB 3.15Å; V175-T179 WeakPolarHBondContact O-CG2 3.14Å; V175-T179 PolarHBondContact O-N 2.97Å; V175-T179 PolarHBondContact O-OG1 2.97Å; T179-S181 WeakPolarHBondContact CB-OG 3.3Å; T179-S181 PolarHBondContact O-N 2.9Å; T179-S181 PolarHBondContact OG1-N 3.33Å; T179-S181 PolarHBondContact OG1-O 2.72Å; T179-S181 PolarHBondContact OG1-OG 3.09Å; T179-F185 WeakPolarHBondContact CG2-O 3.29Å; T179-I186 HydrophobicContact CG2-CB 4.4Å; T179-I186 HydrophobicContact CG2-CG1 3.93Å; T179-D190 HydrophobicContact CG2-CB 4.2Å |
| 180 | G | 75.1 | Confident | 75.5 | Confident | 67 Ų | 67 | 60 Ų | 60 | 69% | 0.691 | 33% | 0.333 | S | S | * | . | S | Bend | trans | 63 | 3.4 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K176 | K176-G180 WeakPolarHBondContact O-CA 3.42Å; K176-G180 PolarHBondContact O-N 2.97Å |
| 181 | S | 72.9 | Confident | 75.3 | Confident | 33 Ų | 33 | 59.1 Ų | 59.1 | 23% | 0.231 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -122.7 | 164.5 | -173.9 | 82.7 | 0 | 0 | 0 | 0 | 110.3 | K176 T179 N183 | K176-S181 WeakPolarHBondContact CA-O 3.18Å; T179-S181 WeakPolarHBondContact CB-OG 3.3Å; T179-S181 PolarHBondContact O-N 2.9Å; T179-S181 PolarHBondContact OG1-N 3.33Å; T179-S181 PolarHBondContact OG1-O 2.72Å; T179-S181 PolarHBondContact OG1-OG 3.09Å; S181-N183 VanDerWaalsContact OG-CB 3.26Å; S181-N183 WeakPolarHBondContact OG-CB 3.07Å; S181-N183 PolarHBondContact OG-N 3.41Å; S181-N183 VanDerWaalsContact OG-N 3.09Å |
| 182 | E | 67.8 | Low | 74.8 | Confident | 152 Ų | 152 | 61.1 Ų | 61.1 | 71% | 0.71 | 34% | 0.339 | S | S | * | . | trans | -85 | 2.6 | 169.3 | -62.7 | -171.8 | 168.9 | 0 | 0 | 112.1 | K176 N184 | K176-E182 IonicContact NZ-OE1 3.89Å; E182-N184 PolarHBondContact O-N 3.2Å | ||
| 183 | N | 63.8 | Low | 74.1 | Confident | 112 Ų | 112 | 64.1 Ų | 64.1 | 60% | 0.599 | 35% | 0.349 | S | S | * | . | trans | -65.1 | 134.7 | -176 | -61.4 | -15.5 | 0 | 0 | 0 | 109.5 | V175 S181 F185 | V175-N183 WeakPolarHBondContact CG1-O 3.45Å; S181-N183 VanDerWaalsContact OG-CB 3.26Å; S181-N183 WeakPolarHBondContact OG-CB 3.07Å; S181-N183 PolarHBondContact OG-N 3.41Å; S181-N183 VanDerWaalsContact OG-N 3.09Å; N183-F185 PolarHBondContact O-N 3.44Å | ||
| 184 | N | 74.3 | Confident | 73.6 | Confident | 83 Ų | 83 | 64.2 Ų | 64.2 | 44% | 0.444 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -71 | 10.4 | -169.3 | -75.2 | -18 | 0 | 0 | 0 | 115.1 | K152 E182 | K152-N184 WeakPolarHBondContact CE-OD1 3.4Å; K152-N184 PolarHBondContact N-O 3.39Å; K152-N184 PolarHBondContact NZ-OD1 3.17Å; E182-N184 PolarHBondContact O-N 3.2Å |
| 185 | F | 81.4 | Confident | 72.8 | Confident | 100 Ų | 100 | 63.4 Ų | 63.4 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 126.8 | -169.6 | -61 | -76.1 | 0 | 0 | 0 | 110.7 | A149 L150 T179 N183 | A149-F185 HydrophobicContact CB-CB 4.06Å; A149-F185 HydrophobicContact CB-CD1 4.13Å; A149-F185 HydrophobicContact CB-CG 4.45Å; L150-F185 WeakPolarHBondContact O-CA 3.38Å; T179-F185 WeakPolarHBondContact CG2-O 3.29Å; N183-F185 PolarHBondContact O-N 3.44Å |
| 186 | I | 81.3 | Confident | 71.7 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 118.2 | 170.7 | -60.6 | 169.4 | 0 | 0 | 0 | 107.6 | L150 L155 V175 I178 T179 D190 L191 | L150-I186 HydrophobicContact CB-CB 4.14Å; L150-I186 PolarHBondContact N-O 2.9Å; L150-I186 PolarHBondContact O-N 3.22Å; L155-I186 HydrophobicContact CD1-CD1 3.78Å; V175-I186 HydrophobicContact CG1-CG1 4.4Å; V175-I186 HydrophobicContact CG2-CD1 4.14Å; V175-I186 HydrophobicContact CG2-CG1 4.32Å; I178-I186 HydrophobicContact CB-CD1 4.36Å; I178-I186 HydrophobicContact CD1-CD1 3.69Å; I178-I186 HydrophobicContact CG2-CD1 4.33Å; I178-I186 HydrophobicContact CG2-CG1 4.26Å; I178-I186 HydrophobicContact CG2-CG2 3.63Å; T179-I186 HydrophobicContact CG2-CB 4.4Å; T179-I186 HydrophobicContact CG2-CG1 3.93Å; I186-D190 HydrophobicContact CG2-CB 4.18Å; I186-L191 HydrophobicContact CG2-CB 3.83Å; I186-L191 HydrophobicContact CG2-CD1 4.4Å |
| 187 | T | 81 | Confident | 70.7 | Confident | 56 Ų | 56 | 68.4 Ų | 68.4 | 34% | 0.344 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 162.8 | 172 | 68.8 | 0 | 0 | 0 | 0 | 110.9 | S189 D190 L191 | T187-S189 PolarHBondContact O-N 2.94Å; T187-S189 PolarHBondContact OG1-N 3.35Å; T187-D190 WeakPolarHBondContact CB-OD2 3.17Å; T187-D190 PolarHBondContact N-OD2 3.2Å; T187-D190 PolarHBondContact O-N 3.11Å; T187-D190 VanDerWaalsContact O-N 3.11Å; T187-D190 PolarHBondContact OG1-N 2.84Å; T187-D190 PolarHBondContact OG1-OD2 2.84Å; T187-L191 PolarHBondContact O-N 3.34Å; T187-L191 VanDerWaalsContact O-N 3.11Å |
| 188 | Y | 72.2 | Confident | 69.9 | Low | 65 Ų | 65 | 64.7 Ų | 64.7 | 26% | 0.255 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -50.6 | -41.3 | 170.6 | -177.9 | -91.5 | 0 | 0 | 0 | 112 | D132 F135 E136 F139 L191 L192 | D132-Y188 WeakPolarHBondContact CA-OH 3.36Å; D132-Y188 PolarHBondContact O-OH 3.35Å; D132-Y188 PolarHBondContact OD1-OH 3.49Å; F135-Y188 HydrophobicContact CB-CE2 4.02Å; E136-Y188 HydrophobicContact CG-CE2 4Å; F139-Y188 HydrophobicContact CB-CD2 4.41Å; F139-Y188 HydrophobicContact CD2-CD2 4.26Å; F139-Y188 HydrophobicContact CG-CD2 4.31Å; Y188-L191 PolarHBondContact O-N 3.28Å; Y188-L192 HydrophobicContact CE1-CD1 3.74Å; Y188-L192 VanDerWaalsContact O-CB 3.24Å; Y188-L192 WeakPolarHBondContact O-CB 3.34Å; Y188-L192 PolarHBondContact O-N 3.35Å |
| 189 | S | 72.4 | Confident | 68.7 | Low | 82 Ų | 82 | 66.9 Ų | 66.9 | 57% | 0.573 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -66.2 | -40.1 | 179.5 | -64.5 | 0 | 0 | 0 | 0 | 112.8 | T187 K193 | T187-S189 PolarHBondContact O-N 2.94Å; T187-S189 PolarHBondContact OG1-N 3.35Å; S189-K193 WeakPolarHBondContact O-CB 3.32Å; S189-K193 PolarHBondContact O-N 2.72Å |
| 190 | D | 74.6 | Confident | 67.2 | Low | 44 Ų | 44 | 70.7 Ų | 70.7 | 24% | 0.235 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 178.5 | -58.8 | -47.8 | 0 | 0 | 0 | 110.9 | I178 T179 I186 T187 F194 | I178-D190 HydrophobicContact CG2-CB 3.97Å; T179-D190 HydrophobicContact CG2-CB 4.2Å; I186-D190 HydrophobicContact CG2-CB 4.18Å; T187-D190 WeakPolarHBondContact CB-OD2 3.17Å; T187-D190 PolarHBondContact N-OD2 3.2Å; T187-D190 PolarHBondContact O-N 3.11Å; T187-D190 VanDerWaalsContact O-N 3.11Å; T187-D190 PolarHBondContact OG1-N 2.84Å; T187-D190 PolarHBondContact OG1-OD2 2.84Å; D190-F194 WeakPolarHBondContact O-CB 3.41Å; D190-F194 PolarHBondContact O-N 2.97Å |
| 191 | L | 69.9 | Low | 65.6 | Low | 18 Ų | 18 | 73.8 Ų | 73.8 | 9% | 0.094 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.2 | -44 | -178.9 | -167.6 | 62.8 | 0 | 0 | 0 | 111.9 | F135 F139 L150 I178 I186 T187 Y188 F194 I195 | F135-L191 HydrophobicContact CD1-CD2 4.26Å; F135-L191 HydrophobicContact CE1-CD2 3.61Å; F135-L191 HydrophobicContact CE1-CG 3.75Å; F139-L191 HydrophobicContact CD2-CD2 4.25Å; L150-L191 HydrophobicContact CD1-CD2 4.13Å; I178-L191 HydrophobicContact CD1-CD1 3.95Å; I178-L191 HydrophobicContact CG2-CD1 4.27Å; I186-L191 HydrophobicContact CG2-CB 3.83Å; I186-L191 HydrophobicContact CG2-CD1 4.4Å; T187-L191 PolarHBondContact O-N 3.34Å; T187-L191 VanDerWaalsContact O-N 3.11Å; Y188-L191 PolarHBondContact O-N 3.28Å; L191-F194 PolarHBondContact O-N 3.49Å; L191-I195 HydrophobicContact CG-CD1 4.31Å; L191-I195 VanDerWaalsContact O-CG1 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.03Å; L191-I195 PolarHBondContact O-N 2.71Å; L191-I195 VanDerWaalsContact O-N 3.16Å |
| 192 | L | 66.6 | Low | 64.1 | Low | 42 Ų | 42 | 74.5 Ų | 74.5 | 22% | 0.22 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 177.8 | -176 | 132.2 | 0 | 0 | 0 | 111.4 | D132 Y188 F194 I195 I196 | D132-L192 WeakPolarHBondContact OD1-CD1 3.28Å; Y188-L192 HydrophobicContact CE1-CD1 3.74Å; Y188-L192 VanDerWaalsContact O-CB 3.24Å; Y188-L192 WeakPolarHBondContact O-CB 3.34Å; Y188-L192 PolarHBondContact O-N 3.35Å; L192-F194 PolarHBondContact O-N 3.42Å; L192-I195 PolarHBondContact O-N 3.12Å; L192-I196 HydrophobicContact CD2-CD1 3.48Å; L192-I196 VanDerWaalsContact CD2-CD1 3.48Å; L192-I196 HydrophobicContact CG-CD1 4.05Å; L192-I196 WeakPolarHBondContact O-CG1 2.79Å; L192-I196 PolarHBondContact O-N 2.93Å |
| 193 | K | 67.4 | Low | 62.6 | Low | 127 Ų | 127 | 68.5 Ų | 68.5 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.3 | -48.5 | 175.9 | -177.9 | -176.3 | 175.6 | -170.9 | 0 | 111.5 | S189 I195 I196 D197 | S189-K193 WeakPolarHBondContact O-CB 3.32Å; S189-K193 PolarHBondContact O-N 2.72Å; K193-I195 PolarHBondContact O-N 2.88Å; K193-I196 PolarHBondContact O-N 3.36Å; K193-D197 WeakPolarHBondContact CE-OD2 3.47Å; K193-D197 WeakPolarHBondContact CG-OD2 3.45Å; K193-D197 VanDerWaalsContact O-CB 3.31Å; K193-D197 WeakPolarHBondContact O-CB 3.49Å; K193-D197 PolarHBondContact O-N 3.12Å |
| 194 | F | 66.6 | Low | 61.2 | Low | 40 Ų | 40 | 63.8 Ų | 63.8 | 18% | 0.175 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -55.3 | -37.9 | 178.3 | 174.4 | -103.4 | 0 | 0 | 0 | 112.2 | W40 E177 I178 D190 L191 L192 S198 | W40-F194 HydrophobicContact CH2-CE1 4.03Å; W40-F194 HydrophobicContact CZ2-CE1 4.07Å; W40-F194 HydrophobicContact CZ2-CZ 4.17Å; E177-F194 HydrophobicContact CG-CE2 3.81Å; E177-F194 HydrophobicContact CG-CZ 4.4Å; I178-F194 HydrophobicContact CG1-CB 4.43Å; I178-F194 HydrophobicContact CG1-CD1 4.02Å; I178-F194 HydrophobicContact CG1-CD2 4.28Å; I178-F194 HydrophobicContact CG1-CE1 4.35Å; I178-F194 HydrophobicContact CG1-CG 3.97Å; I178-F194 HydrophobicContact CG2-CB 4.2Å; D190-F194 WeakPolarHBondContact O-CB 3.41Å; D190-F194 PolarHBondContact O-N 2.97Å; L191-F194 PolarHBondContact O-N 3.49Å; L192-F194 PolarHBondContact O-N 3.42Å; F194-S198 WeakPolarHBondContact O-CB 3.44Å; F194-S198 PolarHBondContact O-N 2.88Å |
| 195 | I | 57 | Low | 59.1 | Low | 27 Ų | 27 | 63.4 Ų | 63.4 | 14% | 0.138 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -75.2 | -44.3 | -177.6 | -72.7 | 172.4 | 0 | 0 | 0 | 111.9 | F135 L191 L192 K193 S198 F202 | F135-I195 HydrophobicContact CE1-CD1 3.43Å; F135-I195 VanDerWaalsContact CE1-CD1 3.43Å; F135-I195 HydrophobicContact CE2-CD1 3.5Å; F135-I195 VanDerWaalsContact CE2-CD1 3.5Å; F135-I195 HydrophobicContact CE2-CG2 4.49Å; F135-I195 HydrophobicContact CZ-CD1 2.84Å; F135-I195 HydrophobicContact CZ-CG1 4.3Å; L191-I195 HydrophobicContact CG-CD1 4.31Å; L191-I195 VanDerWaalsContact O-CG1 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.03Å; L191-I195 PolarHBondContact O-N 2.71Å; L191-I195 VanDerWaalsContact O-N 3.16Å; L192-I195 PolarHBondContact O-N 3.12Å; K193-I195 PolarHBondContact O-N 2.88Å; I195-S198 PolarHBondContact O-N 2.9Å; I195-S198 PolarHBondContact O-OG 3.3Å; I195-F202 HydrophobicContact CG2-CD2 3.67Å; I195-F202 HydrophobicContact CG2-CE2 3.94Å |
| 196 | I | 56.6 | Low | 56.9 | Low | 107 Ų | 107 | 64.4 Ų | 64.4 | 55% | 0.549 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.9 | -49 | 173.5 | -66.8 | 172.6 | 0 | 0 | 0 | 110.1 | L192 K193 S198 G199 | L192-I196 HydrophobicContact CD2-CD1 3.48Å; L192-I196 VanDerWaalsContact CD2-CD1 3.48Å; L192-I196 HydrophobicContact CG-CD1 4.05Å; L192-I196 WeakPolarHBondContact O-CG1 2.79Å; L192-I196 PolarHBondContact O-N 2.93Å; K193-I196 PolarHBondContact O-N 3.36Å; I196-S198 PolarHBondContact O-N 3.17Å; I196-G199 PolarHBondContact O-N 3.34Å; I196-G199 VanDerWaalsContact O-N 3.13Å |
| 197 | D | 58.9 | Low | 54.7 | Low | 115 Ų | 115 | 65.2 Ų | 65.2 | 62% | 0.615 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.8 | -26.8 | -178.6 | -74.4 | -10.1 | 0 | 0 | 0 | 112.3 | K193 G199 | K193-D197 WeakPolarHBondContact CE-OD2 3.47Å; K193-D197 WeakPolarHBondContact CG-OD2 3.45Å; K193-D197 VanDerWaalsContact O-CB 3.31Å; K193-D197 WeakPolarHBondContact O-CB 3.49Å; K193-D197 PolarHBondContact O-N 3.12Å; D197-G199 PolarHBondContact O-N 2.85Å |
| 198 | S | 58.5 | Low | 52.4 | Low | 39 Ų | 39 | 65.7 Ų | 65.7 | 27% | 0.273 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -13.5 | 177.7 | 78.2 | 0 | 0 | 0 | 0 | 113.6 | F194 I195 I196 K200 | F194-S198 WeakPolarHBondContact O-CB 3.44Å; F194-S198 PolarHBondContact O-N 2.88Å; I195-S198 PolarHBondContact O-N 2.9Å; I195-S198 PolarHBondContact O-OG 3.3Å; I196-S198 PolarHBondContact O-N 3.17Å; S198-K200 PolarHBondContact O-N 2.93Å |
| 199 | G | 45 | Very low | 50.4 | Low | 70 Ų | 70 | 69.1 Ų | 69.1 | 72% | 0.722 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 11.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I196 D197 | I196-G199 PolarHBondContact O-N 3.34Å; I196-G199 VanDerWaalsContact O-N 3.13Å; D197-G199 PolarHBondContact O-N 2.85Å |
| 200 | K | 47.3 | Very low | 48.2 | Very low | 104 Ų | 104 | 70.7 Ų | 70.7 | 45% | 0.452 | 38% | 0.38 | S | S | . | . | trans | -83 | 118.1 | 174.9 | -69.3 | 178.5 | -174.7 | 170.9 | 0 | 106.8 | S198 F202 | S198-K200 PolarHBondContact O-N 2.93Å; K200-F202 HydrophobicContact CB-CD2 3.95Å; K200-F202 HydrophobicContact CB-CE1 4.42Å; K200-F202 HydrophobicContact CB-CE2 3.59Å; K200-F202 HydrophobicContact CB-CZ 3.85Å; K200-F202 HydrophobicContact CD-CE1 4.35Å; K200-F202 HydrophobicContact CD-CE2 4.23Å; K200-F202 HydrophobicContact CD-CZ 3.73Å; K200-F202 HydrophobicContact CG-CE2 4.5Å; K200-F202 HydrophobicContact CG-CZ 4.44Å; K200-F202 VanDerWaalsContact O-CD2 3.26Å; K200-F202 WeakPolarHBondContact O-CD2 3.24Å; K200-F202 PolarHBondContact O-N 2.95Å | ||
| 201 | D | 41.5 | Very low | 46.1 | Very low | 133 Ų | 133 | 73.5 Ų | 73.5 | 71% | 0.711 | 40% | 0.401 | S | S | * | . | trans | -57.4 | 91 | 159.9 | -93.3 | -37.8 | 0 | 0 | 0 | 107.6 | T203 | D201-T203 PolarHBondContact O-N 3.49Š| ||
| 202 | F | 42.8 | Very low | 44.3 | Very low | 48 Ų | 48 | 83.2 Ų | 83.2 | 21% | 0.211 | 45% | 0.452 | C | S | . | . | trans | -78.7 | 64.3 | 163.5 | -69.2 | -72.9 | 0 | 0 | 0 | 106.6 | W40 I195 K200 I204 I207 | W40-F202 HydrophobicContact CE3-CZ 4.45Å; W40-F202 AromaticContact CH2-CZ 3.72Å; W40-F202 HydrophobicContact CH2-CZ 3.72Å; W40-F202 AromaticContact CZ3-CE1 3.81Å; W40-F202 HydrophobicContact CZ3-CE1 3.81Å; W40-F202 AromaticContact CZ3-CZ 3.42Å; W40-F202 HydrophobicContact CZ3-CZ 3.42Å; W40-F202 VanDerWaalsContact CZ3-CZ 3.42Å; I195-F202 HydrophobicContact CG2-CD2 3.67Å; I195-F202 HydrophobicContact CG2-CE2 3.94Å; K200-F202 HydrophobicContact CB-CD2 3.95Å; K200-F202 HydrophobicContact CB-CE1 4.42Å; K200-F202 HydrophobicContact CB-CE2 3.59Å; K200-F202 HydrophobicContact CB-CZ 3.85Å; K200-F202 HydrophobicContact CD-CE1 4.35Å; K200-F202 HydrophobicContact CD-CE2 4.23Å; K200-F202 HydrophobicContact CD-CZ 3.73Å; K200-F202 HydrophobicContact CG-CE2 4.5Å; K200-F202 HydrophobicContact CG-CZ 4.44Å; K200-F202 VanDerWaalsContact O-CD2 3.26Å; K200-F202 WeakPolarHBondContact O-CD2 3.24Å; K200-F202 PolarHBondContact O-N 2.95Å; F202-I204 PolarHBondContact O-N 3.24Å; F202-I204 VanDerWaalsContact O-N 3.12Å; F202-I207 HydrophobicContact CB-CD1 3.9Å; F202-I207 HydrophobicContact CD1-CD1 3.52Å; F202-I207 HydrophobicContact CD1-CG1 3.99Å; F202-I207 HydrophobicContact CG-CD1 4.16Å | ||
| 203 | T | 36.2 | Very low | 43.1 | Very low | 26 Ų | 26 | 85.3 Ų | 85.3 | 16% | 0.16 | 46% | 0.463 | C | S | . | . | trans | -66.8 | 117.2 | 154 | 65.6 | 0 | 0 | 0 | 0 | 105.2 | Y127 D201 T205 E206 I207 | Y127-T203 HydrophobicContact CE1-CG2 4.24Å; D201-T203 PolarHBondContact O-N 3.49Å; T203-T205 WeakPolarHBondContact CB-OG1 3.47Å; T203-T205 PolarHBondContact O-N 3.27Å; T203-T205 PolarHBondContact OG1-OG1 3.07Å; T203-E206 PolarHBondContact O-N 3.31Å; T203-E206 WeakPolarHBondContact OG1-CB 3.39Å; T203-E206 VanDerWaalsContact OG1-CD 3.27Å; T203-E206 VanDerWaalsContact OG1-CG 3.31Å; T203-E206 WeakPolarHBondContact OG1-CG 3.29Å; T203-E206 PolarHBondContact OG1-N 3.15Å; T203-E206 PolarHBondContact OG1-OE2 3.44Å; T203-I207 PolarHBondContact O-N 3.43Å | ||
| 204 | I | 34.5 | Very low | 41.9 | Very low | 12 Ų | 12 | 83.1 Ų | 83.1 | 6% | 0.062 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -37.5 | -37.9 | 168.6 | -88 | 140.1 | 0 | 0 | 0 | 111.6 | V47 S51 D134 F202 I207 L208 | V47-I204 HydrophobicContact CG1-CG1 4.22Å; S51-I204 VanDerWaalsContact CB-CG1 3.45Å; S51-I204 WeakPolarHBondContact OG-CG2 2.92Å; D134-I204 HydrophobicContact CB-CD1 3.95Å; D134-I204 WeakPolarHBondContact OD2-CD1 3.31Å; F202-I204 PolarHBondContact O-N 3.24Å; F202-I204 VanDerWaalsContact O-N 3.12Å; I204-I207 WeakPolarHBondContact O-CB 3.46Å; I204-I207 PolarHBondContact O-N 3.25Å; I204-L208 HydrophobicContact CG2-CD1 3.56Å; I204-L208 HydrophobicContact CG2-CG 4.39Å; I204-L208 WeakPolarHBondContact O-CB 3.47Å; I204-L208 VanDerWaalsContact O-CD1 3.24Å; I204-L208 WeakPolarHBondContact O-CD1 3.39Å; I204-L208 WeakPolarHBondContact O-CG 3.29Å; I204-L208 PolarHBondContact O-N 3.3Å |
| 205 | T | 30 | Very low | 40.5 | Very low | 75 Ų | 75 | 85.5 Ų | 85.5 | 46% | 0.46 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.6 | -37 | 177 | 41 | 0 | 0 | 0 | 0 | 116.2 | T203 L208 N209 | T203-T205 WeakPolarHBondContact CB-OG1 3.47Å; T203-T205 PolarHBondContact O-N 3.27Å; T203-T205 PolarHBondContact OG1-OG1 3.07Å; T205-L208 WeakPolarHBondContact O-CB 3.45Å; T205-L208 PolarHBondContact O-N 2.98Å; T205-N209 WeakPolarHBondContact O-CB 3.45Å; T205-N209 PolarHBondContact O-N 3.08Å |
| 206 | E | 33.6 | Very low | 39.5 | Very low | 121 Ų | 121 | 88.9 Ų | 88.9 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -76.5 | -26.9 | 175.8 | -77.3 | 163.7 | 151.4 | 0 | 0 | 112.3 | R44 T203 L208 | R44-E206 PolarHBondContact NH2-O 2.92Å; T203-E206 PolarHBondContact O-N 3.31Å; T203-E206 WeakPolarHBondContact OG1-CB 3.39Å; T203-E206 VanDerWaalsContact OG1-CD 3.27Å; T203-E206 VanDerWaalsContact OG1-CG 3.31Å; T203-E206 WeakPolarHBondContact OG1-CG 3.29Å; T203-E206 PolarHBondContact OG1-N 3.15Å; T203-E206 PolarHBondContact OG1-OE2 3.44Å; E206-L208 VanDerWaalsContact C-N 3.31Å |
| 207 | I | 36.1 | Very low | 38.5 | Very low | 18 Ų | 18 | 87.8 Ų | 87.8 | 9% | 0.092 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -64.5 | -39 | 167 | -59.8 | 173.4 | 0 | 0 | 0 | 110 | R44 V47 F202 T203 I204 | R44-I207 HydrophobicContact CB-CG2 4.3Å; R44-I207 HydrophobicContact CG-CB 4.49Å; R44-I207 HydrophobicContact CG-CG2 3.38Å; R44-I207 VanDerWaalsContact CZ-O 3.3Å; R44-I207 PolarHBondContact NE-O 3.3Å; R44-I207 PolarHBondContact NH2-O 2.96Å; V47-I207 HydrophobicContact CG1-CD1 3.97Å; F202-I207 HydrophobicContact CB-CD1 3.9Å; F202-I207 HydrophobicContact CD1-CD1 3.52Å; F202-I207 HydrophobicContact CD1-CG1 3.99Å; F202-I207 HydrophobicContact CG-CD1 4.16Å; T203-I207 PolarHBondContact O-N 3.43Å; I204-I207 WeakPolarHBondContact O-CB 3.46Å; I204-I207 PolarHBondContact O-N 3.25Å |
| 208 | L | 33.4 | Very low | 37.1 | Very low | 67 Ų | 67 | 86 Ų | 86 | 35% | 0.351 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -76.7 | -37.1 | -177.3 | -70.9 | 166 | 0 | 0 | 0 | 114.8 | T48 I204 T205 E206 | T48-L208 HydrophobicContact CG2-CD2 3.23Å; I204-L208 HydrophobicContact CG2-CD1 3.56Å; I204-L208 HydrophobicContact CG2-CG 4.39Å; I204-L208 WeakPolarHBondContact O-CB 3.47Å; I204-L208 VanDerWaalsContact O-CD1 3.24Å; I204-L208 WeakPolarHBondContact O-CD1 3.39Å; I204-L208 WeakPolarHBondContact O-CG 3.29Å; I204-L208 PolarHBondContact O-N 3.3Å; T205-L208 WeakPolarHBondContact O-CB 3.45Å; T205-L208 PolarHBondContact O-N 2.98Å; E206-L208 VanDerWaalsContact C-N 3.31Å |
| 209 | N | 29.4 | Very low | 35.6 | Very low | 137 Ų | 137 | 89.4 Ų | 89.4 | 73% | 0.733 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -93.5 | 7.5 | -164.5 | -86.3 | -10.5 | 0 | 0 | 0 | 116.6 | T205 P211 | T205-N209 WeakPolarHBondContact O-CB 3.45Å; T205-N209 PolarHBondContact O-N 3.08Å; N209-P211 WeakPolarHBondContact O-CD 3.25Å |
| 210 | N | 27.1 | Very low | 34.8 | Very low | 115 Ų | 115 | 90.8 Ų | 90.8 | 62% | 0.615 | 48% | 0.48 | S | S | * | . | trans | -112.9 | 71.2 | 169.4 | -153.5 | 6.1 | 0 | 0 | 0 | 110.5 | L212 | N210-L212 PolarHBondContact O-N 3.41Š| ||
| 211 | P | 30 | Very low | 33.8 | Very low | 103 Ų | 103 | 89.8 Ų | 89.8 | 67% | 0.669 | 48% | 0.483 | S | S | * | . | trans | -67.2 | 120.8 | 166.1 | 30.2 | -29.2 | 0 | 0 | 0 | 107 | N209 | N209-P211 WeakPolarHBondContact O-CD 3.25Š| ||
| 212 | L | 31 | Very low | 33.1 | Very low | 222 Ų | 222 | 85.8 Ų | 85.8 | 100% | 1.162 | 46% | 0.462 | S | S | * | . | trans | -56.9 | 0 | 155.5 | -78.1 | 167.9 | 0 | 0 | 0 | 109.4 | N210 | N210-L212 PolarHBondContact O-N 3.41Š|
Retrieved 212 of 212 residues in 126.1 ms
(Link to these results)