| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.8 | Low | 53.8 | Low | 241 Ų | 241 | 148.4 Ų | 148.4 | 100% | 1.187 | 83% | 0.825 | S | S | * | * | 0 | 79 | 0 | -70.6 | -77.3 | 162.1 | 0 | 0 | 108.6 | |||||
| 2 | S | 62.1 | Low | 53.4 | Low | 123 Ų | 123 | 143.7 Ų | 143.7 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -126.1 | 91.1 | 173 | -76.8 | 0 | 0 | 0 | 0 | 108.3 | R4 | S2-R4 PolarHBondContact O-N 3.32Š| ||
| 3 | S | 57.4 | Low | 53 | Low | 122 Ų | 122 | 140 Ų | 140 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 119.5 | 173.7 | -55.3 | 0 | 0 | 0 | 0 | 108.8 | ||
| 4 | R | 61.9 | Low | 52.6 | Low | 239 Ų | 239 | 135.1 Ų | 135.1 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 126.7 | 173 | -68 | 178.4 | 174.3 | -148.8 | -1.8 | 108.2 | S2 G6 | S2-R4 PolarHBondContact O-N 3.32Å; R4-G6 PolarHBondContact O-N 3.25Å |
| 5 | P | 55.3 | Low | 52.5 | Low | 123 Ų | 123 | 132.3 Ų | 132.3 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 128.7 | 175.4 | 25.8 | -29.9 | 0 | 0 | 0 | 109.5 | R7 | P5-R7 PolarHBondContact O-N 2.73Š|
| 6 | G | 53.5 | Low | 52.8 | Low | 72 Ų | 72 | 139.1 Ų | 139.1 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 125.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | R4 E8 | R4-G6 PolarHBondContact O-N 3.25Å; G6-E8 PolarHBondContact O-N 3.18Å |
| 7 | R | 54.9 | Low | 53.2 | Low | 218 Ų | 218 | 142.9 Ų | 142.9 | 82% | 0.823 | 81% | 0.813 | S | S | * | * | trans | -76.5 | 106 | 163.8 | -85.4 | 176.3 | 61.7 | -166.3 | -5.7 | 106.9 | P5 D9 | P5-R7 PolarHBondContact O-N 2.73Å; R7-D9 IonicContact NH2-OD2 2.79Å; R7-D9 PolarHBondContact O-N 2.86Å; R7-D9 VanDerWaalsContact O-N 3.07Å | ||
| 8 | E | 52.1 | Low | 53.9 | Low | 180 Ų | 180 | 140.8 Ų | 140.8 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | trans | -65.5 | 100.9 | 162.6 | -62.2 | -171.2 | 126.7 | 0 | 0 | 107.5 | G6 V10 | G6-E8 PolarHBondContact O-N 3.18Å; E8-V10 PolarHBondContact O-N 3.32Å | ||
| 9 | D | 48.4 | Very low | 54.9 | Low | 129 Ų | 129 | 146.4 Ų | 146.4 | 69% | 0.69 | 81% | 0.812 | S | S | * | * | trans | -77.4 | 74.6 | 173.8 | -140.2 | -78.2 | 0 | 0 | 0 | 107.5 | R7 G11 | R7-D9 IonicContact NH2-OD2 2.79Å; R7-D9 PolarHBondContact O-N 2.86Å; R7-D9 VanDerWaalsContact O-N 3.07Å; D9-G11 PolarHBondContact O-N 3.05Å | ||
| 10 | V | 49.4 | Very low | 55.8 | Low | 125 Ų | 125 | 143.5 Ų | 143.5 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | trans | -70.3 | 92.1 | 165.1 | -175.2 | 0 | 0 | 0 | 0 | 105.3 | E8 A12 | E8-V10 PolarHBondContact O-N 3.32Å; V10-A12 VanDerWaalsContact C-N 3.25Å; V10-A12 PolarHBondContact O-N 3.24Å | ||
| 11 | G | 45.5 | Very low | 57 | Low | 60 Ų | 60 | 139.7 Ų | 139.7 | 62% | 0.619 | 77% | 0.774 | S | S | * | * | trans | -54.3 | 89.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | D9 A13 | D9-G11 PolarHBondContact O-N 3.05Å; G11-A13 VanDerWaalsContact C-N 3.28Å; G11-A13 PolarHBondContact O-N 3.42Å | ||
| 12 | A | 49.2 | Very low | 58.6 | Low | 92 Ų | 92 | 132.9 Ų | 132.9 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | trans | -61.1 | 100.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | V10 G14 | V10-A12 VanDerWaalsContact C-N 3.25Å; V10-A12 PolarHBondContact O-N 3.24Å; A12-G14 PolarHBondContact O-N 3.22Å; A12-G14 VanDerWaalsContact O-N 3.09Å | ||
| 13 | A | 48.6 | Very low | 59.8 | Low | 96 Ų | 96 | 134.5 Ų | 134.5 | 79% | 0.793 | 74% | 0.742 | S | S | * | * | trans | -34.6 | 118 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | G11 A15 | G11-A13 VanDerWaalsContact C-N 3.28Å; G11-A13 PolarHBondContact O-N 3.42Å; A13-A15 VanDerWaalsContact C-N 3.3Å; A13-A15 PolarHBondContact O-N 3.27Å | ||
| 14 | G | 47.7 | Very low | 61.2 | Low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 72% | 0.721 | S | S | * | * | trans | -55 | 93.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | A12 R16 | A12-G14 PolarHBondContact O-N 3.22Å; A12-G14 VanDerWaalsContact O-N 3.09Å; G14-R16 PolarHBondContact O-N 2.93Å | ||
| 15 | A | 51.3 | Low | 62.4 | Low | 93 Ų | 93 | 128 Ų | 128 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | trans | -55.4 | 106.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 105.2 | A13 R17 | A13-A15 VanDerWaalsContact C-N 3.3Å; A13-A15 PolarHBondContact O-N 3.27Å; A15-R17 PolarHBondContact O-N 3.31Å | ||
| 16 | R | 56.4 | Low | 64.1 | Low | 240 Ų | 240 | 127.1 Ų | 127.1 | 91% | 0.906 | 70% | 0.696 | S | S | * | * | trans | -55 | 109.2 | 175.6 | -70.7 | -163 | -165.3 | -127 | 8.3 | 105.9 | G14 | G14-R16 PolarHBondContact O-N 2.93Š| ||
| 17 | R | 60.7 | Low | 65.9 | Low | 204 Ų | 204 | 129.3 Ų | 129.3 | 77% | 0.77 | 69% | 0.687 | S | S | * | * | trans | -52 | 127.9 | 174.3 | -111.6 | 176.1 | 162.2 | -110.6 | -5.3 | 107 | A15 R19 | A15-R17 PolarHBondContact O-N 3.31Å; R17-R19 PolarHBondContact O-N 3Å | ||
| 18 | P | 65.5 | Low | 67.7 | Low | 105 Ų | 105 | 126.2 Ų | 126.2 | 68% | 0.682 | 68% | 0.676 | S | S | * | * | trans | -48.9 | 135.7 | 173.5 | -28 | 35.2 | 0 | 0 | 0 | 109.7 | E20 | P18-E20 PolarHBondContact O-N 3.2Š| ||
| 19 | R | 71.7 | Confident | 69.6 | Low | 247 Ų | 247 | 125.3 Ų | 125.3 | 93% | 0.932 | 67% | 0.665 | S | S | * | * | trans | -68.3 | 101 | 177.5 | -174.1 | 176.5 | -178.3 | 136.3 | -0.3 | 107.3 | R17 | R17-R19 PolarHBondContact O-N 3Š| ||
| 20 | E | 72.7 | Confident | 71.8 | Confident | 88 Ų | 88 | 127.5 Ų | 127.5 | 41% | 0.411 | 66% | 0.663 | S | S | . | * | trans | -61.4 | 143.9 | 177.8 | -60.3 | -99.7 | 118.2 | 0 | 0 | 109.3 | P18 Q24 | P18-E20 PolarHBondContact O-N 3.2Å; E20-Q24 PolarHBondContact OE2-OE1 3.1Å | ||
| 21 | P | 82.7 | Confident | 73.9 | Confident | 65 Ų | 65 | 124.8 Ų | 124.8 | 42% | 0.422 | 64% | 0.642 | S | S | . | * | trans | -53.1 | 141.3 | 172.5 | -25.8 | 33.8 | 0 | 0 | 0 | 111.5 | E23 Q24 E25 | P21-E23 PolarHBondContact O-N 2.96Å; P21-Q24 PolarHBondContact O-N 3.36Å; P21-E25 PolarHBondContact O-N 2.99Å | ||
| 22 | P | 84.2 | Confident | 76.2 | Confident | 98 Ų | 98 | 127 Ų | 127 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -56.8 | -27.9 | -176.8 | 22.1 | -33 | 0 | 0 | 0 | 113.1 | L26 | P22-L26 WeakPolarHBondContact O-CG 3.33Å; P22-L26 PolarHBondContact O-N 3.21Å; P22-L26 VanDerWaalsContact O-N 3.13Å |
| 23 | E | 86.1 | Confident | 78.4 | Confident | 156 Ų | 156 | 129.1 Ų | 129.1 | 73% | 0.729 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.7 | -41.6 | 175.7 | -60.3 | -171.7 | 152.6 | 0 | 0 | 112.8 | P21 L26 Q27 | P21-E23 PolarHBondContact O-N 2.96Å; E23-L26 PolarHBondContact O-N 2.97Å; E23-Q27 PolarHBondContact O-N 3.24Å |
| 24 | Q | 86.8 | Confident | 80.6 | Confident | 91 Ų | 91 | 131 Ų | 131 | 43% | 0.425 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.6 | -38.2 | 178.1 | -71.4 | -177.8 | -6.1 | 0 | 0 | 111.3 | E20 P21 Q27 R28 | E20-Q24 PolarHBondContact OE2-OE1 3.1Å; P21-Q24 PolarHBondContact O-N 3.36Å; Q24-Q27 PolarHBondContact O-N 3.09Å; Q24-R28 WeakPolarHBondContact O-CG 2.96Å; Q24-R28 PolarHBondContact O-N 2.98Å |
| 25 | E | 88 | Confident | 82.9 | Confident | 133 Ų | 133 | 136 Ų | 136 | 62% | 0.621 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.6 | -45.1 | 175.9 | -171.4 | 175.8 | -179.8 | 0 | 0 | 111.8 | P21 Q27 R28 R29 | P21-E25 PolarHBondContact O-N 2.99Å; E25-Q27 VanDerWaalsContact C-N 3.32Å; E25-Q27 PolarHBondContact O-N 3.27Å; E25-R28 PolarHBondContact O-N 3Å; E25-R29 WeakPolarHBondContact O-CB 3.26Å; E25-R29 PolarHBondContact O-N 3.27Å |
| 26 | L | 90.7 | Very high | 84.9 | Confident | 105 Ų | 105 | 139.4 Ų | 139.4 | 55% | 0.55 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60.3 | -41.6 | 175.1 | -74.3 | 171.8 | 0 | 0 | 0 | 111.9 | P22 E23 R29 R30 | P22-L26 WeakPolarHBondContact O-CG 3.33Å; P22-L26 PolarHBondContact O-N 3.21Å; P22-L26 VanDerWaalsContact O-N 3.13Å; E23-L26 PolarHBondContact O-N 2.97Å; L26-R29 PolarHBondContact O-N 2.87Å; L26-R30 WeakPolarHBondContact O-CG 3.47Å; L26-R30 PolarHBondContact O-N 3.48Å |
| 27 | Q | 92.1 | Very high | 86.7 | Confident | 118 Ų | 118 | 132.7 Ų | 132.7 | 55% | 0.551 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.2 | -46.3 | 177.8 | -174.3 | 164.9 | -14.3 | 0 | 0 | 112.1 | E23 Q24 E25 R29 R30 E31 | E23-Q27 PolarHBondContact O-N 3.24Å; Q24-Q27 PolarHBondContact O-N 3.09Å; E25-Q27 VanDerWaalsContact C-N 3.32Å; E25-Q27 PolarHBondContact O-N 3.27Å; Q27-R29 VanDerWaalsContact C-N 3.3Å; Q27-R29 PolarHBondContact O-N 3.39Å; Q27-R30 PolarHBondContact O-N 3.27Å; Q27-E31 PolarHBondContact O-N 3.41Å |
| 28 | R | 91.2 | Very high | 88.4 | Confident | 154 Ų | 154 | 127.1 Ų | 127.1 | 58% | 0.581 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.3 | -39.6 | 174.9 | -70.3 | -173.4 | 83.3 | -108.8 | 1 | 112.1 | Q24 E25 E31 Q32 | Q24-R28 WeakPolarHBondContact O-CG 2.96Å; Q24-R28 PolarHBondContact O-N 2.98Å; E25-R28 PolarHBondContact O-N 3Å; R28-E31 PolarHBondContact O-N 2.96Å; R28-Q32 WeakPolarHBondContact O-CB 3.33Å; R28-Q32 PolarHBondContact O-N 3.16Å |
| 29 | R | 92.4 | Very high | 89.8 | Confident | 161 Ų | 161 | 124.8 Ų | 124.8 | 61% | 0.608 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.7 | -37.1 | 178.9 | -152.9 | 174.5 | -171.9 | -110 | 1.9 | 111.9 | E25 L26 Q27 K33 | E25-R29 WeakPolarHBondContact O-CB 3.26Å; E25-R29 PolarHBondContact O-N 3.27Å; L26-R29 PolarHBondContact O-N 2.87Å; Q27-R29 VanDerWaalsContact C-N 3.3Å; Q27-R29 PolarHBondContact O-N 3.39Å; R29-K33 PolarHBondContact O-N 3.39Å; R29-K33 VanDerWaalsContact O-N 3.16Å |
| 30 | R | 94.4 | Very high | 90.9 | Very high | 174 Ų | 174 | 118.5 Ų | 118.5 | 66% | 0.657 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.8 | -45.2 | 172.3 | -72.9 | 175.7 | 176 | -178.5 | -0.4 | 111.6 | L26 Q27 K33 R34 | L26-R30 WeakPolarHBondContact O-CG 3.47Å; L26-R30 PolarHBondContact O-N 3.48Å; Q27-R30 PolarHBondContact O-N 3.27Å; R30-K33 PolarHBondContact O-N 2.86Å; R30-R34 PolarHBondContact O-N 2.86Å |
| 31 | E | 94.4 | Very high | 91.9 | Very high | 68 Ų | 68 | 118.3 Ų | 118.3 | 32% | 0.318 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 175.5 | -78.8 | 173.3 | -164.9 | 0 | 0 | 112.6 | Q27 R28 K33 R34 R35 | Q27-E31 PolarHBondContact O-N 3.41Å; R28-E31 PolarHBondContact O-N 2.96Å; E31-K33 VanDerWaalsContact C-N 3.33Å; E31-K33 PolarHBondContact O-N 3.42Å; E31-R34 PolarHBondContact O-N 3.49Å; E31-R35 WeakPolarHBondContact O-CG 3.43Å; E31-R35 PolarHBondContact O-N 2.65Å |
| 32 | Q | 94.1 | Very high | 92.4 | Very high | 107 Ų | 107 | 120.2 Ų | 120.2 | 50% | 0.5 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.9 | -37.1 | 178.9 | -166.3 | 178.1 | 30 | 0 | 0 | 112.1 | R28 R36 | R28-Q32 WeakPolarHBondContact O-CB 3.33Å; R28-Q32 PolarHBondContact O-N 3.16Å; Q32-R36 WeakPolarHBondContact O-CG 3.33Å; Q32-R36 PolarHBondContact O-N 2.98Å; Q32-R36 VanDerWaalsContact O-N 3.11Å |
| 33 | K | 95.7 | Very high | 92.8 | Very high | 137 Ų | 137 | 122.4 Ų | 122.4 | 60% | 0.596 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64 | -44.8 | 172.7 | -79.4 | -176 | 177.3 | -170.3 | 0 | 112 | R29 R30 E31 R36 H37 | R29-K33 PolarHBondContact O-N 3.39Å; R29-K33 VanDerWaalsContact O-N 3.16Å; R30-K33 PolarHBondContact O-N 2.86Å; E31-K33 VanDerWaalsContact C-N 3.33Å; E31-K33 PolarHBondContact O-N 3.42Å; K33-R36 PolarHBondContact O-N 3.05Å; K33-H37 PolarHBondContact O-N 2.89Å; K33-H37 VanDerWaalsContact O-N 3.07Å |
| 34 | R | 95 | Very high | 93 | Very high | 134 Ų | 134 | 120.4 Ų | 120.4 | 51% | 0.506 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.5 | -50 | 175 | -71.5 | -168 | -63.1 | -93.1 | 8.8 | 111.4 | R30 E31 R36 H37 D38 | R30-R34 PolarHBondContact O-N 2.86Å; E31-R34 PolarHBondContact O-N 3.49Å; R34-R36 VanDerWaalsContact C-N 3.28Å; R34-R36 PolarHBondContact O-N 3.37Å; R34-H37 WeakPolarHBondContact O-CA 3.46Å; R34-H37 WeakPolarHBondContact O-CB 3.34Å; R34-H37 PolarHBondContact O-N 3.38Å; R34-D38 PolarHBondContact O-N 3.49Å |
| 35 | R | 94.6 | Very high | 93.2 | Very high | 178 Ų | 178 | 120.9 Ų | 120.9 | 67% | 0.672 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -56.4 | -38.9 | 177.8 | -72.1 | 176.2 | -177.9 | -99.8 | 2.2 | 113.4 | E31 A39 | E31-R35 WeakPolarHBondContact O-CG 3.43Å; E31-R35 PolarHBondContact O-N 2.65Å; R35-A39 VanDerWaalsContact O-CB 3.28Å; R35-A39 WeakPolarHBondContact O-CB 3.47Å; R35-A39 PolarHBondContact O-N 2.84Å |
| 36 | R | 94.6 | Very high | 93.2 | Very high | 164 Ų | 164 | 121.2 Ų | 121.2 | 62% | 0.619 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.7 | -43.7 | 175.9 | -75.1 | -179.6 | -177.6 | -172.5 | 1.4 | 111.7 | Q32 K33 R34 A39 Q40 | Q32-R36 WeakPolarHBondContact O-CG 3.33Å; Q32-R36 PolarHBondContact O-N 2.98Å; Q32-R36 VanDerWaalsContact O-N 3.11Å; K33-R36 PolarHBondContact O-N 3.05Å; R34-R36 VanDerWaalsContact C-N 3.28Å; R34-R36 PolarHBondContact O-N 3.37Å; R36-A39 PolarHBondContact O-N 2.99Å; R36-Q40 WeakPolarHBondContact O-CG 3.38Å; R36-Q40 PolarHBondContact O-N 3.48Å |
| 37 | H | 94.2 | Very high | 93.1 | Very high | 100 Ų | 100 | 121.7 Ų | 121.7 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62 | -46.4 | 176.3 | -177.9 | -90 | 0 | 0 | 0 | 111.3 | K33 R34 A39 Q40 Q41 | K33-H37 PolarHBondContact O-N 2.89Å; K33-H37 VanDerWaalsContact O-N 3.07Å; R34-H37 WeakPolarHBondContact O-CA 3.46Å; R34-H37 WeakPolarHBondContact O-CB 3.34Å; R34-H37 PolarHBondContact O-N 3.38Å; H37-A39 PolarHBondContact O-N 2.96Å; H37-Q40 WeakPolarHBondContact O-CB 3.48Å; H37-Q40 PolarHBondContact O-N 2.95Å; H37-Q41 WeakPolarHBondContact O-CG 3.18Å; H37-Q41 PolarHBondContact O-N 3.1Å |
| 38 | D | 95.8 | Very high | 92.8 | Very high | 86 Ų | 86 | 120.5 Ų | 120.5 | 46% | 0.46 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 178.1 | -58.9 | -21.9 | 0 | 0 | 0 | 111.5 | R34 Q40 Q41 L42 | R34-D38 PolarHBondContact O-N 3.49Å; D38-Q40 VanDerWaalsContact C-N 3.32Å; D38-Q40 PolarHBondContact O-N 3.3Å; D38-Q41 PolarHBondContact O-N 3.16Å; D38-L42 WeakPolarHBondContact O-CB 3.42Å; D38-L42 VanDerWaalsContact O-CG 3.29Å; D38-L42 WeakPolarHBondContact O-CG 3.4Å; D38-L42 PolarHBondContact O-N 2.86Å |
| 39 | A | 94.8 | Very high | 92.7 | Very high | 56 Ų | 56 | 118.7 Ų | 118.7 | 46% | 0.463 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.6 | -38.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R35 R36 H37 Q43 | R35-A39 VanDerWaalsContact O-CB 3.28Å; R35-A39 WeakPolarHBondContact O-CB 3.47Å; R35-A39 PolarHBondContact O-N 2.84Å; R36-A39 PolarHBondContact O-N 2.99Å; H37-A39 PolarHBondContact O-N 2.96Å; A39-Q43 WeakPolarHBondContact O-CB 3.25Å; A39-Q43 PolarHBondContact O-N 2.98Å |
| 40 | Q | 94.8 | Very high | 92.3 | Very high | 116 Ų | 116 | 113.4 Ų | 113.4 | 54% | 0.542 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.9 | -43.9 | 174.8 | -74.4 | 176.2 | -19.4 | 0 | 0 | 111.7 | R36 H37 D38 Q43 Q44 | R36-Q40 WeakPolarHBondContact O-CG 3.38Å; R36-Q40 PolarHBondContact O-N 3.48Å; H37-Q40 WeakPolarHBondContact O-CB 3.48Å; H37-Q40 PolarHBondContact O-N 2.95Å; D38-Q40 VanDerWaalsContact C-N 3.32Å; D38-Q40 PolarHBondContact O-N 3.3Å; Q40-Q43 PolarHBondContact O-N 2.95Å; Q40-Q44 WeakPolarHBondContact O-CG 3.31Å; Q40-Q44 PolarHBondContact O-N 3.4Å |
| 41 | Q | 94.6 | Very high | 91.8 | Very high | 83 Ų | 83 | 111.3 Ų | 111.3 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 175.5 | -72 | -68.3 | -41.7 | 0 | 0 | 111.2 | H37 D38 Q43 Q44 L45 | H37-Q41 WeakPolarHBondContact O-CG 3.18Å; H37-Q41 PolarHBondContact O-N 3.1Å; D38-Q41 PolarHBondContact O-N 3.16Å; Q41-Q43 VanDerWaalsContact C-N 3.3Å; Q41-Q43 PolarHBondContact O-N 3.3Å; Q41-Q44 PolarHBondContact O-N 2.9Å; Q41-L45 WeakPolarHBondContact O-CD1 3.43Å; Q41-L45 PolarHBondContact O-N 2.82Å |
| 42 | L | 93 | Very high | 91.2 | Very high | 106 Ų | 106 | 116.6 Ų | 116.6 | 56% | 0.555 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.6 | -36.3 | 176 | -71.6 | 173.1 | 0 | 0 | 0 | 112.4 | D38 K46 | D38-L42 WeakPolarHBondContact O-CB 3.42Å; D38-L42 VanDerWaalsContact O-CG 3.29Å; D38-L42 WeakPolarHBondContact O-CG 3.4Å; D38-L42 PolarHBondContact O-N 2.86Å; L42-K46 WeakPolarHBondContact O-CB 3.49Å; L42-K46 VanDerWaalsContact O-CG 3.31Å; L42-K46 WeakPolarHBondContact O-CG 3.32Å; L42-K46 PolarHBondContact O-N 2.95Å |
| 43 | Q | 92.1 | Very high | 90.5 | Very high | 143 Ų | 143 | 118.3 Ų | 118.3 | 67% | 0.668 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67 | -39.3 | 175.8 | -172.6 | 179.5 | -2.8 | 0 | 0 | 111.6 | A39 Q40 Q41 H47 | A39-Q43 WeakPolarHBondContact O-CB 3.25Å; A39-Q43 PolarHBondContact O-N 2.98Å; Q40-Q43 PolarHBondContact O-N 2.95Å; Q41-Q43 VanDerWaalsContact C-N 3.3Å; Q41-Q43 PolarHBondContact O-N 3.3Å; Q43-H47 WeakPolarHBondContact O-CB 3.37Å; Q43-H47 PolarHBondContact O-N 3.45Å |
| 44 | Q | 90.7 | Very high | 89.7 | Confident | 114 Ų | 114 | 118.6 Ų | 118.6 | 53% | 0.533 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 175 | -72.9 | 176.7 | -17.3 | 0 | 0 | 111.6 | Q40 Q41 H47 L48 | Q40-Q44 WeakPolarHBondContact O-CG 3.31Å; Q40-Q44 PolarHBondContact O-N 3.4Å; Q41-Q44 PolarHBondContact O-N 2.9Å; Q44-H47 WeakPolarHBondContact O-CB 3.29Å; Q44-H47 PolarHBondContact O-N 3.36Å; Q44-L48 WeakPolarHBondContact O-CG 2.96Å; Q44-L48 PolarHBondContact O-N 3.45Å |
| 45 | L | 89.6 | Confident | 88.7 | Confident | 101 Ų | 101 | 115.9 Ų | 115.9 | 53% | 0.529 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 175.5 | -97.3 | 66.4 | 0 | 0 | 0 | 111.7 | Q41 H47 L48 E49 | Q41-L45 WeakPolarHBondContact O-CD1 3.43Å; Q41-L45 PolarHBondContact O-N 2.82Å; L45-H47 PolarHBondContact O-N 3.19Å; L45-L48 PolarHBondContact O-N 2.91Å; L45-L48 VanDerWaalsContact O-N 3.12Å; L45-E49 WeakPolarHBondContact O-CB 3.47Å; L45-E49 PolarHBondContact O-N 3Å |
| 46 | K | 88.6 | Confident | 87.9 | Confident | 141 Ų | 141 | 111.6 Ų | 111.6 | 61% | 0.613 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.2 | -34.7 | 175.4 | -78.6 | -179.6 | 178.1 | -177.2 | 0 | 112.7 | L42 S50 | L42-K46 WeakPolarHBondContact O-CB 3.49Å; L42-K46 VanDerWaalsContact O-CG 3.31Å; L42-K46 WeakPolarHBondContact O-CG 3.32Å; L42-K46 PolarHBondContact O-N 2.95Å; K46-S50 VanDerWaalsContact O-CB 3.25Å; K46-S50 WeakPolarHBondContact O-CB 3.44Å; K46-S50 PolarHBondContact O-N 3.36Å; K46-S50 PolarHBondContact O-OG 3.46Å |
| 47 | H | 88.6 | Confident | 86.9 | Confident | 114 Ų | 114 | 110.5 Ų | 110.5 | 53% | 0.528 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.3 | -44.1 | 176 | -178.5 | 55.7 | 0 | 0 | 0 | 111.2 | Q43 Q44 L45 S50 F51 | Q43-H47 WeakPolarHBondContact O-CB 3.37Å; Q43-H47 PolarHBondContact O-N 3.45Å; Q44-H47 WeakPolarHBondContact O-CB 3.29Å; Q44-H47 PolarHBondContact O-N 3.36Å; L45-H47 PolarHBondContact O-N 3.19Å; H47-S50 PolarHBondContact O-OG 2.98Å; H47-F51 WeakPolarHBondContact O-CB 3.36Å; H47-F51 PolarHBondContact O-N 3.31Å |
| 48 | L | 86.9 | Confident | 85.8 | Confident | 94 Ų | 94 | 108.8 Ų | 108.8 | 49% | 0.492 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.7 | -48.2 | 176.3 | -67 | 174.8 | 0 | 0 | 0 | 111.7 | Q44 L45 F51 Y52 | Q44-L48 WeakPolarHBondContact O-CG 2.96Å; Q44-L48 PolarHBondContact O-N 3.45Å; L45-L48 PolarHBondContact O-N 2.91Å; L45-L48 VanDerWaalsContact O-N 3.12Å; L48-F51 PolarHBondContact O-N 3.45Å; L48-Y52 HydrophobicContact CD2-CD2 4.19Å; L48-Y52 HydrophobicContact CD2-CE2 3.89Å; L48-Y52 WeakPolarHBondContact O-CB 3.22Å; L48-Y52 WeakPolarHBondContact O-CD2 3.32Å; L48-Y52 PolarHBondContact O-N 2.87Å |
| 49 | E | 87.4 | Confident | 84.6 | Confident | 116 Ų | 116 | 110.4 Ų | 110.4 | 54% | 0.542 | 57% | 0.573 | S | S | . | * | I | π-helix | trans | -59.2 | -52.3 | 177.5 | -163.8 | -173.3 | 171.2 | 0 | 0 | 110.7 | L45 F51 E53 | L45-E49 WeakPolarHBondContact O-CB 3.47Å; L45-E49 PolarHBondContact O-N 3Å; E49-F51 VanDerWaalsContact C-N 3.35Å; E49-F51 PolarHBondContact O-N 3.3Å; E49-E53 WeakPolarHBondContact CG-OE2 3.27Å; E49-E53 WeakPolarHBondContact O-CA 3.42Å; E49-E53 WeakPolarHBondContact O-CB 3.42Å; E49-E53 PolarHBondContact O-N 3.41Å |
| 50 | S | 83.8 | Confident | 83.6 | Confident | 49 Ų | 49 | 114.8 Ų | 114.8 | 34% | 0.343 | 59% | 0.588 | S | S | . | * | I | π-helix | trans | -70.1 | -26.9 | -178.7 | 62.2 | 0 | 0 | 0 | 0 | 114.9 | K46 H47 K54 | K46-S50 VanDerWaalsContact O-CB 3.25Å; K46-S50 WeakPolarHBondContact O-CB 3.44Å; K46-S50 PolarHBondContact O-N 3.36Å; K46-S50 PolarHBondContact O-OG 3.46Å; H47-S50 PolarHBondContact O-OG 2.98Å; S50-K54 WeakPolarHBondContact O-CB 3.49Å |
| 51 | F | 85.2 | Confident | 82.4 | Confident | 130 Ų | 130 | 117.7 Ų | 117.7 | 57% | 0.57 | 60% | 0.598 | S | S | * | * | I | π-helix | trans | -86.1 | -38.2 | -178.2 | -176.1 | -100.5 | 0 | 0 | 0 | 112.6 | H47 L48 E49 | H47-F51 WeakPolarHBondContact O-CB 3.36Å; H47-F51 PolarHBondContact O-N 3.31Å; L48-F51 PolarHBondContact O-N 3.45Å; E49-F51 VanDerWaalsContact C-N 3.35Å; E49-F51 PolarHBondContact O-N 3.3Å |
| 52 | Y | 80.5 | Confident | 81.2 | Confident | 179 Ų | 179 | 122.2 Ų | 122.2 | 70% | 0.702 | 62% | 0.619 | S | S | * | * | I | π-helix | trans | -98.6 | -31.5 | -177.7 | -71.2 | -73.2 | 0 | 0 | 0 | 113.9 | L48 | L48-Y52 HydrophobicContact CD2-CD2 4.19Å; L48-Y52 HydrophobicContact CD2-CE2 3.89Å; L48-Y52 WeakPolarHBondContact O-CB 3.22Å; L48-Y52 WeakPolarHBondContact O-CD2 3.32Å; L48-Y52 PolarHBondContact O-N 2.87Å |
| 53 | E | 80 | Confident | 80.1 | Confident | 144 Ų | 144 | 124.3 Ų | 124.3 | 67% | 0.673 | 63% | 0.631 | S | S | * | * | I | π-helix | trans | -89.1 | -27.5 | -173.8 | -150.9 | 178.1 | -176.1 | 0 | 0 | 112.4 | E49 | E49-E53 WeakPolarHBondContact CG-OE2 3.27Å; E49-E53 WeakPolarHBondContact O-CA 3.42Å; E49-E53 WeakPolarHBondContact O-CB 3.42Å; E49-E53 PolarHBondContact O-N 3.41Å |
| 54 | K | 79.9 | Confident | 79.1 | Confident | 142 Ų | 142 | 125.9 Ų | 125.9 | 62% | 0.617 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -79.6 | 128.4 | 172.5 | -67.7 | 179.4 | -168 | 172.7 | 0 | 109.6 | S50 | S50-K54 WeakPolarHBondContact O-CB 3.49Š|
| 55 | P | 73.6 | Confident | 78.2 | Confident | 78 Ų | 78 | 126.8 Ų | 126.8 | 51% | 0.506 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -59.3 | 148.7 | 173.3 | 26 | -33.6 | 0 | 0 | 0 | 110 | L59 | P55-L59 HydrophobicContact CB-CB 4.19Å; P55-L59 HydrophobicContact CB-CD2 3.76Å |
| 56 | P | 76.3 | Confident | 77.9 | Confident | 88 Ų | 88 | 127.5 Ų | 127.5 | 57% | 0.571 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 144.5 | 178.7 | 21.7 | -31.7 | 0 | 0 | 0 | 110.9 | G58 L59 | P56-G58 PolarHBondContact O-N 2.89Å; P56-G58 VanDerWaalsContact O-N 3.11Å; P56-L59 PolarHBondContact O-N 3.33Å; P56-L59 VanDerWaalsContact O-N 3.1Å |
| 57 | P | 74.3 | Confident | 77.3 | Confident | 140 Ų | 140 | 123.8 Ų | 123.8 | 91% | 0.909 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | 119.9 | 171.8 | -20 | 30 | 0 | 0 | 0 | 109.5 | ||
| 58 | G | 71.1 | Confident | 76.9 | Confident | 65 Ų | 65 | 119.4 Ų | 119.4 | 67% | 0.67 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 107.3 | -2.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | P56 I60 | P56-G58 PolarHBondContact O-N 2.89Å; P56-G58 VanDerWaalsContact O-N 3.11Å; G58-I60 PolarHBondContact O-N 3.47Å |
| 59 | L | 71.5 | Confident | 76.7 | Confident | 119 Ų | 119 | 119.4 Ų | 119.4 | 62% | 0.623 | 62% | 0.622 | S | S | * | * | trans | -70.9 | 85.6 | 162.2 | -161.7 | 69.2 | 0 | 0 | 0 | 108.1 | P55 P56 K61 | P55-L59 HydrophobicContact CB-CB 4.19Å; P55-L59 HydrophobicContact CB-CD2 3.76Å; P56-L59 PolarHBondContact O-N 3.33Å; P56-L59 VanDerWaalsContact O-N 3.1Å; L59-K61 PolarHBondContact O-N 3.06Å | ||
| 60 | I | 72.5 | Confident | 76.6 | Confident | 149 Ų | 149 | 118 Ų | 118 | 76% | 0.764 | 62% | 0.623 | S | S | * | * | trans | -56.7 | 112.1 | 168.9 | -64.5 | 126.9 | 0 | 0 | 0 | 105.2 | G58 E62 | G58-I60 PolarHBondContact O-N 3.47Å; I60-E62 PolarHBondContact O-N 2.7Å | ||
| 61 | K | 70 | Confident | 76.7 | Confident | 176 Ų | 176 | 115.7 Ų | 115.7 | 77% | 0.765 | 61% | 0.607 | S | S | * | * | trans | -58.3 | 111.6 | 169.3 | -64.3 | -179.9 | -179.2 | -176.9 | 0 | 104.9 | L59 D63 | L59-K61 PolarHBondContact O-N 3.06Å; K61-D63 PolarHBondContact O-N 3.19Å | ||
| 62 | E | 69.2 | Low | 76.6 | Confident | 178 Ų | 178 | 112.1 Ų | 112.1 | 83% | 0.832 | 60% | 0.597 | S | S | * | * | trans | -52 | 128.3 | 168 | -67.5 | -179.5 | 163.6 | 0 | 0 | 106.4 | I60 E64 | I60-E62 PolarHBondContact O-N 2.7Å; E62-E64 PolarHBondContact O-N 3.2Å | ||
| 63 | D | 69.4 | Low | 76.9 | Confident | 150 Ų | 150 | 109.8 Ų | 109.8 | 80% | 0.802 | 60% | 0.597 | S | S | * | * | trans | -52.8 | 115.4 | 179.7 | -73.5 | -50.6 | 0 | 0 | 0 | 107.6 | K61 T65 | K61-D63 PolarHBondContact O-N 3.19Å; D63-T65 PolarHBondContact O-N 3.26Å | ||
| 64 | E | 72.8 | Confident | 77 | Confident | 176 Ų | 176 | 106.3 Ų | 106.3 | 82% | 0.822 | 59% | 0.585 | S | S | * | * | trans | -54 | 110.7 | 179 | -68.9 | -179.2 | 178.1 | 0 | 0 | 107.3 | E62 K66 | E62-E64 PolarHBondContact O-N 3.2Å; E64-K66 WeakPolarHBondContact O-CG 3.23Å; E64-K66 PolarHBondContact O-N 2.97Å | ||
| 65 | T | 71.7 | Confident | 77.2 | Confident | 134 Ų | 134 | 105.1 Ų | 105.1 | 82% | 0.822 | 59% | 0.592 | S | S | * | * | trans | -55.3 | 111.5 | -174.9 | 49.7 | 0 | 0 | 0 | 0 | 109.1 | D63 | D63-T65 PolarHBondContact O-N 3.26Š| ||
| 66 | K | 81.8 | Confident | 77.7 | Confident | 115 Ų | 115 | 103.1 Ų | 103.1 | 50% | 0.5 | 59% | 0.586 | S | S | . | * | trans | -84.4 | 150.7 | -168.1 | -52.7 | -178.3 | -174.2 | 166.2 | 0 | 109.8 | E64 E68 D69 | E64-K66 WeakPolarHBondContact O-CG 3.23Å; E64-K66 PolarHBondContact O-N 2.97Å; K66-E68 HydrophobicContact CB-CG 4.16Å; K66-E68 WeakPolarHBondContact CB-OE1 3.46Å; K66-E68 WeakPolarHBondContact CB-OE2 3.41Å; K66-E68 WeakPolarHBondContact CD-OE1 3.38Å; K66-E68 PolarHBondContact O-N 2.95Å; K66-E68 VanDerWaalsContact O-N 3.13Å; K66-D69 PolarHBondContact N-OD2 3.41Å; K66-D69 VanDerWaalsContact N-OD2 3.11Å; K66-D69 WeakPolarHBondContact O-CB 3.36Å; K66-D69 PolarHBondContact O-N 2.98Å | ||
| 67 | P | 77 | Confident | 78.2 | Confident | 63 Ų | 63 | 99.1 Ų | 99.1 | 41% | 0.409 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -59.6 | -26.8 | -176.9 | 23.6 | -34.1 | 0 | 0 | 0 | 113.9 | D69 L84 | P67-D69 VanDerWaalsContact C-N 3.31Å; P67-D69 PolarHBondContact O-N 2.93Å; P67-L84 HydrophobicContact CB-CD1 4.45Å |
| 68 | E | 80.3 | Confident | 78.9 | Confident | 23 Ų | 23 | 97.5 Ų | 97.5 | 11% | 0.107 | 54% | 0.54 | C | S | . | . | G | 310 helix | trans | -70.7 | -18.2 | 176.6 | 64.2 | -89.9 | -152.5 | 0 | 0 | 114.7 | K66 C70 I71 R81 L84 A85 | K66-E68 HydrophobicContact CB-CG 4.16Å; K66-E68 WeakPolarHBondContact CB-OE1 3.46Å; K66-E68 WeakPolarHBondContact CB-OE2 3.41Å; K66-E68 WeakPolarHBondContact CD-OE1 3.38Å; K66-E68 PolarHBondContact O-N 2.95Å; K66-E68 VanDerWaalsContact O-N 3.13Å; E68-C70 VanDerWaalsContact C-N 3.3Å; E68-I71 PolarHBondContact O-N 3.38Å; E68-R81 HydrophobicContact CB-CB 4.42Å; E68-R81 PolarHBondContact O-NE 3.44Å; E68-R81 PolarHBondContact O-NH2 3.3Å; E68-L84 HydrophobicContact CB-CB 4.11Å; E68-A85 HydrophobicContact CG-CB 4.43Å |
| 69 | D | 83.2 | Confident | 79.6 | Confident | 94 Ų | 94 | 100.1 Ų | 100.1 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -75.8 | -23.3 | -178.7 | -64.2 | -34 | 0 | 0 | 0 | 112.2 | K66 P67 I71 R81 | K66-D69 PolarHBondContact N-OD2 3.41Å; K66-D69 VanDerWaalsContact N-OD2 3.11Å; K66-D69 WeakPolarHBondContact O-CB 3.36Å; K66-D69 PolarHBondContact O-N 2.98Å; P67-D69 VanDerWaalsContact C-N 3.31Å; P67-D69 PolarHBondContact O-N 2.93Å; D69-I71 PolarHBondContact O-N 3.05Å; D69-R81 IonicContact OD1-NH2 3.89Å |
| 70 | C | 85.1 | Confident | 80.4 | Confident | 85 Ų | 85 | 94.7 Ų | 94.7 | 57% | 0.574 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -71.6 | -10.4 | 173 | -68.5 | 0 | 0 | 0 | 0 | 113.1 | E68 V102 | E68-C70 VanDerWaalsContact C-N 3.3Å; C70-V102 HydrophobicContact CB-CG1 3.09Å |
| 71 | I | 84.9 | Confident | 81.2 | Confident | 1 Ų | 1 | 90.4 Ų | 90.4 | 1% | 0.005 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -100.6 | 116.9 | 178.4 | -61.2 | -177.3 | 0 | 0 | 0 | 109.1 | E68 D69 N77 A80 R81 L84 V102 Y111 | E68-I71 PolarHBondContact O-N 3.38Å; D69-I71 PolarHBondContact O-N 3.05Å; I71-N77 HydrophobicContact CG2-CB 3.78Å; I71-A80 HydrophobicContact CD1-CB 3.75Å; I71-R81 HydrophobicContact CB-CG 3.81Å; I71-R81 HydrophobicContact CG2-CG 3.62Å; I71-R81 WeakPolarHBondContact O-CD 3.36Å; I71-R81 PolarHBondContact O-NE 3.35Å; I71-L84 HydrophobicContact CD1-CD1 3.66Å; I71-V102 HydrophobicContact CG1-CG1 4.34Å; I71-Y111 HydrophobicContact CG1-CD1 4.28Å; I71-Y111 HydrophobicContact CG2-CG 4.06Å |
| 72 | P | 84.3 | Confident | 82.1 | Confident | 55 Ų | 55 | 87.6 Ų | 87.6 | 36% | 0.357 | 47% | 0.471 | S | S | . | . | trans | -60.6 | 144.7 | 178.8 | -23.7 | 33.4 | 0 | 0 | 0 | 113.1 | V74 N77 Y111 | P72-V74 PolarHBondContact O-N 3.28Å; P72-N77 PolarHBondContact O-ND2 3.34Å; P72-N77 VanDerWaalsContact O-ND2 3.08Å; P72-Y111 HydrophobicContact CG-CE2 3.87Å | ||
| 73 | D | 85.6 | Confident | 82.9 | Confident | 131 Ų | 131 | 81 Ų | 81 | 70% | 0.701 | 44% | 0.439 | S | S | * | . | trans | -79.1 | 68.8 | 178.2 | -153.6 | 28.3 | 0 | 0 | 0 | 111.9 | R81 | D73-R81 VanDerWaalsContact CB-NH1 3.32Å; D73-R81 IonicContact OD1-NH1 3.2Å; D73-R81 PolarHBondContact OD1-NH1 3.02Å | ||
| 74 | V | 83.4 | Confident | 83.8 | Confident | 71 Ų | 71 | 75 Ų | 75 | 43% | 0.43 | 41% | 0.407 | S | S | . | . | trans | -117.5 | 145.6 | 175.4 | -64.6 | 0 | 0 | 0 | 0 | 109.9 | P72 G76 N77 | P72-V74 PolarHBondContact O-N 3.28Å; V74-G76 PolarHBondContact O-N 2.79Å; V74-N77 HydrophobicContact CG2-CB 4.43Å; V74-N77 WeakPolarHBondContact CG2-ND2 3.48Å; V74-N77 WeakPolarHBondContact O-CB 3.47Å; V74-N77 PolarHBondContact O-N 3.5Å; V74-N77 VanDerWaalsContact O-N 3.1Å | ||
| 75 | P | 83.8 | Confident | 84.4 | Confident | 116 Ų | 116 | 69.3 Ų | 69.3 | 75% | 0.753 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 131.7 | -177.3 | 21.6 | -33.5 | 0 | 0 | 0 | 111 | ||
| 76 | G | 83.2 | Confident | 85.2 | Confident | 37 Ų | 37 | 70.3 Ų | 70.3 | 38% | 0.381 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | -5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | V74 | V74-G76 PolarHBondContact O-N 2.79Š|
| 77 | N | 87.6 | Confident | 85.2 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.016 | 37% | 0.373 | C | S | . | . | trans | -94.8 | -10.5 | 167.1 | -72.2 | -12.3 | 0 | 0 | 0 | 113.5 | I71 P72 V74 H79 A80 R81 R110 Y111 | I71-N77 HydrophobicContact CG2-CB 3.78Å; P72-N77 PolarHBondContact O-ND2 3.34Å; P72-N77 VanDerWaalsContact O-ND2 3.08Å; V74-N77 HydrophobicContact CG2-CB 4.43Å; V74-N77 WeakPolarHBondContact CG2-ND2 3.48Å; V74-N77 WeakPolarHBondContact O-CB 3.47Å; V74-N77 PolarHBondContact O-N 3.5Å; V74-N77 VanDerWaalsContact O-N 3.1Å; N77-H79 VanDerWaalsContact C-N 3.34Å; N77-H79 PolarHBondContact O-N 3.42Å; N77-A80 WeakPolarHBondContact O-CB 3.41Å; N77-A80 PolarHBondContact O-N 2.92Å; N77-R81 PolarHBondContact O-N 2.85Å; N77-R110 WeakPolarHBondContact OD1-CA 3.17Å; N77-Y111 VanDerWaalsContact ND2-CD2 3.28Å; N77-Y111 WeakPolarHBondContact ND2-CD2 3.43Å; N77-Y111 PolarHBondContact OD1-N 3.26Å | ||
| 78 | E | 88.5 | Confident | 85.5 | Confident | 107 Ų | 107 | 67 Ų | 67 | 50% | 0.5 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -49.3 | -50.3 | -175.1 | -67.4 | 162.4 | -170.2 | 0 | 0 | 112.5 | A80 R81 E82 | E78-A80 PolarHBondContact O-N 2.75Å; E78-A80 VanDerWaalsContact O-N 3.13Å; E78-R81 PolarHBondContact O-N 3.02Å; E78-E82 WeakPolarHBondContact O-CG 3.4Å; E78-E82 PolarHBondContact O-N 3.24Å |
| 79 | H | 86.3 | Confident | 85.3 | Confident | 119 Ų | 119 | 72 Ų | 72 | 55% | 0.551 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -54.9 | -36.7 | 178.2 | 179.4 | -65.6 | 0 | 0 | 0 | 113 | N77 F83 | N77-H79 VanDerWaalsContact C-N 3.34Å; N77-H79 PolarHBondContact O-N 3.42Å; H79-F83 VanDerWaalsContact O-CB 3.25Å; H79-F83 WeakPolarHBondContact O-CB 3.41Å; H79-F83 PolarHBondContact O-N 3.24Å; H79-F83 VanDerWaalsContact O-N 3.13Å |
| 80 | A | 88.3 | Confident | 84.9 | Confident | 5 Ų | 5 | 76.8 Ų | 76.8 | 4% | 0.041 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -72.6 | -37.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I71 N77 E78 L84 V100 | I71-A80 HydrophobicContact CD1-CB 3.75Å; N77-A80 WeakPolarHBondContact O-CB 3.41Å; N77-A80 PolarHBondContact O-N 2.92Å; E78-A80 PolarHBondContact O-N 2.75Å; E78-A80 VanDerWaalsContact O-N 3.13Å; A80-L84 WeakPolarHBondContact O-CG 3.38Å; A80-L84 PolarHBondContact O-N 2.84Å; A80-V100 HydrophobicContact CB-CG1 3.51Å |
| 81 | R | 89.2 | Confident | 84.5 | Confident | 59 Ų | 59 | 76 Ų | 76 | 22% | 0.223 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -68.3 | -50 | 176.1 | -63.4 | -167.4 | 83.7 | -178.5 | 4 | 111.4 | E68 D69 I71 D73 N77 E78 F83 L84 A85 | E68-R81 HydrophobicContact CB-CB 4.42Å; E68-R81 PolarHBondContact O-NE 3.44Å; E68-R81 PolarHBondContact O-NH2 3.3Å; D69-R81 IonicContact OD1-NH2 3.89Å; I71-R81 HydrophobicContact CB-CG 3.81Å; I71-R81 HydrophobicContact CG2-CG 3.62Å; I71-R81 WeakPolarHBondContact O-CD 3.36Å; I71-R81 PolarHBondContact O-NE 3.35Å; D73-R81 VanDerWaalsContact CB-NH1 3.32Å; D73-R81 IonicContact OD1-NH1 3.2Å; D73-R81 PolarHBondContact OD1-NH1 3.02Å; N77-R81 PolarHBondContact O-N 2.85Å; E78-R81 PolarHBondContact O-N 3.02Å; R81-F83 VanDerWaalsContact C-N 3.26Å; R81-F83 PolarHBondContact O-N 3.39Å; R81-L84 PolarHBondContact O-N 2.84Å; R81-L84 VanDerWaalsContact O-N 3.14Å; R81-A85 WeakPolarHBondContact O-CB 3.47Å; R81-A85 PolarHBondContact O-N 2.88Å |
| 82 | E | 88.4 | Confident | 84.1 | Confident | 118 Ų | 118 | 82.4 Ų | 82.4 | 55% | 0.551 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -56.9 | -42.7 | 178.3 | -72.5 | 175.5 | -176.7 | 0 | 0 | 111.7 | E78 A85 H86 | E78-E82 WeakPolarHBondContact O-CG 3.4Å; E78-E82 PolarHBondContact O-N 3.24Å; E82-A85 PolarHBondContact O-N 2.91Å; E82-H86 WeakPolarHBondContact O-CB 3.15Å; E82-H86 PolarHBondContact O-N 3.08Å; E82-H86 PolarHBondContact O-ND1 3.27Å |
| 83 | F | 87.4 | Confident | 83.5 | Confident | 39 Ų | 39 | 89.9 Ų | 89.9 | 17% | 0.171 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 177.4 | -176.1 | -87.1 | 0 | 0 | 0 | 111.8 | H79 R81 A87 L96 K98 V100 | H79-F83 VanDerWaalsContact O-CB 3.25Å; H79-F83 WeakPolarHBondContact O-CB 3.41Å; H79-F83 PolarHBondContact O-N 3.24Å; H79-F83 VanDerWaalsContact O-N 3.13Å; R81-F83 VanDerWaalsContact C-N 3.26Å; R81-F83 PolarHBondContact O-N 3.39Å; F83-A87 HydrophobicContact CE1-CB 4.45Å; F83-A87 WeakPolarHBondContact O-CA 3.3Å; F83-A87 WeakPolarHBondContact O-CB 3.49Å; F83-A87 PolarHBondContact O-N 2.85Å; F83-L96 HydrophobicContact CE2-CD1 4.08Å; F83-K98 HydrophobicContact CE2-CB 4.07Å; F83-K98 HydrophobicContact CZ-CB 4.28Å; F83-K98 WeakPolarHBondContact CZ-O 3.32Å; F83-V100 HydrophobicContact CB-CB 4.49Å; F83-V100 HydrophobicContact CB-CG2 3.76Å; F83-V100 HydrophobicContact CD1-CB 3.56Å; F83-V100 HydrophobicContact CD1-CG2 3.26Å; F83-V100 HydrophobicContact CD2-CG2 4.19Å; F83-V100 HydrophobicContact CE1-CB 4.1Å; F83-V100 HydrophobicContact CE1-CG2 3.85Å; F83-V100 HydrophobicContact CG-CB 4.21Å; F83-V100 HydrophobicContact CG-CG2 3.45Å; F83-V100 VanDerWaalsContact CG-CG2 3.45Å |
| 84 | L | 86.2 | Confident | 83.1 | Confident | 25 Ų | 25 | 87.4 Ų | 87.4 | 13% | 0.131 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -69.3 | -37.9 | 179.5 | -71.5 | 174.1 | 0 | 0 | 0 | 112.3 | P67 E68 I71 A80 R81 H86 A87 V100 V102 | P67-L84 HydrophobicContact CB-CD1 4.45Å; E68-L84 HydrophobicContact CB-CB 4.11Å; I71-L84 HydrophobicContact CD1-CD1 3.66Å; A80-L84 WeakPolarHBondContact O-CG 3.38Å; A80-L84 PolarHBondContact O-N 2.84Å; R81-L84 PolarHBondContact O-N 2.84Å; R81-L84 VanDerWaalsContact O-N 3.14Å; L84-H86 VanDerWaalsContact C-N 3.33Å; L84-H86 PolarHBondContact O-N 3.28Å; L84-A87 PolarHBondContact O-N 3.02Å; L84-V100 HydrophobicContact CD1-CG1 4.3Å; L84-V100 HydrophobicContact CD2-CB 4.5Å; L84-V100 HydrophobicContact CG-CB 4.48Å; L84-V100 HydrophobicContact CG-CG1 4.15Å; L84-V102 HydrophobicContact CD1-CG2 3.75Å |
| 85 | A | 86.6 | Confident | 82.5 | Confident | 55 Ų | 55 | 87 Ų | 87 | 46% | 0.455 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.5 | -34.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E68 R81 E82 | E68-A85 HydrophobicContact CG-CB 4.43Å; R81-A85 WeakPolarHBondContact O-CB 3.47Å; R81-A85 PolarHBondContact O-N 2.88Å; E82-A85 PolarHBondContact O-N 2.91Å |
| 86 | H | 88.1 | Confident | 81.9 | Confident | 155 Ų | 155 | 87.4 Ų | 87.4 | 72% | 0.718 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -98.3 | -6.5 | 178.7 | -65.5 | 85.2 | 0 | 0 | 0 | 113.6 | E82 L84 P88 | E82-H86 WeakPolarHBondContact O-CB 3.15Å; E82-H86 PolarHBondContact O-N 3.08Å; E82-H86 PolarHBondContact O-ND1 3.27Å; L84-H86 VanDerWaalsContact C-N 3.33Å; L84-H86 PolarHBondContact O-N 3.28Å; H86-P88 WeakPolarHBondContact O-CD 3.28Å |
| 87 | A | 82.9 | Confident | 81.8 | Confident | 30 Ų | 30 | 88.7 Ų | 88.7 | 25% | 0.248 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -62.8 | 129.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110 | F83 L84 T89 | F83-A87 HydrophobicContact CE1-CB 4.45Å; F83-A87 WeakPolarHBondContact O-CA 3.3Å; F83-A87 WeakPolarHBondContact O-CB 3.49Å; F83-A87 PolarHBondContact O-N 2.85Å; L84-A87 PolarHBondContact O-N 3.02Å; A87-T89 PolarHBondContact O-N 3.06Å |
| 88 | P | 82.2 | Confident | 81.5 | Confident | 79 Ų | 79 | 94.5 Ų | 94.5 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | trans | -58.1 | 106.6 | 169.8 | -24 | 33.5 | 0 | 0 | 0 | 110.2 | H86 K90 P95 | H86-P88 WeakPolarHBondContact O-CD 3.28Å; P88-K90 VanDerWaalsContact C-N 3.29Å; P88-P95 HydrophobicContact CB-CG 4.5Å; P88-P95 HydrophobicContact CG-CG 4.05Å | ||
| 89 | T | 75.3 | Confident | 81.1 | Confident | 129 Ų | 129 | 94.2 Ų | 94.2 | 79% | 0.791 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -71.6 | -27.8 | 178.9 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | A87 | A87-T89 PolarHBondContact O-N 3.06Š|
| 90 | K | 75.9 | Confident | 81.2 | Confident | 194 Ų | 194 | 89.6 Ų | 89.6 | 84% | 0.843 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -108.4 | 113.9 | 178.2 | -61.9 | 179.4 | -177.6 | 177.1 | 0 | 109.2 | P88 | P88-K90 VanDerWaalsContact C-N 3.29Š|
| 91 | G | 76.6 | Confident | 81.2 | Confident | 67 Ų | 67 | 90.7 Ų | 90.7 | 69% | 0.691 | 49% | 0.487 | S | S | * | . | S | Bend | trans | 144.4 | -153 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | W93 | G91-W93 PolarHBondContact O-N 3.03Š|
| 92 | L | 76.1 | Confident | 81.1 | Confident | 136 Ų | 136 | 90.6 Ų | 90.6 | 71% | 0.712 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -55.8 | 126.3 | 177.7 | -170.7 | 64.8 | 0 | 0 | 0 | 109.5 | M94 P95 | L92-M94 PolarHBondContact O-N 3.28Å; L92-P95 WeakPolarHBondContact O-CD 3.36Å |
| 93 | W | 72.9 | Confident | 81.1 | Confident | 212 Ų | 212 | 89.1 Ų | 89.1 | 80% | 0.803 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -55.4 | -14.4 | -174.7 | -179.2 | 49.1 | 0 | 0 | 0 | 114.6 | G91 | G91-W93 PolarHBondContact O-N 3.03Š|
| 94 | M | 75.2 | Confident | 81.2 | Confident | 79 Ų | 79 | 91.6 Ų | 91.6 | 39% | 0.389 | 50% | 0.499 | S | S | . | . | trans | -148.4 | 85.7 | 172.4 | -66.8 | -178.6 | -69.2 | 0 | 0 | 110.2 | L92 L96 | L92-M94 PolarHBondContact O-N 3.28Å; M94-L96 VanDerWaalsContact C-N 3.34Å; M94-L96 PolarHBondContact O-N 3.32Å | ||
| 95 | P | 70.9 | Confident | 81.4 | Confident | 63 Ų | 63 | 90.4 Ų | 90.4 | 41% | 0.409 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -31.8 | -175.3 | 24.3 | -28.9 | 0 | 0 | 0 | 113 | P88 L92 | P88-P95 HydrophobicContact CB-CG 4.5Å; P88-P95 HydrophobicContact CG-CG 4.05Å; L92-P95 WeakPolarHBondContact O-CD 3.36Å |
| 96 | L | 73 | Confident | 81.3 | Confident | 124 Ų | 124 | 96.9 Ų | 96.9 | 65% | 0.649 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | 5.4 | -175.6 | -60.5 | 179.1 | 0 | 0 | 0 | 113.9 | F83 M94 K98 | F83-L96 HydrophobicContact CE2-CD1 4.08Å; M94-L96 VanDerWaalsContact C-N 3.34Å; M94-L96 PolarHBondContact O-N 3.32Å; L96-K98 PolarHBondContact O-N 3.12Å |
| 97 | G | 81 | Confident | 81.2 | Confident | 64 Ų | 64 | 92.8 Ų | 92.8 | 66% | 0.66 | 48% | 0.484 | S | S | * | . | S | Bend | trans | 63.5 | -1.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 98 | K | 80.8 | Confident | 81.5 | Confident | 125 Ų | 125 | 92.3 Ų | 92.3 | 54% | 0.543 | 48% | 0.479 | S | S | . | . | trans | -96.6 | 129.4 | 172.4 | -63.6 | -177.8 | 179.4 | -176.4 | 0 | 108.3 | F83 L96 | F83-K98 HydrophobicContact CE2-CB 4.07Å; F83-K98 HydrophobicContact CZ-CB 4.28Å; F83-K98 WeakPolarHBondContact CZ-O 3.32Å; L96-K98 PolarHBondContact O-N 3.12Å | ||
| 99 | E | 80.4 | Confident | 81.8 | Confident | 101 Ų | 101 | 92.8 Ų | 92.8 | 47% | 0.472 | 47% | 0.473 | S | S | . | . | trans | -115.8 | 122.3 | 176.1 | -175.5 | -172.1 | -175.7 | 0 | 0 | 108.4 | ||||
| 100 | V | 87.3 | Confident | 82.4 | Confident | 22 Ų | 22 | 92.1 Ų | 92.1 | 13% | 0.133 | 46% | 0.456 | C | S | . | . | trans | -102.3 | 127.5 | 174.7 | 175.4 | 0 | 0 | 0 | 0 | 108.9 | A80 F83 L84 G112 | A80-V100 HydrophobicContact CB-CG1 3.51Å; F83-V100 HydrophobicContact CB-CB 4.49Å; F83-V100 HydrophobicContact CB-CG2 3.76Å; F83-V100 HydrophobicContact CD1-CB 3.56Å; F83-V100 HydrophobicContact CD1-CG2 3.26Å; F83-V100 HydrophobicContact CD2-CG2 4.19Å; F83-V100 HydrophobicContact CE1-CB 4.1Å; F83-V100 HydrophobicContact CE1-CG2 3.85Å; F83-V100 HydrophobicContact CG-CB 4.21Å; F83-V100 HydrophobicContact CG-CG2 3.45Å; F83-V100 VanDerWaalsContact CG-CG2 3.45Å; L84-V100 HydrophobicContact CD1-CG1 4.3Å; L84-V100 HydrophobicContact CD2-CB 4.5Å; L84-V100 HydrophobicContact CG-CB 4.48Å; L84-V100 HydrophobicContact CG-CG1 4.15Å; V100-G112 WeakPolarHBondContact CA-O 3.42Å | ||
| 101 | K | 87.8 | Confident | 83.1 | Confident | 28 Ų | 28 | 85.4 Ų | 85.4 | 12% | 0.122 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 136.5 | -178.6 | -62 | 175 | -174 | 148 | 0 | 111 | M103 G112 R114 D117 | K101-M103 HydrophobicContact CB-CG 3.96Å; K101-M103 HydrophobicContact CB-SD 4.37Å; K101-M103 HydrophobicContact CD-SD 4.17Å; K101-M103 PolarHBondContact O-N 3.28Å; K101-G112 PolarHBondContact N-O 2.79Å; K101-G112 CarbonylContact O-C 3.3Å; K101-G112 VanDerWaalsContact O-C 3.3Å; K101-G112 WeakPolarHBondContact O-CA 3.41Å; K101-G112 PolarHBondContact O-N 3.2Å; K101-R114 HydrophobicContact CD-CB 4.39Å; K101-R114 HydrophobicContact CD-CG 3.59Å; K101-D117 IonicContact NZ-OD1 2.7Å; K101-D117 IonicContact NZ-OD2 3.37Å; K101-D117 PolarHBondContact NZ-OD2 3.24Å |
| 102 | V | 88.6 | Confident | 83.7 | Confident | 58 Ų | 58 | 82.6 Ų | 82.6 | 35% | 0.352 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 10 | 178.5 | -177.6 | 0 | 0 | 0 | 0 | 113.2 | C70 I71 L84 Y111 | C70-V102 HydrophobicContact CB-CG1 3.09Å; I71-V102 HydrophobicContact CG1-CG1 4.34Å; L84-V102 HydrophobicContact CD1-CG2 3.75Å; V102-Y111 WeakPolarHBondContact O-CD1 3.43Å |
| 103 | M | 88.3 | Confident | 84.4 | Confident | 87 Ų | 87 | 76.7 Ų | 76.7 | 43% | 0.429 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 152 | -177.9 | 69.8 | -163.1 | -50.6 | 0 | 0 | 112.5 | K101 G112 R114 | K101-M103 HydrophobicContact CB-CG 3.96Å; K101-M103 HydrophobicContact CB-SD 4.37Å; K101-M103 HydrophobicContact CD-SD 4.17Å; K101-M103 PolarHBondContact O-N 3.28Å; M103-G112 PolarHBondContact O-N 2.95Å; M103-R114 HydrophobicContact CE-CG 4.19Å; M103-R114 HydrophobicContact CG-CG 4.3Å; M103-R114 HydrophobicContact SD-CG 3.27Å; M103-R114 WeakPolarHBondContact SD-CG 3.38Å |
| 104 | Q | 89 | Confident | 85.1 | Confident | 90 Ų | 90 | 73 Ų | 73 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 130.9 | 177.1 | -164.6 | -179.3 | 40.6 | 0 | 0 | 111.4 | K109 Y111 | Q104-K109 WeakPolarHBondContact CG-O 3.17Å; Q104-K109 PolarHBondContact NE2-O 3.48Å; Q104-Y111 HydrophobicContact CB-CD1 4.29Å; Q104-Y111 HydrophobicContact CB-CD2 4.23Å; Q104-Y111 HydrophobicContact CB-CE1 3.96Å; Q104-Y111 HydrophobicContact CB-CE2 3.91Å; Q104-Y111 HydrophobicContact CB-CG 4.42Å; Q104-Y111 HydrophobicContact CG-CD2 4.06Å; Q104-Y111 HydrophobicContact CG-CE2 3.77Å |
| 105 | C | 89.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 127.3 | 169.5 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | R107 K109 R110 H113 | C105-R107 PolarHBondContact O-N 3.43Å; C105-K109 WeakPolarHBondContact O-CA 3.48Å; C105-K109 PolarHBondContact O-N 3.38Å; C105-R110 WeakPolarHBondContact CB-O 3.33Å; C105-R110 PolarHBondContact N-O 3.43Å; C105-H113 WeakPolarHBondContact CB-NE2 3.17Å; C105-H113 PolarHBondContact SG-NE2 3.11Å |
| 106 | W | 86 | Confident | 86.1 | Confident | 192 Ų | 192 | 69.6 Ų | 69.6 | 73% | 0.727 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -29.2 | 180 | 176.7 | -108 | 0 | 0 | 0 | 113.1 | K109 T115 | W106-K109 WeakPolarHBondContact O-CE 3.43Å; W106-K109 PolarHBondContact O-NZ 3.02Å; W106-T115 PolarHBondContact N-OG1 3.44Å |
| 107 | R | 85.3 | Confident | 86.7 | Confident | 68 Ų | 68 | 65.9 Ų | 65.9 | 26% | 0.257 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -43.3 | -171.3 | -59.9 | 175.8 | 79.1 | -132.8 | -1.6 | 113.3 | C105 T115 F122 G126 | C105-R107 PolarHBondContact O-N 3.43Å; R107-T115 HydrophobicContact CG-CG2 4.06Å; R107-F122 HydrophobicContact CB-CD2 4.3Å; R107-F122 PolarHBondContact NH1-O 3Å; R107-F122 PolarHBondContact NH2-O 3.38Å; R107-F122 WeakPolarHBondContact O-CD2 2.94Å; R107-F122 WeakPolarHBondContact O-CE2 3.08Å; R107-G126 VanDerWaalsContact NH2-CA 3.26Å |
| 108 | C | 88.4 | Confident | 86.9 | Confident | 21 Ų | 21 | 70.5 Ų | 70.5 | 14% | 0.142 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -3.7 | -179.9 | 61.9 | 0 | 0 | 0 | 0 | 114.1 | R110 H113 F122 | C108-R110 HydrophobicContact CB-CG 4.49Å; C108-R110 PolarHBondContact O-N 3.37Å; C108-H113 PolarHBondContact SG-CE1 2.91Å; C108-H113 PolarHBondContact SG-NE2 2.86Å; C108-F122 HydrophobicContact CB-CD2 3.77Å; C108-F122 HydrophobicContact CB-CE2 3.73Å |
| 109 | K | 88.5 | Confident | 87.1 | Confident | 88 Ų | 88 | 71.1 Ų | 71.1 | 38% | 0.383 | 33% | 0.326 | S | S | . | . | trans | 60 | 8 | -176.2 | -51.7 | -55.3 | -172.1 | -161.6 | 0 | 115.1 | Q104 C105 W106 | Q104-K109 WeakPolarHBondContact CG-O 3.17Å; Q104-K109 PolarHBondContact NE2-O 3.48Å; C105-K109 WeakPolarHBondContact O-CA 3.48Å; C105-K109 PolarHBondContact O-N 3.38Å; W106-K109 WeakPolarHBondContact O-CE 3.43Å; W106-K109 PolarHBondContact O-NZ 3.02Å | ||
| 110 | R | 89.4 | Confident | 87.5 | Confident | 115 Ų | 115 | 66.5 Ų | 66.5 | 43% | 0.434 | 31% | 0.305 | S | S | . | . | trans | -85.1 | 147.5 | 174.3 | -60.8 | -177.3 | -175.2 | 173.7 | -1.5 | 110.6 | N77 C105 C108 | N77-R110 WeakPolarHBondContact OD1-CA 3.17Å; C105-R110 WeakPolarHBondContact CB-O 3.33Å; C105-R110 PolarHBondContact N-O 3.43Å; C108-R110 HydrophobicContact CB-CG 4.49Å; C108-R110 PolarHBondContact O-N 3.37Å | ||
| 111 | Y | 90.2 | Very high | 87.5 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 21% | 0.208 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 168.6 | 172.2 | -73.6 | -107.2 | 0 | 0 | 0 | 110 | I71 P72 N77 V102 Q104 | I71-Y111 HydrophobicContact CG1-CD1 4.28Å; I71-Y111 HydrophobicContact CG2-CG 4.06Å; P72-Y111 HydrophobicContact CG-CE2 3.87Å; N77-Y111 VanDerWaalsContact ND2-CD2 3.28Å; N77-Y111 WeakPolarHBondContact ND2-CD2 3.43Å; N77-Y111 PolarHBondContact OD1-N 3.26Å; V102-Y111 WeakPolarHBondContact O-CD1 3.43Å; Q104-Y111 HydrophobicContact CB-CD1 4.29Å; Q104-Y111 HydrophobicContact CB-CD2 4.23Å; Q104-Y111 HydrophobicContact CB-CE1 3.96Å; Q104-Y111 HydrophobicContact CB-CE2 3.91Å; Q104-Y111 HydrophobicContact CB-CG 4.42Å; Q104-Y111 HydrophobicContact CG-CD2 4.06Å; Q104-Y111 HydrophobicContact CG-CE2 3.77Å |
| 112 | G | 89.2 | Confident | 87.4 | Confident | 9 Ų | 9 | 71.7 Ų | 71.7 | 9% | 0.093 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 105.4 | -13.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.9 | V100 K101 M103 | V100-G112 WeakPolarHBondContact CA-O 3.42Å; K101-G112 PolarHBondContact N-O 2.79Å; K101-G112 CarbonylContact O-C 3.3Å; K101-G112 VanDerWaalsContact O-C 3.3Å; K101-G112 WeakPolarHBondContact O-CA 3.41Å; K101-G112 PolarHBondContact O-N 3.2Å; M103-G112 PolarHBondContact O-N 2.95Å |
| 113 | H | 91 | Very high | 87.3 | Confident | 11 Ų | 11 | 72.6 Ų | 72.6 | 5% | 0.051 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -152.4 | 161.7 | -176.1 | 64.4 | -78.2 | 0 | 0 | 0 | 112.8 | C105 C108 D117 E119 C120 | C105-H113 WeakPolarHBondContact CB-NE2 3.17Å; C105-H113 PolarHBondContact SG-NE2 3.11Å; C108-H113 PolarHBondContact SG-CE1 2.91Å; C108-H113 PolarHBondContact SG-NE2 2.86Å; H113-D117 HydrophobicContact CB-CB 4Å; H113-E119 HydrophobicContact CB-CB 4.08Å; H113-C120 WeakPolarHBondContact NE2-CA 3.47Å; H113-C120 WeakPolarHBondContact NE2-CB 3.29Å |
| 114 | R | 86.3 | Confident | 87.1 | Confident | 136 Ų | 136 | 75.2 Ų | 75.2 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | trans | -82.2 | 155.9 | 173.6 | -80.1 | 174.8 | -163.5 | 176.2 | 3.1 | 111.8 | K101 M103 G116 D117 | K101-R114 HydrophobicContact CD-CB 4.39Å; K101-R114 HydrophobicContact CD-CG 3.59Å; M103-R114 HydrophobicContact CE-CG 4.19Å; M103-R114 HydrophobicContact CG-CG 4.3Å; M103-R114 HydrophobicContact SD-CG 3.27Å; M103-R114 WeakPolarHBondContact SD-CG 3.38Å; R114-G116 PolarHBondContact O-N 2.92Å; R114-D117 WeakPolarHBondContact CB-OD2 3.43Å; R114-D117 PolarHBondContact N-OD2 3.08Å; R114-D117 WeakPolarHBondContact O-CB 3.3Å; R114-D117 PolarHBondContact O-N 2.74Å | ||
| 115 | T | 85.1 | Confident | 86.9 | Confident | 46 Ų | 46 | 79.7 Ų | 79.7 | 28% | 0.282 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 112 | 164.2 | -56 | 0 | 0 | 0 | 0 | 109.7 | W106 R107 | W106-T115 PolarHBondContact N-OG1 3.44Å; R107-T115 HydrophobicContact CG-CG2 4.06Å |
| 116 | G | 82.2 | Confident | 86.4 | Confident | 23 Ų | 23 | 80.6 Ų | 80.6 | 24% | 0.237 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 103.3 | -3.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R114 F123 | R114-G116 PolarHBondContact O-N 2.92Å; G116-F123 WeakPolarHBondContact O-CD2 3.27Å; G116-F123 WeakPolarHBondContact O-CE2 3.5Å |
| 117 | D | 87.2 | Confident | 86.3 | Confident | 46 Ų | 46 | 75.8 Ų | 75.8 | 25% | 0.246 | 36% | 0.362 | C | S | . | . | trans | -69.4 | 153 | 173.7 | -73.5 | -11.7 | 0 | 0 | 0 | 111.3 | K101 H113 R114 E119 C120 F123 | K101-D117 IonicContact NZ-OD1 2.7Å; K101-D117 IonicContact NZ-OD2 3.37Å; K101-D117 PolarHBondContact NZ-OD2 3.24Å; H113-D117 HydrophobicContact CB-CB 4Å; R114-D117 WeakPolarHBondContact CB-OD2 3.43Å; R114-D117 PolarHBondContact N-OD2 3.08Å; R114-D117 WeakPolarHBondContact O-CB 3.3Å; R114-D117 PolarHBondContact O-N 2.74Å; D117-E119 PolarHBondContact O-N 2.94Å; D117-C120 VanDerWaalsContact O-CB 3.29Å; D117-C120 WeakPolarHBondContact O-CB 3.28Å; D117-C120 PolarHBondContact O-N 3.1Å; D117-C120 VanDerWaalsContact O-N 3.12Å; D117-F123 WeakPolarHBondContact O-CD2 3.4Å | ||
| 118 | K | 84.4 | Confident | 86.3 | Confident | 161 Ų | 161 | 77.7 Ų | 77.7 | 70% | 0.7 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -27.7 | 179.1 | -58.5 | -179.6 | -161.4 | -67.4 | 0 | 112.9 | C120 F123 | K118-C120 PolarHBondContact O-N 3.3Å; K118-F123 HydrophobicContact CG-CE1 4.12Å; K118-F123 HydrophobicContact CG-CZ 4.19Å |
| 119 | E | 85.3 | Confident | 86.3 | Confident | 138 Ų | 138 | 84 Ų | 84 | 65% | 0.645 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -16.8 | 177.9 | -52.6 | -51.4 | 130.9 | 0 | 0 | 112.6 | H113 D117 P121 | H113-E119 HydrophobicContact CB-CB 4.08Å; D117-E119 PolarHBondContact O-N 2.94Å; E119-P121 WeakPolarHBondContact O-CD 3.47Å |
| 120 | C | 88.7 | Confident | 86.3 | Confident | 4 Ų | 4 | 85.2 Ų | 85.2 | 3% | 0.027 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -70.7 | 125.7 | 177.9 | -172.1 | 0 | 0 | 0 | 0 | 110.5 | H113 D117 K118 F122 F123 | H113-C120 WeakPolarHBondContact NE2-CA 3.47Å; H113-C120 WeakPolarHBondContact NE2-CB 3.29Å; D117-C120 VanDerWaalsContact O-CB 3.29Å; D117-C120 WeakPolarHBondContact O-CB 3.28Å; D117-C120 PolarHBondContact O-N 3.1Å; D117-C120 VanDerWaalsContact O-N 3.12Å; K118-C120 PolarHBondContact O-N 3.3Å; C120-F122 PolarHBondContact O-N 3.12Å; C120-F123 HydrophobicContact CB-CB 4.37Å; C120-F123 WeakPolarHBondContact O-CB 3.49Å; C120-F123 PolarHBondContact O-N 3.3Å |
| 121 | P | 87.1 | Confident | 86.1 | Confident | 70 Ų | 70 | 81.8 Ų | 81.8 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -27.7 | 176.6 | -27.2 | 35.1 | 0 | 0 | 0 | 113.9 | E119 F123 | E119-P121 WeakPolarHBondContact O-CD 3.47Å; P121-F123 VanDerWaalsContact C-N 3.33Å |
| 122 | F | 85.5 | Confident | 86 | Confident | 90 Ų | 90 | 84.9 Ų | 84.9 | 40% | 0.395 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -86.2 | 2.7 | 177.9 | -60.9 | -65 | 0 | 0 | 0 | 113.5 | R107 C108 C120 G126 | R107-F122 HydrophobicContact CB-CD2 4.3Å; R107-F122 PolarHBondContact NH1-O 3Å; R107-F122 PolarHBondContact NH2-O 3.38Å; R107-F122 WeakPolarHBondContact O-CD2 2.94Å; R107-F122 WeakPolarHBondContact O-CE2 3.08Å; C108-F122 HydrophobicContact CB-CD2 3.77Å; C108-F122 HydrophobicContact CB-CE2 3.73Å; C120-F122 PolarHBondContact O-N 3.12Å; F122-G126 VanDerWaalsContact O-CA 3.25Å; F122-G126 WeakPolarHBondContact O-CA 3.49Å; F122-G126 PolarHBondContact O-N 3.05Å |
| 123 | F | 86.1 | Confident | 86.1 | Confident | 76 Ų | 76 | 90.7 Ų | 90.7 | 33% | 0.333 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60 | -49.4 | -177.2 | -177 | -102.1 | 0 | 0 | 0 | 112 | G116 D117 K118 C120 P121 | G116-F123 WeakPolarHBondContact O-CD2 3.27Å; G116-F123 WeakPolarHBondContact O-CE2 3.5Å; D117-F123 WeakPolarHBondContact O-CD2 3.4Å; K118-F123 HydrophobicContact CG-CE1 4.12Å; K118-F123 HydrophobicContact CG-CZ 4.19Å; C120-F123 HydrophobicContact CB-CB 4.37Å; C120-F123 WeakPolarHBondContact O-CB 3.49Å; C120-F123 PolarHBondContact O-N 3.3Å; P121-F123 VanDerWaalsContact C-N 3.33Å |
| 124 | I | 85.1 | Confident | 85.9 | Confident | 143 Ų | 143 | 93.8 Ų | 93.8 | 73% | 0.733 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -81.3 | -44.6 | 179.5 | -57.2 | 174.8 | 0 | 0 | 0 | 111.1 | G126 | I124-G126 PolarHBondContact O-N 3.06Å |
| 125 | K | 83.5 | Confident | 86 | Confident | 183 Ų | 183 | 90.2 Ų | 90.2 | 80% | 0.796 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -69.9 | -13.2 | -178.9 | -169.5 | 174.3 | 179.3 | 179.2 | 0 | 113.4 | ||
| 126 | G | 79.8 | Confident | 86.2 | Confident | 19 Ų | 19 | 89.2 Ų | 89.2 | 20% | 0.196 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -72.4 | 163.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R107 F122 I124 Q128 | R107-G126 VanDerWaalsContact NH2-CA 3.26Å; F122-G126 VanDerWaalsContact O-CA 3.25Å; F122-G126 WeakPolarHBondContact O-CA 3.49Å; F122-G126 PolarHBondContact O-N 3.05Å; I124-G126 PolarHBondContact O-N 3.06Å; G126-Q128 PolarHBondContact O-N 3.28Å |
| 127 | N | 85 | Confident | 86.5 | Confident | 91 Ų | 91 | 96 Ų | 96 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | trans | -73.3 | 91 | 168 | -170.6 | -16.1 | 0 | 0 | 0 | 110.3 | K129 L130 E131 | N127-K129 PolarHBondContact O-N 3.41Å; N127-K129 WeakPolarHBondContact OD1-CB 3.41Å; N127-K129 PolarHBondContact OD1-N 3.43Å; N127-L130 HydrophobicContact CB-CB 4.21Å; N127-L130 HydrophobicContact CB-CD1 4.16Å; N127-L130 HydrophobicContact CB-CG 4.34Å; N127-L130 VanDerWaalsContact ND2-CD1 3.26Å; N127-L130 WeakPolarHBondContact ND2-CD1 3.5Å; N127-L130 VanDerWaalsContact ND2-CG 3.33Å; N127-L130 WeakPolarHBondContact ND2-CG 3.49Å; N127-L130 PolarHBondContact O-N 3.16Å; N127-L130 PolarHBondContact OD1-N 3.14Å; N127-E131 PolarHBondContact O-N 3.47Å; N127-E131 VanDerWaalsContact O-N 3.1Å | ||
| 128 | Q | 85 | Confident | 86.5 | Confident | 109 Ų | 109 | 99.7 Ų | 99.7 | 51% | 0.509 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.1 | -29.5 | -179.8 | -66.5 | -169.5 | 7.8 | 0 | 0 | 113.1 | G126 Q132 | G126-Q128 PolarHBondContact O-N 3.28Å; Q128-Q132 WeakPolarHBondContact O-CB 3.25Å; Q128-Q132 WeakPolarHBondContact O-CG 3.45Å; Q128-Q132 PolarHBondContact O-N 3.2Å |
| 129 | K | 88.2 | Confident | 86.7 | Confident | 153 Ų | 153 | 95 Ų | 95 | 67% | 0.665 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.2 | -51.7 | 177.7 | -65.6 | -177.7 | 178.4 | 179 | 0 | 110.3 | N127 E131 Q132 F133 | N127-K129 PolarHBondContact O-N 3.41Å; N127-K129 WeakPolarHBondContact OD1-CB 3.41Å; N127-K129 PolarHBondContact OD1-N 3.43Å; K129-E131 VanDerWaalsContact C-N 3.28Å; K129-E131 PolarHBondContact O-N 3.28Å; K129-Q132 PolarHBondContact O-N 3.13Å; K129-F133 HydrophobicContact CB-CE2 4.37Å; K129-F133 WeakPolarHBondContact O-CD2 3.44Å; K129-F133 PolarHBondContact O-N 3.08Å |
| 130 | L | 87 | Confident | 87 | Confident | 113 Ų | 113 | 93.7 Ų | 93.7 | 59% | 0.592 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.6 | -39.5 | 177.1 | -73.9 | 178.2 | 0 | 0 | 0 | 112.1 | N127 F133 R134 | N127-L130 HydrophobicContact CB-CB 4.21Å; N127-L130 HydrophobicContact CB-CD1 4.16Å; N127-L130 HydrophobicContact CB-CG 4.34Å; N127-L130 VanDerWaalsContact ND2-CD1 3.26Å; N127-L130 WeakPolarHBondContact ND2-CD1 3.5Å; N127-L130 VanDerWaalsContact ND2-CG 3.33Å; N127-L130 WeakPolarHBondContact ND2-CG 3.49Å; N127-L130 PolarHBondContact O-N 3.16Å; N127-L130 PolarHBondContact OD1-N 3.14Å; L130-F133 PolarHBondContact O-N 3.26Å; L130-R134 WeakPolarHBondContact O-CB 3.17Å; L130-R134 PolarHBondContact O-N 3Å |
| 131 | E | 86.7 | Confident | 87.2 | Confident | 43 Ų | 43 | 98.1 Ų | 98.1 | 20% | 0.201 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 178.1 | -171.1 | 59 | -158.2 | 0 | 0 | 112.1 | N127 K129 R134 V135 | N127-E131 PolarHBondContact O-N 3.47Å; N127-E131 VanDerWaalsContact O-N 3.1Å; K129-E131 VanDerWaalsContact C-N 3.28Å; K129-E131 PolarHBondContact O-N 3.28Å; E131-R134 WeakPolarHBondContact O-CB 3.4Å; E131-R134 PolarHBondContact O-N 3.41Å; E131-R134 IonicContact OE1-CZ 3.79Å; E131-R134 IonicContact OE1-NE 2.98Å; E131-R134 PolarHBondContact OE1-NE 2.98Å; E131-R134 IonicContact OE1-NH2 2.65Å; E131-R134 PolarHBondContact OE1-NH2 3.21Å; E131-R134 IonicContact OE2-NE 3.91Å; E131-R134 PolarHBondContact OE2-NE 2.97Å; E131-V135 WeakPolarHBondContact O-CG2 3.39Å; E131-V135 PolarHBondContact O-N 3.29Å |
| 132 | Q | 86.7 | Confident | 87.3 | Confident | 118 Ų | 118 | 98.4 Ų | 98.4 | 55% | 0.551 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.7 | -40.2 | 174.2 | -73.8 | 168.4 | 21.4 | 0 | 0 | 112 | Q128 K129 R134 V135 A136 | Q128-Q132 WeakPolarHBondContact O-CB 3.25Å; Q128-Q132 WeakPolarHBondContact O-CG 3.45Å; Q128-Q132 PolarHBondContact O-N 3.2Å; K129-Q132 PolarHBondContact O-N 3.13Å; Q132-R134 VanDerWaalsContact C-N 3.34Å; Q132-V135 PolarHBondContact O-N 3.28Å; Q132-A136 WeakPolarHBondContact O-CB 3.35Å; Q132-A136 PolarHBondContact O-N 3.3Å |
| 133 | F | 91.3 | Very high | 87.6 | Confident | 132 Ų | 132 | 97.9 Ų | 97.9 | 58% | 0.579 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.8 | -44 | 173.5 | -75 | -67.7 | 0 | 0 | 0 | 111.4 | K129 L130 A136 H137 | K129-F133 HydrophobicContact CB-CE2 4.37Å; K129-F133 WeakPolarHBondContact O-CD2 3.44Å; K129-F133 PolarHBondContact O-N 3.08Å; L130-F133 PolarHBondContact O-N 3.26Å; F133-A136 PolarHBondContact O-N 3.43Å; F133-H137 PolarHBondContact O-CD2 3.19Å; F133-H137 PolarHBondContact O-N 3Å |
| 134 | R | 88.7 | Confident | 87.9 | Confident | 75 Ų | 75 | 98.5 Ų | 98.5 | 28% | 0.283 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.4 | -49.8 | 177.7 | -166.1 | -176.9 | 74.5 | 76.6 | 7.7 | 111.6 | L130 E131 Q132 A136 H137 E138 | L130-R134 WeakPolarHBondContact O-CB 3.17Å; L130-R134 PolarHBondContact O-N 3Å; E131-R134 WeakPolarHBondContact O-CB 3.4Å; E131-R134 PolarHBondContact O-N 3.41Å; E131-R134 IonicContact OE1-CZ 3.79Å; E131-R134 IonicContact OE1-NE 2.98Å; E131-R134 PolarHBondContact OE1-NE 2.98Å; E131-R134 IonicContact OE1-NH2 2.65Å; E131-R134 PolarHBondContact OE1-NH2 3.21Å; E131-R134 IonicContact OE2-NE 3.91Å; E131-R134 PolarHBondContact OE2-NE 2.97Å; Q132-R134 VanDerWaalsContact C-N 3.34Å; R134-A136 VanDerWaalsContact C-N 3.29Å; R134-A136 PolarHBondContact O-N 3.25Å; R134-H137 PolarHBondContact O-N 3.27Å; R134-E138 WeakPolarHBondContact CD-OE1 3.14Å; R134-E138 HydrophobicContact CG-CG 4.27Å; R134-E138 WeakPolarHBondContact CG-OE1 3.15Å; R134-E138 IonicContact CZ-OE1 3.83Å; R134-E138 IonicContact CZ-OE2 3.55Å; R134-E138 IonicContact NH1-OE1 3.99Å; R134-E138 PolarHBondContact NH1-OE1 3.13Å; R134-E138 IonicContact NH1-OE2 3.3Å; R134-E138 PolarHBondContact NH1-OE2 3.12Å; R134-E138 WeakPolarHBondContact O-CB 3.14Å; R134-E138 WeakPolarHBondContact O-CG 3.49Å; R134-E138 PolarHBondContact O-N 3.13Å |
| 135 | V | 86.8 | Confident | 88.3 | Confident | 61 Ų | 61 | 96.5 Ų | 96.5 | 37% | 0.37 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 176.5 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | E131 Q132 H137 D139 Y142 | E131-V135 WeakPolarHBondContact O-CG2 3.39Å; E131-V135 PolarHBondContact O-N 3.29Å; Q132-V135 PolarHBondContact O-N 3.28Å; V135-H137 VanDerWaalsContact C-N 3.31Å; V135-H137 PolarHBondContact O-N 2.94Å; V135-D139 WeakPolarHBondContact O-CB 2.95Å; V135-D139 PolarHBondContact O-N 3.11Å; V135-D139 VanDerWaalsContact O-N 3.09Å; V135-Y142 HydrophobicContact CG1-CD2 4.39Å |
| 136 | A | 89.5 | Confident | 88.7 | Confident | 25 Ų | 25 | 92 Ų | 92 | 21% | 0.207 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.1 | -31.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q132 F133 R134 Y142 | Q132-A136 WeakPolarHBondContact O-CB 3.35Å; Q132-A136 PolarHBondContact O-N 3.3Å; F133-A136 PolarHBondContact O-N 3.43Å; R134-A136 VanDerWaalsContact C-N 3.29Å; R134-A136 PolarHBondContact O-N 3.25Å; A136-Y142 HydrophobicContact CB-CD1 3.67Å; A136-Y142 HydrophobicContact CB-CD2 4.24Å; A136-Y142 HydrophobicContact CB-CE1 3.5Å; A136-Y142 HydrophobicContact CB-CE2 4.09Å; A136-Y142 HydrophobicContact CB-CG 4.04Å |
| 137 | H | 89.3 | Confident | 89.4 | Confident | 167 Ų | 167 | 94.4 Ų | 94.4 | 77% | 0.773 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -90.7 | -31.2 | -179.8 | -82.9 | -79.2 | 0 | 0 | 0 | 113.7 | F133 R134 V135 | F133-H137 PolarHBondContact O-CD2 3.19Å; F133-H137 PolarHBondContact O-N 3Å; R134-H137 PolarHBondContact O-N 3.27Å; V135-H137 VanDerWaalsContact C-N 3.31Å; V135-H137 PolarHBondContact O-N 2.94Å |
| 138 | E | 87.8 | Confident | 89.9 | Confident | 123 Ų | 123 | 94.7 Ų | 94.7 | 58% | 0.575 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -89.2 | -21.4 | -178.1 | -69.1 | -178.7 | -157.6 | 0 | 0 | 113.8 | R134 P140 | R134-E138 WeakPolarHBondContact CD-OE1 3.14Å; R134-E138 HydrophobicContact CG-CG 4.27Å; R134-E138 WeakPolarHBondContact CG-OE1 3.15Å; R134-E138 IonicContact CZ-OE1 3.83Å; R134-E138 IonicContact CZ-OE2 3.55Å; R134-E138 IonicContact NH1-OE1 3.99Å; R134-E138 PolarHBondContact NH1-OE1 3.13Å; R134-E138 IonicContact NH1-OE2 3.3Å; R134-E138 PolarHBondContact NH1-OE2 3.12Å; R134-E138 WeakPolarHBondContact O-CB 3.14Å; R134-E138 WeakPolarHBondContact O-CG 3.49Å; R134-E138 PolarHBondContact O-N 3.13Å; E138-P140 VanDerWaalsContact O-CD 3.29Å; E138-P140 WeakPolarHBondContact O-CD 3.39Å |
| 139 | D | 88.4 | Confident | 90.4 | Very high | 62 Ų | 62 | 95.5 Ų | 95.5 | 33% | 0.332 | 47% | 0.466 | S | S | . | . | trans | -96.8 | 107.9 | -179 | -176.7 | 2.7 | 0 | 0 | 0 | 111.7 | V135 M141 Y142 | V135-D139 WeakPolarHBondContact O-CB 2.95Å; V135-D139 PolarHBondContact O-N 3.11Å; V135-D139 VanDerWaalsContact O-N 3.09Å; D139-M141 PolarHBondContact O-N 3.32Å; D139-M141 WeakPolarHBondContact OD1-CA 3.33Å; D139-M141 VanDerWaalsContact OD1-CB 3.3Å; D139-M141 WeakPolarHBondContact OD1-CB 3.42Å; D139-M141 PolarHBondContact OD1-N 3.47Å; D139-Y142 VanDerWaalsContact O-CB 3.31Å; D139-Y142 WeakPolarHBondContact O-CB 3.21Å; D139-Y142 PolarHBondContact O-N 3.03Å | ||
| 140 | P | 90.5 | Very high | 90.8 | Very high | 110 Ų | 110 | 95.3 Ų | 95.3 | 71% | 0.714 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15.3 | 176.1 | -22.5 | 34.9 | 0 | 0 | 0 | 114.1 | E138 | E138-P140 VanDerWaalsContact O-CD 3.29Å; E138-P140 WeakPolarHBondContact O-CD 3.39Å |
| 141 | M | 92.5 | Very high | 91.2 | Very high | 97 Ų | 97 | 95.6 Ų | 95.6 | 48% | 0.478 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -9.6 | 177.7 | -60.4 | -69.2 | 86.8 | 0 | 0 | 113.4 | D139 D143 I144 I145 | D139-M141 PolarHBondContact O-N 3.32Å; D139-M141 WeakPolarHBondContact OD1-CA 3.33Å; D139-M141 VanDerWaalsContact OD1-CB 3.3Å; D139-M141 WeakPolarHBondContact OD1-CB 3.42Å; D139-M141 PolarHBondContact OD1-N 3.47Å; M141-D143 PolarHBondContact O-N 3.4Å; M141-I144 HydrophobicContact CE-CD1 3.59Å; M141-I144 PolarHBondContact O-N 2.86Å; M141-I144 HydrophobicContact SD-CD1 4.19Å; M141-I145 HydrophobicContact CB-CD1 4.23Å; M141-I145 VanDerWaalsContact O-CG1 3.32Å; M141-I145 WeakPolarHBondContact O-CG1 3.45Å; M141-I145 PolarHBondContact O-N 3.46Å |
| 142 | Y | 90.7 | Very high | 91.7 | Very high | 77 Ų | 77 | 100.3 Ų | 100.3 | 30% | 0.302 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.1 | -48.2 | -175.5 | -177.3 | -96.4 | 0 | 0 | 0 | 112.3 | V135 A136 D139 I144 I145 R146 | V135-Y142 HydrophobicContact CG1-CD2 4.39Å; A136-Y142 HydrophobicContact CB-CD1 3.67Å; A136-Y142 HydrophobicContact CB-CD2 4.24Å; A136-Y142 HydrophobicContact CB-CE1 3.5Å; A136-Y142 HydrophobicContact CB-CE2 4.09Å; A136-Y142 HydrophobicContact CB-CG 4.04Å; D139-Y142 VanDerWaalsContact O-CB 3.31Å; D139-Y142 WeakPolarHBondContact O-CB 3.21Å; D139-Y142 PolarHBondContact O-N 3.03Å; Y142-I144 VanDerWaalsContact C-N 3.33Å; Y142-I144 PolarHBondContact O-N 3.16Å; Y142-I145 PolarHBondContact O-N 2.99Å; Y142-R146 VanDerWaalsContact O-CB 3.32Å; Y142-R146 WeakPolarHBondContact O-CB 3.4Å; Y142-R146 PolarHBondContact O-N 3.13Å |
| 143 | D | 90.7 | Very high | 92.2 | Very high | 79 Ų | 79 | 100.6 Ų | 100.6 | 42% | 0.422 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | -179.5 | -71.8 | -35 | 0 | 0 | 0 | 111.9 | M141 I145 R146 D147 | M141-D143 PolarHBondContact O-N 3.4Å; D143-I145 PolarHBondContact O-N 3.39Å; D143-R146 WeakPolarHBondContact O-CB 3.44Å; D143-R146 PolarHBondContact O-N 3.48Å; D143-R146 IonicContact OD1-CZ 3.03Å; D143-R146 IonicContact OD1-NH1 2.86Å; D143-R146 PolarHBondContact OD1-NH1 3.01Å; D143-R146 IonicContact OD1-NH2 2.73Å; D143-R146 PolarHBondContact OD1-NH2 3.11Å; D143-D147 WeakPolarHBondContact O-CB 2.96Å; D143-D147 PolarHBondContact O-N 2.98Å |
| 144 | I | 93.2 | Very high | 92.5 | Very high | 89 Ų | 89 | 98 Ų | 98 | 46% | 0.456 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 178 | -59.3 | 179.9 | 0 | 0 | 0 | 110.8 | M141 Y142 R146 D147 N148 | M141-I144 HydrophobicContact CE-CD1 3.59Å; M141-I144 PolarHBondContact O-N 2.86Å; M141-I144 HydrophobicContact SD-CD1 4.19Å; Y142-I144 VanDerWaalsContact C-N 3.33Å; Y142-I144 PolarHBondContact O-N 3.16Å; I144-R146 VanDerWaalsContact C-N 3.33Å; I144-D147 PolarHBondContact O-N 3.47Å; I144-N148 WeakPolarHBondContact O-CB 3.48Å; I144-N148 PolarHBondContact O-N 2.85Å; I144-N148 PolarHBondContact O-ND2 2.86Å; I144-N148 VanDerWaalsContact O-ND2 3.08Å |
| 145 | I | 92.6 | Very high | 92.8 | Very high | 100 Ų | 100 | 98 Ų | 98 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 177.8 | -66.5 | 165.6 | 0 | 0 | 0 | 109.9 | M141 Y142 D143 N148 K149 | M141-I145 HydrophobicContact CB-CD1 4.23Å; M141-I145 VanDerWaalsContact O-CG1 3.32Å; M141-I145 WeakPolarHBondContact O-CG1 3.45Å; M141-I145 PolarHBondContact O-N 3.46Å; Y142-I145 PolarHBondContact O-N 2.99Å; D143-I145 PolarHBondContact O-N 3.39Å; I145-N148 PolarHBondContact O-N 3.48Å; I145-K149 WeakPolarHBondContact O-CB 3.04Å; I145-K149 PolarHBondContact O-N 3.14Å |
| 146 | R | 92.4 | Very high | 93.3 | Very high | 89 Ų | 89 | 103.4 Ų | 103.4 | 34% | 0.336 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | 177.6 | -172.6 | -177.6 | 70.2 | -145.4 | -9.2 | 111.3 | Y142 D143 I144 K149 R150 | Y142-R146 VanDerWaalsContact O-CB 3.32Å; Y142-R146 WeakPolarHBondContact O-CB 3.4Å; Y142-R146 PolarHBondContact O-N 3.13Å; D143-R146 WeakPolarHBondContact O-CB 3.44Å; D143-R146 PolarHBondContact O-N 3.48Å; D143-R146 IonicContact OD1-CZ 3.03Å; D143-R146 IonicContact OD1-NH1 2.86Å; D143-R146 PolarHBondContact OD1-NH1 3.01Å; D143-R146 IonicContact OD1-NH2 2.73Å; D143-R146 PolarHBondContact OD1-NH2 3.11Å; I144-R146 VanDerWaalsContact C-N 3.33Å; R146-K149 PolarHBondContact O-N 3.32Å; R146-R150 WeakPolarHBondContact O-CG 3.48Å; R146-R150 PolarHBondContact O-N 2.88Å |
| 147 | D | 95 | Very high | 93.5 | Very high | 69 Ų | 69 | 106.1 Ų | 106.1 | 37% | 0.369 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.7 | -42 | 179.5 | -69.2 | -10.3 | 0 | 0 | 0 | 111.2 | D143 I144 K149 R150 H151 | D143-D147 WeakPolarHBondContact O-CB 2.96Å; D143-D147 PolarHBondContact O-N 2.98Å; I144-D147 PolarHBondContact O-N 3.47Å; D147-K149 VanDerWaalsContact C-N 3.31Å; D147-K149 PolarHBondContact O-N 3.05Å; D147-R150 WeakPolarHBondContact O-CB 2.98Å; D147-R150 PolarHBondContact O-N 3.39Å; D147-R150 VanDerWaalsContact O-N 3.16Å; D147-H151 PolarHBondContact O-CD2 3.13Å; D147-H151 PolarHBondContact O-N 3.02Å |
| 148 | N | 95.1 | Very high | 93.8 | Very high | 97 Ų | 97 | 104.4 Ų | 104.4 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.1 | -42.7 | 173.6 | -74.3 | -32.4 | 0 | 0 | 0 | 112 | I144 I145 R150 H151 E152 | I144-N148 WeakPolarHBondContact O-CB 3.48Å; I144-N148 PolarHBondContact O-N 2.85Å; I144-N148 PolarHBondContact O-ND2 2.86Å; I144-N148 VanDerWaalsContact O-ND2 3.08Å; I145-N148 PolarHBondContact O-N 3.48Å; N148-R150 VanDerWaalsContact C-N 3.33Å; N148-R150 PolarHBondContact O-N 3.06Å; N148-H151 PolarHBondContact O-N 2.93Å; N148-E152 WeakPolarHBondContact O-CB 3.49Å; N148-E152 PolarHBondContact O-N 3.19Å |
| 149 | K | 95.5 | Very high | 94.2 | Very high | 127 Ų | 127 | 104.5 Ų | 104.5 | 55% | 0.552 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.8 | -35.2 | 177.3 | -170.9 | 173.9 | -175.4 | 175.5 | 0 | 111.9 | I145 R146 D147 K153 | I145-K149 WeakPolarHBondContact O-CB 3.04Å; I145-K149 PolarHBondContact O-N 3.14Å; R146-K149 PolarHBondContact O-N 3.32Å; D147-K149 VanDerWaalsContact C-N 3.31Å; D147-K149 PolarHBondContact O-N 3.05Å; K149-K153 VanDerWaalsContact O-CG 3.27Å; K149-K153 WeakPolarHBondContact O-CG 3.25Å; K149-K153 PolarHBondContact O-N 3.23Å; K149-K153 VanDerWaalsContact O-N 3.16Å |
| 150 | R | 96 | Very high | 94.5 | Very high | 148 Ų | 148 | 105.9 Ų | 105.9 | 56% | 0.558 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.6 | -51.5 | 172.4 | -71.6 | 178.3 | -175.6 | -156.3 | 2.8 | 110.8 | R146 D147 N148 E152 K153 D154 | R146-R150 WeakPolarHBondContact O-CG 3.48Å; R146-R150 PolarHBondContact O-N 2.88Å; D147-R150 WeakPolarHBondContact O-CB 2.98Å; D147-R150 PolarHBondContact O-N 3.39Å; D147-R150 VanDerWaalsContact O-N 3.16Å; N148-R150 VanDerWaalsContact C-N 3.33Å; N148-R150 PolarHBondContact O-N 3.06Å; R150-E152 VanDerWaalsContact C-N 3.3Å; R150-E152 PolarHBondContact O-N 3.49Å; R150-K153 WeakPolarHBondContact O-CB 3.46Å; R150-K153 PolarHBondContact O-N 3.2Å; R150-K153 VanDerWaalsContact O-N 3.1Å; R150-D154 VanDerWaalsContact O-CG 3.28Å; R150-D154 PolarHBondContact O-N 2.89Å |
| 151 | H | 96.2 | Very high | 94.7 | Very high | 119 Ų | 119 | 106.6 Ų | 106.6 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.3 | -39.2 | 177.4 | -72.6 | -54.8 | 0 | 0 | 0 | 113.3 | D147 N148 D154 V155 | D147-H151 PolarHBondContact O-CD2 3.13Å; D147-H151 PolarHBondContact O-N 3.02Å; N148-H151 PolarHBondContact O-N 2.93Å; H151-D154 PolarHBondContact O-N 2.63Å; H151-V155 VanDerWaalsContact O-CG2 3.28Å; H151-V155 WeakPolarHBondContact O-CG2 3.31Å; H151-V155 PolarHBondContact O-N 3.41Å |
| 152 | E | 97 | Very high | 94.7 | Very high | 142 Ų | 142 | 107.4 Ų | 107.4 | 66% | 0.664 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.8 | -42.5 | 175.8 | -175.5 | 177.3 | -167.9 | 0 | 0 | 111.9 | N148 R150 V155 R156 | N148-E152 WeakPolarHBondContact O-CB 3.49Å; N148-E152 PolarHBondContact O-N 3.19Å; R150-E152 VanDerWaalsContact C-N 3.3Å; R150-E152 PolarHBondContact O-N 3.49Å; E152-V155 PolarHBondContact O-N 3.01Å; E152-R156 WeakPolarHBondContact O-CB 3.45Å; E152-R156 PolarHBondContact O-N 2.92Å |
| 153 | K | 97 | Very high | 94.8 | Very high | 124 Ų | 124 | 108.9 Ų | 108.9 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 173.5 | -73 | 174.1 | 177.5 | -169.3 | 0 | 111.4 | K149 R150 V155 R156 I157 | K149-K153 VanDerWaalsContact O-CG 3.27Å; K149-K153 WeakPolarHBondContact O-CG 3.25Å; K149-K153 PolarHBondContact O-N 3.23Å; K149-K153 VanDerWaalsContact O-N 3.16Å; R150-K153 WeakPolarHBondContact O-CB 3.46Å; R150-K153 PolarHBondContact O-N 3.2Å; R150-K153 VanDerWaalsContact O-N 3.1Å; K153-V155 VanDerWaalsContact C-N 3.34Å; K153-V155 PolarHBondContact O-N 3.38Å; K153-R156 PolarHBondContact O-N 3.05Å; K153-I157 WeakPolarHBondContact O-CB 3.41Å; K153-I157 VanDerWaalsContact O-CG1 3.23Å; K153-I157 WeakPolarHBondContact O-CG1 3.45Å; K153-I157 PolarHBondContact O-N 3.43Å |
| 154 | D | 96.7 | Very high | 94.8 | Very high | 79 Ų | 79 | 110.9 Ų | 110.9 | 42% | 0.422 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 179.9 | -63.7 | -26.9 | 0 | 0 | 0 | 111.6 | R150 H151 I157 Q158 | R150-D154 VanDerWaalsContact O-CG 3.28Å; R150-D154 PolarHBondContact O-N 2.89Å; H151-D154 PolarHBondContact O-N 2.63Å; D154-I157 PolarHBondContact O-N 3.3Å; D154-Q158 WeakPolarHBondContact O-CG 3.29Å; D154-Q158 PolarHBondContact O-N 3.29Å |
| 155 | V | 96.5 | Very high | 94.7 | Very high | 75 Ų | 75 | 112.4 Ų | 112.4 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 174.5 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | H151 E152 K153 I157 Q158 Q159 | H151-V155 VanDerWaalsContact O-CG2 3.28Å; H151-V155 WeakPolarHBondContact O-CG2 3.31Å; H151-V155 PolarHBondContact O-N 3.41Å; E152-V155 PolarHBondContact O-N 3.01Å; K153-V155 VanDerWaalsContact C-N 3.34Å; K153-V155 PolarHBondContact O-N 3.38Å; V155-I157 VanDerWaalsContact C-N 3.35Å; V155-Q158 PolarHBondContact O-N 2.88Å; V155-Q159 WeakPolarHBondContact O-CG 3.37Å; V155-Q159 PolarHBondContact O-N 2.85Å |
| 156 | R | 96.1 | Very high | 94.2 | Very high | 174 Ų | 174 | 112.1 Ų | 112.1 | 66% | 0.657 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.3 | -39.9 | 176.3 | -174.1 | 173.5 | -176.9 | 158.2 | 0.5 | 111.9 | E152 K153 Q159 L160 | E152-R156 WeakPolarHBondContact O-CB 3.45Å; E152-R156 PolarHBondContact O-N 2.92Å; K153-R156 PolarHBondContact O-N 3.05Å; R156-Q159 PolarHBondContact O-N 3.28Å; R156-L160 HydrophobicContact CG-CD1 4.24Å; R156-L160 WeakPolarHBondContact O-CG 3.43Å; R156-L160 PolarHBondContact O-N 3.45Å |
| 157 | I | 94.9 | Very high | 93.4 | Very high | 81 Ų | 81 | 112 Ų | 112 | 42% | 0.415 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 175.3 | -69.2 | 162.8 | 0 | 0 | 0 | 110.2 | K153 D154 V155 Q159 L160 K161 | K153-I157 WeakPolarHBondContact O-CB 3.41Å; K153-I157 VanDerWaalsContact O-CG1 3.23Å; K153-I157 WeakPolarHBondContact O-CG1 3.45Å; K153-I157 PolarHBondContact O-N 3.43Å; D154-I157 PolarHBondContact O-N 3.3Å; V155-I157 VanDerWaalsContact C-N 3.35Å; I157-Q159 VanDerWaalsContact C-N 3.34Å; I157-Q159 PolarHBondContact O-N 3.39Å; I157-L160 PolarHBondContact O-N 3.15Å; I157-K161 HydrophobicContact CG2-CD 4.19Å; I157-K161 HydrophobicContact CG2-CG 4.37Å; I157-K161 WeakPolarHBondContact O-CB 3.35Å; I157-K161 WeakPolarHBondContact O-CG 3.47Å; I157-K161 PolarHBondContact O-N 2.99Å |
| 158 | Q | 95.5 | Very high | 92 | Very high | 132 Ų | 132 | 114.2 Ų | 114.2 | 62% | 0.617 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.8 | -41.3 | 175.5 | -74.3 | 172.9 | 12.3 | 0 | 0 | 112.3 | D154 V155 K161 Q162 | D154-Q158 WeakPolarHBondContact O-CG 3.29Å; D154-Q158 PolarHBondContact O-N 3.29Å; V155-Q158 PolarHBondContact O-N 2.88Å; Q158-K161 PolarHBondContact O-N 2.96Å; Q158-Q162 WeakPolarHBondContact O-CB 3.35Å; Q158-Q162 PolarHBondContact O-N 3.42Å |
| 159 | Q | 94.9 | Very high | 90.2 | Very high | 124 Ų | 124 | 113.4 Ų | 113.4 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.4 | -42.9 | 175.7 | -72.5 | 173.5 | -16 | 0 | 0 | 112.3 | V155 R156 I157 Q162 L163 | V155-Q159 WeakPolarHBondContact O-CG 3.37Å; V155-Q159 PolarHBondContact O-N 2.85Å; R156-Q159 PolarHBondContact O-N 3.28Å; I157-Q159 VanDerWaalsContact C-N 3.34Å; I157-Q159 PolarHBondContact O-N 3.39Å; Q159-Q162 PolarHBondContact O-N 3.46Å; Q159-L163 PolarHBondContact O-N 2.97Å |
| 160 | L | 95.5 | Very high | 88 | Confident | 92 Ų | 92 | 113.2 Ų | 113.2 | 48% | 0.482 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.5 | -41.8 | 177.1 | -73.7 | 167.1 | 0 | 0 | 0 | 111.6 | R156 I157 L163 L164 | R156-L160 HydrophobicContact CG-CD1 4.24Å; R156-L160 WeakPolarHBondContact O-CG 3.43Å; R156-L160 PolarHBondContact O-N 3.45Å; I157-L160 PolarHBondContact O-N 3.15Å; L160-L163 PolarHBondContact O-N 2.91Å; L160-L164 WeakPolarHBondContact O-CB 3.41Å; L160-L164 WeakPolarHBondContact O-CD1 3.36Å; L160-L164 WeakPolarHBondContact O-CG 3.41Å; L160-L164 PolarHBondContact O-N 3.1Å |
| 161 | K | 94 | Very high | 85.7 | Confident | 124 Ų | 124 | 113.8 Ų | 113.8 | 54% | 0.539 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.3 | -46.8 | 174.2 | -75.8 | -177.6 | 174.6 | -168.7 | 0 | 111.6 | I157 Q158 L163 L164 E165 | I157-K161 HydrophobicContact CG2-CD 4.19Å; I157-K161 HydrophobicContact CG2-CG 4.37Å; I157-K161 WeakPolarHBondContact O-CB 3.35Å; I157-K161 WeakPolarHBondContact O-CG 3.47Å; I157-K161 PolarHBondContact O-N 2.99Å; Q158-K161 PolarHBondContact O-N 2.96Å; K161-L163 VanDerWaalsContact C-N 3.34Å; K161-L163 PolarHBondContact O-N 2.85Å; K161-L164 WeakPolarHBondContact O-CB 3.5Å; K161-L164 PolarHBondContact O-N 3.11Å; K161-E165 WeakPolarHBondContact O-CG 3.39Å; K161-E165 PolarHBondContact O-N 3.4Å |
| 162 | Q | 93.5 | Very high | 83.3 | Confident | 114 Ų | 114 | 115.1 Ų | 115.1 | 53% | 0.533 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.2 | -42.1 | 176.8 | -173.2 | 176.3 | 5.7 | 0 | 0 | 112 | Q158 Q159 L164 E165 D166 | Q158-Q162 WeakPolarHBondContact O-CB 3.35Å; Q158-Q162 PolarHBondContact O-N 3.42Å; Q159-Q162 PolarHBondContact O-N 3.46Å; Q162-L164 VanDerWaalsContact C-N 3.33Å; Q162-L164 PolarHBondContact O-N 3.42Å; Q162-E165 PolarHBondContact O-N 3.22Å; Q162-D166 WeakPolarHBondContact O-CB 3.39Å; Q162-D166 VanDerWaalsContact O-CG 3.22Å; Q162-D166 PolarHBondContact O-N 2.96Å |
| 163 | L | 92.4 | Very high | 80.8 | Confident | 108 Ų | 108 | 119.5 Ų | 119.5 | 57% | 0.565 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.4 | -37.2 | 177.8 | -175.7 | 63.8 | 0 | 0 | 0 | 112.6 | Q159 L160 K161 S167 | Q159-L163 PolarHBondContact O-N 2.97Å; L160-L163 PolarHBondContact O-N 2.91Å; K161-L163 VanDerWaalsContact C-N 3.34Å; K161-L163 PolarHBondContact O-N 2.85Å; L163-S167 WeakPolarHBondContact O-CB 3.28Å; L163-S167 PolarHBondContact O-N 3.42Å; L163-S167 PolarHBondContact O-OG 3.02Å |
| 164 | L | 90.6 | Very high | 78.1 | Confident | 121 Ų | 121 | 118.8 Ų | 118.8 | 63% | 0.634 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.9 | -45 | 174.4 | -78.3 | 156.8 | 0 | 0 | 0 | 111.1 | L160 K161 Q162 S167 T168 | L160-L164 WeakPolarHBondContact O-CB 3.41Å; L160-L164 WeakPolarHBondContact O-CD1 3.36Å; L160-L164 WeakPolarHBondContact O-CG 3.41Å; L160-L164 PolarHBondContact O-N 3.1Å; K161-L164 WeakPolarHBondContact O-CB 3.5Å; K161-L164 PolarHBondContact O-N 3.11Å; Q162-L164 VanDerWaalsContact C-N 3.33Å; Q162-L164 PolarHBondContact O-N 3.42Å; L164-S167 PolarHBondContact O-N 2.88Å; L164-T168 PolarHBondContact O-N 2.9Å; L164-T168 PolarHBondContact O-OG1 3.31Å |
| 165 | E | 90.9 | Very high | 75.1 | Confident | 121 Ų | 121 | 120.7 Ų | 120.7 | 57% | 0.565 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.1 | -45.2 | 176.3 | -72.2 | 164.6 | -163.6 | 0 | 0 | 111.5 | K161 Q162 S167 T168 S169 | K161-E165 WeakPolarHBondContact O-CG 3.39Å; K161-E165 PolarHBondContact O-N 3.4Å; Q162-E165 PolarHBondContact O-N 3.22Å; E165-S167 VanDerWaalsContact C-N 3.33Å; E165-S167 PolarHBondContact O-N 3.36Å; E165-T168 PolarHBondContact O-N 2.95Å; E165-T168 PolarHBondContact O-OG1 2.72Å; E165-S169 PolarHBondContact O-N 2.94Å |
| 166 | D | 83.1 | Confident | 72.2 | Confident | 95 Ų | 95 | 122.9 Ų | 122.9 | 51% | 0.508 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -65.7 | -32.7 | 179.1 | -69.7 | -21.4 | 0 | 0 | 0 | 112.1 | Q162 S169 | Q162-D166 WeakPolarHBondContact O-CB 3.39Å; Q162-D166 VanDerWaalsContact O-CG 3.22Å; Q162-D166 PolarHBondContact O-N 2.96Å; D166-S169 PolarHBondContact O-N 2.92Å |
| 167 | S | 74.3 | Confident | 69.2 | Low | 85 Ų | 85 | 120.2 Ų | 120.2 | 59% | 0.594 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -78.7 | -19.2 | 179.8 | -57.2 | 0 | 0 | 0 | 0 | 113.7 | L163 L164 E165 | L163-S167 WeakPolarHBondContact O-CB 3.28Å; L163-S167 PolarHBondContact O-N 3.42Å; L163-S167 PolarHBondContact O-OG 3.02Å; L164-S167 PolarHBondContact O-N 2.88Å; E165-S167 VanDerWaalsContact C-N 3.33Å; E165-S167 PolarHBondContact O-N 3.36Å |
| 168 | T | 66.9 | Low | 66.5 | Low | 117 Ų | 117 | 120.9 Ų | 120.9 | 72% | 0.718 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -92.3 | -8.1 | 173.9 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | L164 E165 | L164-T168 PolarHBondContact O-N 2.9Å; L164-T168 PolarHBondContact O-OG1 3.31Å; E165-T168 PolarHBondContact O-N 2.95Å; E165-T168 PolarHBondContact O-OG1 2.72Å |
| 169 | S | 56.6 | Low | 64.2 | Low | 80 Ų | 80 | 119.9 Ų | 119.9 | 56% | 0.559 | 67% | 0.669 | S | S | * | * | trans | -99.9 | 21 | -174.4 | -168.1 | 0 | 0 | 0 | 0 | 113.7 | E165 D166 E171 | E165-S169 PolarHBondContact O-N 2.94Å; D166-S169 PolarHBondContact O-N 2.92Å; S169-E171 PolarHBondContact O-N 3.12Å | ||
| 170 | D | 49.8 | Very low | 61.8 | Low | 122 Ų | 122 | 122.6 Ų | 122.6 | 65% | 0.652 | 68% | 0.682 | S | S | * | * | trans | -90.2 | 34.4 | 168.7 | -88.5 | -40.8 | 0 | 0 | 0 | 112.3 | ||||
| 171 | E | 46.5 | Very low | 59.6 | Low | 161 Ų | 161 | 120.9 Ų | 120.9 | 75% | 0.752 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -119.1 | 121.7 | 153.8 | -63.6 | -64.9 | 150.3 | 0 | 0 | 106.9 | S169 | S169-E171 PolarHBondContact O-N 3.12Š|
| 172 | D | 47.5 | Very low | 57.9 | Low | 146 Ų | 146 | 123.3 Ų | 123.3 | 78% | 0.781 | 70% | 0.697 | S | S | * | * | trans | 78.3 | 64.7 | 174.1 | -58.2 | -38.4 | 0 | 0 | 0 | 119.6 | S174 | D172-S174 VanDerWaalsContact C-N 3.28Å; D172-S174 PolarHBondContact O-N 3.02Å | ||
| 173 | R | 43.3 | Very low | 56.3 | Low | 235 Ų | 235 | 124.9 Ų | 124.9 | 89% | 0.887 | 70% | 0.704 | S | S | * | * | trans | -73.6 | 82 | 148.2 | -79.3 | -174.3 | 170 | -152.9 | 0.3 | 110.8 | ||||
| 174 | S | 40.6 | Very low | 55.2 | Low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | trans | -92.2 | 119.8 | 154.8 | -79.3 | 0 | 0 | 0 | 0 | 109.8 | D172 | D172-S174 VanDerWaalsContact C-N 3.28Å; D172-S174 PolarHBondContact O-N 3.02Å | ||
| 175 | S | 34.2 | Very low | 54.2 | Low | 119 Ų | 119 | 128.1 Ų | 128.1 | 83% | 0.832 | 71% | 0.71 | S | S | * | * | trans | -52.5 | 127.2 | 176.4 | 46.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 176 | S | 35.6 | Very low | 53.5 | Low | 121 Ų | 121 | 129.5 Ų | 129.5 | 85% | 0.846 | 71% | 0.714 | S | S | * | * | trans | -162.1 | 133.9 | 134.9 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 177 | S | 33.5 | Very low | 53.2 | Low | 118 Ų | 118 | 132.5 Ų | 132.5 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | trans | -70.7 | 143.1 | 173.4 | 165.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 178 | S | 37.1 | Very low | 53.4 | Low | 95 Ų | 95 | 136.2 Ų | 136.2 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | 167.6 | 111.3 | 120.3 | -167.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 179 | S | 48.1 | Very low | 54 | Low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | trans | 63.6 | 39.4 | 131.4 | 76.5 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 180 | E | 43.9 | Very low | 55.2 | Low | 182 Ų | 182 | 141.8 Ų | 141.8 | 85% | 0.85 | 73% | 0.732 | S | S | * | * | trans | -114.2 | 4.5 | 161.6 | -71.3 | -133.6 | 121.6 | 0 | 0 | 116.1 | K182 | E180-K182 PolarHBondContact O-N 3.27Š| ||
| 181 | G | 49.7 | Very low | 56.7 | Low | 55 Ų | 55 | 143.2 Ų | 143.2 | 57% | 0.567 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -76 | -14.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | H185 | G181-H185 PolarHBondContact O-N 3Å |
| 182 | K | 57.3 | Low | 58.4 | Low | 175 Ų | 175 | 141.9 Ų | 141.9 | 76% | 0.761 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -75.9 | -32.2 | -170.7 | -69.1 | -177.5 | 179.6 | 174.4 | 0 | 113.3 | E180 K186 | E180-K182 PolarHBondContact O-N 3.27Å; K182-K186 VanDerWaalsContact O-CG 3.3Å; K182-K186 WeakPolarHBondContact O-CG 3.4Å; K182-K186 PolarHBondContact O-N 2.92Å |
| 183 | E | 61.1 | Low | 60.2 | Low | 147 Ų | 147 | 141.7 Ų | 141.7 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -75.4 | -48.5 | -175.5 | -128.9 | -88.1 | 136.4 | 0 | 0 | 111.2 | H185 K186 K187 | E183-H185 PolarHBondContact O-N 2.95Å; E183-K186 PolarHBondContact O-N 3.18Å; E183-K187 PolarHBondContact O-N 2.95Å |
| 184 | K | 68.2 | Low | 62.2 | Low | 173 Ų | 173 | 137 Ų | 137 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -59.6 | -41.1 | 174.7 | -76.6 | -178.4 | -180 | 172.5 | 0 | 112.5 | K187 K188 | K184-K187 PolarHBondContact O-N 3.19Å; K184-K188 PolarHBondContact O-N 2.96Å |
| 185 | H | 69.8 | Low | 64.4 | Low | 124 Ų | 124 | 138.6 Ų | 138.6 | 57% | 0.574 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -67.9 | -40.1 | 178.8 | -166.1 | 66 | 0 | 0 | 0 | 112.4 | G181 E183 K187 K188 K189 | G181-H185 PolarHBondContact O-N 3Å; E183-H185 PolarHBondContact O-N 2.95Å; H185-K187 PolarHBondContact O-N 3.23Å; H185-K188 PolarHBondContact O-N 2.93Å; H185-K189 WeakPolarHBondContact O-CB 3.45Å; H185-K189 PolarHBondContact O-N 3.3Å |
| 186 | K | 75.6 | Confident | 66.7 | Low | 151 Ų | 151 | 140.6 Ų | 140.6 | 66% | 0.657 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -60.8 | -43.3 | 173.1 | -76.6 | 176.4 | -179.1 | -179 | 0 | 111.8 | K182 E183 K189 K190 | K182-K186 VanDerWaalsContact O-CG 3.3Å; K182-K186 WeakPolarHBondContact O-CG 3.4Å; K182-K186 PolarHBondContact O-N 2.92Å; E183-K186 PolarHBondContact O-N 3.18Å; K186-K189 PolarHBondContact O-N 2.85Å; K186-K190 WeakPolarHBondContact O-CB 3.37Å; K186-K190 PolarHBondContact O-N 3.44Å |
| 187 | K | 77.1 | Confident | 69.1 | Low | 157 Ų | 157 | 143 Ų | 143 | 68% | 0.683 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -64.5 | -41.7 | 178.1 | -162.9 | 170.3 | -175.4 | 172.9 | 0 | 112.1 | E183 K184 H185 K190 K191 | E183-K187 PolarHBondContact O-N 2.95Å; K184-K187 PolarHBondContact O-N 3.19Å; H185-K187 PolarHBondContact O-N 3.23Å; K187-K190 PolarHBondContact O-N 2.87Å; K187-K191 PolarHBondContact O-N 3.38Å; K187-K191 VanDerWaalsContact O-N 3.11Å |
| 188 | K | 78.4 | Confident | 71.6 | Confident | 164 Ų | 164 | 144.6 Ų | 144.6 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -63.1 | -45.9 | 175.5 | -164.9 | 173.2 | -179.2 | 178.5 | 0 | 111.5 | K184 H185 K190 K191 E192 | K184-K188 PolarHBondContact O-N 2.96Å; H185-K188 PolarHBondContact O-N 2.93Å; K188-K190 PolarHBondContact O-N 3.18Å; K188-K191 PolarHBondContact O-N 3.43Å; K188-E192 PolarHBondContact O-N 3.03Å; K188-E192 VanDerWaalsContact O-N 3.08Å |
| 189 | K | 79.1 | Confident | 73.9 | Confident | 142 Ų | 142 | 147.2 Ų | 147.2 | 62% | 0.617 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -63.8 | -36.6 | 178.2 | -157.4 | 170.6 | -174.6 | 173.9 | 0 | 112.5 | H185 K186 K193 | H185-K189 WeakPolarHBondContact O-CB 3.45Å; H185-K189 PolarHBondContact O-N 3.3Å; K186-K189 PolarHBondContact O-N 2.85Å; K189-K193 WeakPolarHBondContact O-CB 3.42Å; K189-K193 PolarHBondContact O-N 3.43Å; K189-K193 VanDerWaalsContact O-N 3.13Å |
| 190 | K | 82.3 | Confident | 75.6 | Confident | 171 Ų | 171 | 146.9 Ų | 146.9 | 74% | 0.743 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.6 | -42 | 174.8 | -165.4 | 174.5 | -178.7 | 179.4 | 0 | 112.2 | K186 K187 K188 H194 | K186-K190 WeakPolarHBondContact O-CB 3.37Å; K186-K190 PolarHBondContact O-N 3.44Å; K187-K190 PolarHBondContact O-N 2.87Å; K188-K190 PolarHBondContact O-N 3.18Å; K190-H194 PolarHBondContact O-N 2.96Å |
| 191 | K | 82.8 | Confident | 77.5 | Confident | 152 Ų | 152 | 146 Ų | 146 | 66% | 0.661 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.8 | -38.4 | 178.3 | -164.5 | 173.2 | -176.1 | 177.1 | 0 | 112.1 | K187 K188 H194 K195 | K187-K191 PolarHBondContact O-N 3.38Å; K187-K191 VanDerWaalsContact O-N 3.11Å; K188-K191 PolarHBondContact O-N 3.43Å; K191-H194 PolarHBondContact O-N 3.03Å; K191-K195 PolarHBondContact O-N 3.31Å; K191-K195 VanDerWaalsContact O-N 3.16Å |
| 192 | E | 80.9 | Confident | 79.1 | Confident | 133 Ų | 133 | 150.8 Ų | 150.8 | 62% | 0.621 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -69.1 | -44 | 177.9 | -150.8 | -157.8 | 152.2 | 0 | 0 | 112.4 | K188 H194 K195 K196 | K188-E192 PolarHBondContact O-N 3.03Å; K188-E192 VanDerWaalsContact O-N 3.08Å; E192-H194 PolarHBondContact O-N 3.07Å; E192-K195 PolarHBondContact O-N 3.06Å; E192-K195 VanDerWaalsContact O-N 3.14Å; E192-K196 PolarHBondContact O-N 3.26Å |
| 193 | K | 86.4 | Confident | 80.3 | Confident | 143 Ų | 143 | 149.1 Ų | 149.1 | 62% | 0.622 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -58 | -37.5 | 175 | -167.1 | 174.5 | -178 | 177.8 | 0 | 111.8 | K189 R197 | K189-K193 WeakPolarHBondContact O-CB 3.42Å; K189-K193 PolarHBondContact O-N 3.43Å; K189-K193 VanDerWaalsContact O-N 3.13Å; K193-R197 PolarHBondContact O-N 3.11Å; K193-R197 VanDerWaalsContact O-N 3.13Å |
| 194 | H | 84.9 | Confident | 81.2 | Confident | 135 Ų | 135 | 148.3 Ų | 148.3 | 63% | 0.625 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.7 | -42.1 | 176 | -167.4 | -95.5 | 0 | 0 | 0 | 112.8 | K190 K191 E192 R197 K198 | K190-H194 PolarHBondContact O-N 2.96Å; K191-H194 PolarHBondContact O-N 3.03Å; E192-H194 PolarHBondContact O-N 3.07Å; H194-R197 PolarHBondContact O-N 3.22Å; H194-K198 PolarHBondContact O-N 2.92Å |
| 195 | K | 85.3 | Confident | 81.6 | Confident | 144 Ų | 144 | 147.2 Ų | 147.2 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -61.7 | -43.5 | 174.6 | -77.9 | -174.2 | 174.8 | -174.3 | 0 | 111.8 | K191 E192 K198 K199 | K191-K195 PolarHBondContact O-N 3.31Å; K191-K195 VanDerWaalsContact O-N 3.16Å; E192-K195 PolarHBondContact O-N 3.06Å; E192-K195 VanDerWaalsContact O-N 3.14Å; K195-K198 PolarHBondContact O-N 3.44Å; K195-K199 PolarHBondContact O-N 3.34Å |
| 196 | K | 83.9 | Confident | 82 | Confident | 160 Ų | 160 | 149.2 Ų | 149.2 | 70% | 0.696 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -61.4 | -45.4 | 177.9 | -161.7 | 172.6 | -177.8 | 176.9 | 0 | 111.4 | E192 K198 K199 E200 | E192-K196 PolarHBondContact O-N 3.26Å; K196-K198 PolarHBondContact O-N 3.39Å; K196-K199 PolarHBondContact O-N 3.16Å; K196-E200 PolarHBondContact O-N 2.86Å |
| 197 | R | 85.7 | Confident | 81.8 | Confident | 173 Ų | 173 | 151.5 Ų | 151.5 | 65% | 0.653 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -60.6 | -39.5 | 174.7 | -80 | -175.6 | 164.4 | -151.2 | -3.9 | 113.5 | K193 H194 E200 K201 | K193-R197 PolarHBondContact O-N 3.11Å; K193-R197 VanDerWaalsContact O-N 3.13Å; H194-R197 PolarHBondContact O-N 3.22Å; R197-E200 PolarHBondContact O-N 3.34Å; R197-K201 PolarHBondContact O-N 3.31Å |
| 198 | K | 86.5 | Confident | 81.6 | Confident | 150 Ų | 150 | 151.4 Ų | 151.4 | 65% | 0.652 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.6 | -40.3 | 177.4 | -165.3 | 173.9 | -177.6 | 176.7 | 0 | 112 | H194 K195 K196 K202 | H194-K198 PolarHBondContact O-N 2.92Å; K195-K198 PolarHBondContact O-N 3.44Å; K196-K198 PolarHBondContact O-N 3.39Å; K198-K202 PolarHBondContact O-N 3.37Å; K198-K202 VanDerWaalsContact O-N 3.12Å |
| 199 | K | 84.4 | Confident | 80.7 | Confident | 150 Ų | 150 | 150.3 Ų | 150.3 | 65% | 0.652 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.6 | -39.1 | 175.7 | -166.7 | 173.3 | -176.8 | 176.2 | 0 | 111.6 | K195 K196 K202 K203 | K195-K199 PolarHBondContact O-N 3.34Å; K196-K199 PolarHBondContact O-N 3.16Å; K199-K202 PolarHBondContact O-N 3.21Å; K199-K203 PolarHBondContact O-N 3.37Å |
| 200 | E | 83.8 | Confident | 79.9 | Confident | 103 Ų | 103 | 151.4 Ų | 151.4 | 48% | 0.481 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -68.9 | -42 | 177.2 | -145.7 | -162.4 | 135.1 | 0 | 0 | 112.5 | K196 R197 K202 K203 K204 | K196-E200 PolarHBondContact O-N 2.86Å; R197-E200 PolarHBondContact O-N 3.34Å; E200-K202 VanDerWaalsContact C-N 3.32Å; E200-K202 PolarHBondContact O-N 3.36Å; E200-K203 PolarHBondContact O-N 2.94Å; E200-K203 VanDerWaalsContact O-N 3.16Å; E200-K204 PolarHBondContact O-N 3.35Å; E200-K204 IonicContact OE1-NZ 3.19Å |
| 201 | K | 85.1 | Confident | 78.6 | Confident | 164 Ų | 164 | 146.7 Ų | 146.7 | 71% | 0.713 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -58.1 | -41.4 | 171.4 | -95.3 | -172.8 | 174.4 | -177.1 | 0 | 112 | R197 K204 K205 | R197-K201 PolarHBondContact O-N 3.31Å; K201-K204 PolarHBondContact O-N 3.03Å; K201-K205 PolarHBondContact O-N 3.38Å |
| 202 | K | 82.9 | Confident | 77.3 | Confident | 155 Ų | 155 | 143.9 Ų | 143.9 | 67% | 0.674 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.7 | -42.4 | 174 | -95.3 | -170.8 | 172.8 | -173.3 | 0 | 112.1 | K198 K199 E200 K205 K206 | K198-K202 PolarHBondContact O-N 3.37Å; K198-K202 VanDerWaalsContact O-N 3.12Å; K199-K202 PolarHBondContact O-N 3.21Å; E200-K202 VanDerWaalsContact C-N 3.32Å; E200-K202 PolarHBondContact O-N 3.36Å; K202-K205 PolarHBondContact O-N 2.97Å; K202-K206 PolarHBondContact O-N 3.33Å; K202-K206 VanDerWaalsContact O-N 3.11Å |
| 203 | K | 81.9 | Confident | 76.1 | Confident | 140 Ų | 140 | 146.5 Ų | 146.5 | 61% | 0.609 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -64.8 | -41.9 | 175.7 | -79.3 | -170.5 | 173.6 | -170.7 | 0 | 112.5 | K199 E200 K206 R207 | K199-K203 PolarHBondContact O-N 3.37Å; E200-K203 PolarHBondContact O-N 2.94Å; E200-K203 VanDerWaalsContact O-N 3.16Å; K203-K206 PolarHBondContact O-N 3.02Å; K203-R207 PolarHBondContact O-N 3.07Å |
| 204 | K | 79.6 | Confident | 74.3 | Confident | 131 Ų | 131 | 143.6 Ų | 143.6 | 57% | 0.57 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.2 | -41.8 | 175.6 | -79.3 | -172.9 | 177.7 | -178.7 | 0 | 112.3 | E200 K201 R207 K208 | E200-K204 PolarHBondContact O-N 3.35Å; E200-K204 IonicContact OE1-NZ 3.19Å; K201-K204 PolarHBondContact O-N 3.03Å; K204-R207 PolarHBondContact O-N 2.99Å; K204-K208 PolarHBondContact O-N 3.35Å |
| 205 | K | 78.1 | Confident | 72.4 | Confident | 150 Ų | 150 | 144.3 Ų | 144.3 | 65% | 0.652 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -60.1 | -45.1 | 173.5 | -77.9 | -167.5 | 174.2 | -166.8 | 0 | 111.9 | K201 K202 R207 K208 H209 | K201-K205 PolarHBondContact O-N 3.38Å; K202-K205 PolarHBondContact O-N 2.97Å; K205-R207 VanDerWaalsContact C-N 3.35Å; K205-R207 PolarHBondContact O-N 3.44Å; K205-K208 PolarHBondContact O-N 2.96Å; K205-H209 PolarHBondContact O-CD2 2.86Å; K205-H209 PolarHBondContact O-N 3.09Å |
| 206 | K | 77.2 | Confident | 70.6 | Confident | 165 Ų | 165 | 146.7 Ų | 146.7 | 72% | 0.717 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -62.2 | -38.1 | 176.2 | -72.5 | -168.7 | 174.2 | -163.4 | 0 | 113.2 | K202 K203 H209 K210 | K202-K206 PolarHBondContact O-N 3.33Å; K202-K206 VanDerWaalsContact O-N 3.11Å; K203-K206 PolarHBondContact O-N 3.02Å; K206-H209 PolarHBondContact O-N 2.9Å; K206-K210 PolarHBondContact O-N 2.96Å; K206-K210 VanDerWaalsContact O-N 3.15Å |
| 207 | R | 72.6 | Confident | 68.5 | Low | 199 Ų | 199 | 142.8 Ų | 142.8 | 75% | 0.751 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66.6 | -41.1 | 175.4 | -77.8 | -174.3 | 168.6 | -172.6 | -4.3 | 112.5 | K203 K204 K205 H209 K210 S211 | K203-R207 PolarHBondContact O-N 3.07Å; K204-R207 PolarHBondContact O-N 2.99Å; K205-R207 VanDerWaalsContact C-N 3.35Å; K205-R207 PolarHBondContact O-N 3.44Å; R207-H209 VanDerWaalsContact C-N 3.32Å; R207-H209 PolarHBondContact O-N 2.75Å; R207-K210 PolarHBondContact O-N 2.96Å; R207-S211 PolarHBondContact O-N 3.41Å; R207-S211 PolarHBondContact O-OG 3.13Å |
| 208 | K | 71.4 | Confident | 66.2 | Low | 155 Ų | 155 | 140.5 Ų | 140.5 | 67% | 0.674 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -60.4 | -39.5 | 175.9 | -73.6 | -167.7 | 174.1 | -161.5 | 0 | 112.6 | K204 K205 K210 S211 S212 | K204-K208 PolarHBondContact O-N 3.35Å; K205-K208 PolarHBondContact O-N 2.96Å; K208-K210 VanDerWaalsContact C-N 3.31Å; K208-S211 PolarHBondContact O-OG 3.03Å; K208-S212 PolarHBondContact O-N 3.18Å; K208-S212 PolarHBondContact O-OG 2.85Å |
| 209 | H | 59.9 | Low | 64 | Low | 141 Ų | 141 | 140.9 Ų | 140.9 | 65% | 0.653 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -71.5 | -23.9 | 174.5 | -70.6 | -66.6 | 0 | 0 | 0 | 113.6 | K205 K206 R207 | K205-H209 PolarHBondContact O-CD2 2.86Å; K205-H209 PolarHBondContact O-N 3.09Å; K206-H209 PolarHBondContact O-N 2.9Å; R207-H209 VanDerWaalsContact C-N 3.32Å; R207-H209 PolarHBondContact O-N 2.75Å |
| 210 | K | 61.5 | Low | 62.3 | Low | 166 Ų | 166 | 139.4 Ų | 139.4 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -83.1 | -33.8 | 176.7 | -165.9 | 167.8 | 173 | 96 | 0 | 112.3 | K206 R207 K208 K213 | K206-K210 PolarHBondContact O-N 2.96Å; K206-K210 VanDerWaalsContact O-N 3.15Å; R207-K210 PolarHBondContact O-N 2.96Å; K208-K210 VanDerWaalsContact C-N 3.31Å; K210-K213 PolarHBondContact O-N 2.87Å |
| 211 | S | 56.2 | Low | 60.6 | Low | 71 Ų | 71 | 147.6 Ų | 147.6 | 50% | 0.497 | 74% | 0.744 | S | S | . | * | H | α-helix | trans | -78.4 | -25 | 176.7 | 64.8 | 0 | 0 | 0 | 0 | 113.9 | R207 K208 K213 S214 | R207-S211 PolarHBondContact O-N 3.41Å; R207-S211 PolarHBondContact O-OG 3.13Å; K208-S211 PolarHBondContact O-OG 3.03Å; S211-K213 PolarHBondContact O-N 2.71Å; S211-S214 PolarHBondContact O-OG 3.33Å |
| 212 | S | 55.7 | Low | 59.4 | Low | 93 Ų | 93 | 146.8 Ų | 146.8 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -3.8 | 172.4 | 34.9 | 0 | 0 | 0 | 0 | 113.2 | K208 | K208-S212 PolarHBondContact O-N 3.18Å; K208-S212 PolarHBondContact O-OG 2.85Å |
| 213 | K | 54.4 | Low | 58.2 | Low | 188 Ų | 188 | 146.4 Ų | 146.4 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 5 | 178.2 | -139.9 | 174.7 | 178.2 | 70.2 | 0 | 113.2 | K210 S211 | K210-K213 PolarHBondContact O-N 2.87Å; S211-K213 PolarHBondContact O-N 2.71Å |
| 214 | S | 48.9 | Very low | 56.8 | Low | 82 Ų | 82 | 146.7 Ų | 146.7 | 57% | 0.573 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -123.1 | 22.1 | -176.7 | 64.3 | 0 | 0 | 0 | 0 | 113.7 | S211 | S211-S214 PolarHBondContact O-OG 3.33Š|
| 215 | N | 45.1 | Very low | 55.5 | Low | 151 Ų | 151 | 147.6 Ų | 147.6 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -111.1 | 18.7 | 173.9 | -97.4 | 21.4 | 0 | 0 | 0 | 112.9 | ||
| 216 | E | 48.5 | Very low | 54.1 | Low | 193 Ų | 193 | 147.5 Ų | 147.5 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -124.2 | 115.4 | 163.6 | -66.8 | -149.5 | 122.9 | 0 | 0 | 107.6 | ||
| 217 | G | 38.2 | Very low | 52.6 | Low | 78 Ų | 78 | 146.3 Ų | 146.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 119.3 | 49.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 218 | S | 37.6 | Very low | 51.1 | Low | 126 Ų | 126 | 142.6 Ų | 142.6 | 88% | 0.881 | 78% | 0.782 | S | S | * | * | trans | -136.7 | 87.2 | 155.3 | -73.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 219 | D | 42 | Very low | 49.6 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -166.7 | 103.4 | 150.9 | -158.2 | -104.2 | 0 | 0 | 0 | 107.8 | ||||
| 220 | S | 48.2 | Very low | 48.7 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | 175.7 | 102.3 | 153.5 | -72.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 221 | E | 48.2 | Very low | 47.5 | Very low | 276 Ų | 276 | 139.5 Ų | 139.5 | 100% | 1.29 | 81% | 0.809 | S | S | * | * | trans | -60.8 | 0 | 167 | -74.6 | -156.2 | 105.5 | 0 | 0 | 112 |
Retrieved 221 of 221 residues in 157.4 ms
(Link to these results)