| 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 | 34 | Very low | 32.6 | Very low | 239 Ų | 239 | 157.1 Ų | 157.1 | 100% | 1.177 | 83% | 0.831 | S | S | * | * | 0 | 125.8 | 0 | -79.6 | 158 | 171.3 | 0 | 0 | 107.8 | |||||
| 2 | K | 34.1 | Very low | 32.9 | Very low | 207 Ų | 207 | 153 Ų | 153 | 90% | 0.9 | 82% | 0.82 | S | S | * | * | trans | -106.8 | 93.3 | -177.6 | -165.4 | 169.9 | 179.4 | 174.6 | 0 | 107.4 | M4 | K2-M4 PolarHBondContact O-N 2.92Š| ||
| 3 | D | 35.2 | Very low | 32.7 | Very low | 147 Ų | 147 | 155.9 Ų | 155.9 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | trans | -65.3 | 119.8 | -179.8 | -100.4 | -64.3 | 0 | 0 | 0 | 110.7 | R5 | D3-R5 VanDerWaalsContact C-N 3.34Å; D3-R5 PolarHBondContact O-N 3.15Å | ||
| 4 | M | 34 | Very low | 32.3 | Very low | 155 Ų | 155 | 152.2 Ų | 152.2 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | trans | -76.2 | 82.4 | 179.3 | -67.6 | -173 | 153.2 | 0 | 0 | 109.7 | K2 K6 | K2-M4 PolarHBondContact O-N 2.92Å; M4-K6 HydrophobicContact CB-CG 4.3Å; M4-K6 PolarHBondContact O-N 2.98Å | ||
| 5 | R | 32.9 | Very low | 32.4 | Very low | 246 Ų | 246 | 151.5 Ų | 151.5 | 93% | 0.928 | 80% | 0.804 | S | S | * | * | trans | -67.8 | 87.6 | 157.7 | -68.6 | -171.4 | -163.4 | 162.8 | 4.4 | 107.8 | D3 G7 | D3-R5 VanDerWaalsContact C-N 3.34Å; D3-R5 PolarHBondContact O-N 3.15Å; R5-G7 PolarHBondContact O-N 2.77Å | ||
| 6 | K | 35.4 | Very low | 32.3 | Very low | 175 Ų | 175 | 153.1 Ų | 153.1 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | trans | -74.3 | 112.3 | 174 | -74.9 | 177.9 | 179 | 173 | 0 | 108.4 | M4 | M4-K6 HydrophobicContact CB-CG 4.3Å; M4-K6 PolarHBondContact O-N 2.98Å | ||
| 7 | G | 29.3 | Very low | 32.6 | Very low | 67 Ų | 67 | 151.4 Ų | 151.4 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | 65.8 | 94.1 | 139 | 0 | 0 | 0 | 0 | 0 | 115.4 | R5 A9 | R5-G7 PolarHBondContact O-N 2.77Å; G7-A9 PolarHBondContact O-N 2.79Å | ||
| 8 | D | 32.5 | Very low | 32.7 | Very low | 169 Ų | 169 | 148.3 Ų | 148.3 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | trans | -48.8 | 91 | 152.1 | -67 | -53.1 | 0 | 0 | 0 | 109.6 | A10 | D8-A10 PolarHBondContact O-N 2.84Š| ||
| 9 | A | 31 | Very low | 32.6 | Very low | 90 Ų | 90 | 145.6 Ų | 145.6 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | trans | -73 | 78.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | G7 L11 | G7-A9 PolarHBondContact O-N 2.79Å; A9-L11 PolarHBondContact O-N 2.77Å | ||
| 10 | A | 28.2 | Very low | 32.8 | Very low | 89 Ų | 89 | 143.7 Ų | 143.7 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | trans | -55.7 | 107.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | D8 P12 | D8-A10 PolarHBondContact O-N 2.84Å; A10-P12 WeakPolarHBondContact O-CD 3.26Å | ||
| 11 | L | 31.7 | Very low | 32.8 | Very low | 144 Ų | 144 | 144 Ų | 144 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | trans | -55.4 | 125.6 | 173.8 | -66.2 | 170.1 | 0 | 0 | 0 | 107.8 | A9 Y13 | A9-L11 PolarHBondContact O-N 2.77Å; L11-Y13 PolarHBondContact O-N 2.87Å; L11-Y13 VanDerWaalsContact O-N 3.1Å | ||
| 12 | P | 36 | Very low | 32.8 | Very low | 108 Ų | 108 | 137 Ų | 137 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -71.7 | -0.9 | -179.5 | 25.3 | -30.9 | 0 | 0 | 0 | 113.6 | A10 | A10-P12 WeakPolarHBondContact O-CD 3.26Š|
| 13 | Y | 31 | Very low | 32.6 | Very low | 191 Ų | 191 | 129.6 Ų | 129.6 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | trans | -117.1 | 93.6 | 179.8 | -59.6 | -73.5 | 0 | 0 | 0 | 109.4 | L11 L15 | L11-Y13 PolarHBondContact O-N 2.87Å; L11-Y13 VanDerWaalsContact O-N 3.1Å; Y13-L15 PolarHBondContact O-N 2.72Å; Y13-L15 VanDerWaalsContact O-N 3.16Å | ||
| 14 | S | 26.9 | Very low | 32.5 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -61.2 | 114.9 | 163.6 | -177.9 | 0 | 0 | 0 | 0 | 107.6 | K16 | S14-K16 PolarHBondContact O-N 2.84Š| ||
| 15 | L | 33.2 | Very low | 32.3 | Very low | 142 Ų | 142 | 123.3 Ų | 123.3 | 74% | 0.743 | 67% | 0.672 | S | S | * | * | trans | -58.3 | 64.9 | 167.8 | -77.7 | 154.5 | 0 | 0 | 0 | 110.6 | Y13 T17 | Y13-L15 PolarHBondContact O-N 2.72Å; Y13-L15 VanDerWaalsContact O-N 3.16Å; L15-T17 PolarHBondContact O-N 2.79Å | ||
| 16 | K | 30.8 | Very low | 32.3 | Very low | 176 Ų | 176 | 118.1 Ų | 118.1 | 77% | 0.765 | 66% | 0.658 | S | S | * | * | trans | -68.6 | 81.4 | 159 | -75.4 | -175.3 | -177.6 | 175.7 | 0 | 106.3 | S14 L18 | S14-K16 PolarHBondContact O-N 2.84Å; K16-L18 PolarHBondContact O-N 3.12Å | ||
| 17 | T | 37.3 | Very low | 32.1 | Very low | 125 Ų | 125 | 114.6 Ų | 114.6 | 77% | 0.767 | 65% | 0.645 | S | S | * | * | trans | 32 | 76.2 | 143.4 | 23.6 | 0 | 0 | 0 | 0 | 111.7 | L15 N19 | L15-T17 PolarHBondContact O-N 2.79Å; T17-N19 VanDerWaalsContact C-N 3.29Å; T17-N19 PolarHBondContact O-N 2.8Å | ||
| 18 | L | 34.6 | Very low | 32.2 | Very low | 96 Ų | 96 | 115.4 Ų | 115.4 | 50% | 0.503 | 64% | 0.64 | S | S | . | * | trans | -54 | 104.2 | 161.7 | -87.1 | 161.4 | 0 | 0 | 0 | 105.8 | K16 L20 | K16-L18 PolarHBondContact O-N 3.12Å; L18-L20 PolarHBondContact O-N 3.26Å | ||
| 19 | N | 32.3 | Very low | 32.3 | Very low | 97 Ų | 97 | 110.8 Ų | 110.8 | 52% | 0.519 | 63% | 0.625 | S | S | . | * | trans | -76.6 | 79.2 | -175 | -149.8 | -16.9 | 0 | 0 | 0 | 107 | T17 E21 N22 | T17-N19 VanDerWaalsContact C-N 3.29Å; T17-N19 PolarHBondContact O-N 2.8Å; N19-E21 PolarHBondContact O-N 2.7Å; N19-E21 VanDerWaalsContact O-N 3.11Å; N19-N22 PolarHBondContact O-N 3Å | ||
| 20 | L | 35.9 | Very low | 32.3 | Very low | 106 Ų | 106 | 110.7 Ų | 110.7 | 56% | 0.555 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -54.3 | -27.9 | -174.9 | -76.4 | 147.4 | 0 | 0 | 0 | 112.2 | L18 N22 L23 V24 | L18-L20 PolarHBondContact O-N 3.26Å; L20-N22 PolarHBondContact O-N 2.82Å; L20-L23 PolarHBondContact O-N 3.1Å; L20-L23 VanDerWaalsContact O-N 3.12Å; L20-V24 PolarHBondContact O-N 2.97Å |
| 21 | E | 32 | Very low | 32.4 | Very low | 151 Ų | 151 | 114.5 Ų | 114.5 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -60.8 | -30.7 | 175.7 | -61.3 | -175.1 | 160.3 | 0 | 0 | 113 | N19 S25 | N19-E21 PolarHBondContact O-N 2.7Å; N19-E21 VanDerWaalsContact O-N 3.11Å; E21-S25 WeakPolarHBondContact O-CB 3.45Å; E21-S25 PolarHBondContact O-N 3.39Å; E21-S25 VanDerWaalsContact O-N 3.17Å; E21-S25 PolarHBondContact O-OG 3.17Å |
| 22 | N | 33.8 | Very low | 32.5 | Very low | 92 Ų | 92 | 111.6 Ų | 111.6 | 49% | 0.492 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -73.9 | -31.1 | 175.9 | -89.6 | -4 | 0 | 0 | 0 | 112.4 | N19 L20 S25 E26 | N19-N22 PolarHBondContact O-N 3Å; L20-N22 PolarHBondContact O-N 2.82Å; N22-S25 PolarHBondContact O-N 3.33Å; N22-E26 WeakPolarHBondContact O-CB 3.26Å; N22-E26 WeakPolarHBondContact O-CG 3.2Å; N22-E26 PolarHBondContact O-N 2.89Å |
| 23 | L | 31.5 | Very low | 32.3 | Very low | 51 Ų | 51 | 111.5 Ų | 111.5 | 27% | 0.267 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.3 | -43 | 177.2 | -91.8 | 96 | 0 | 0 | 0 | 111.6 | L20 S25 Q27 W148 | L20-L23 PolarHBondContact O-N 3.1Å; L20-L23 VanDerWaalsContact O-N 3.12Å; L23-S25 VanDerWaalsContact C-N 3.3Å; L23-S25 PolarHBondContact O-N 2.96Å; L23-Q27 PolarHBondContact O-N 3.44Å; L23-W148 HydrophobicContact CD2-CZ2 4.49Å |
| 24 | V | 32.3 | Very low | 32.3 | Very low | 99 Ų | 99 | 108.1 Ų | 108.1 | 60% | 0.6 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.9 | -37.2 | 177.4 | -175.7 | 0 | 0 | 0 | 0 | 110.8 | L20 S28 | L20-V24 PolarHBondContact O-N 2.97Å; V24-S28 PolarHBondContact O-N 2.82Å; V24-S28 PolarHBondContact O-OG 2.95Å |
| 25 | S | 30.6 | Very low | 32.6 | Very low | 71 Ų | 71 | 109.8 Ų | 109.8 | 50% | 0.497 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -74.5 | -42 | 179.8 | -63.2 | 0 | 0 | 0 | 0 | 113.8 | E21 N22 L23 Q27 S28 A29 | E21-S25 WeakPolarHBondContact O-CB 3.45Å; E21-S25 PolarHBondContact O-N 3.39Å; E21-S25 VanDerWaalsContact O-N 3.17Å; E21-S25 PolarHBondContact O-OG 3.17Å; N22-S25 PolarHBondContact O-N 3.33Å; L23-S25 VanDerWaalsContact C-N 3.3Å; L23-S25 PolarHBondContact O-N 2.96Å; S25-Q27 VanDerWaalsContact C-N 3.34Å; S25-Q27 PolarHBondContact O-N 2.95Å; S25-S28 PolarHBondContact O-N 3.2Å; S25-A29 PolarHBondContact O-N 3.04Å |
| 26 | E | 32.8 | Very low | 32.6 | Very low | 137 Ų | 137 | 109.9 Ų | 109.9 | 64% | 0.64 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.7 | -29.4 | 179.4 | -72.1 | -171.1 | 141.7 | 0 | 0 | 112.4 | N22 S30 | N22-E26 WeakPolarHBondContact O-CB 3.26Å; N22-E26 WeakPolarHBondContact O-CG 3.2Å; N22-E26 PolarHBondContact O-N 2.89Å; E26-S30 PolarHBondContact O-N 3.19Å; E26-S30 PolarHBondContact O-OG 3.38Å; E26-S30 VanDerWaalsContact O-OG 3.04Å |
| 27 | Q | 30.3 | Very low | 32.7 | Very low | 102 Ų | 102 | 110.7 Ų | 110.7 | 48% | 0.477 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -72.1 | -37.4 | 171.6 | -87.1 | -179.1 | -48.1 | 0 | 0 | 112.8 | L23 S25 A29 S30 Q31 | L23-Q27 PolarHBondContact O-N 3.44Å; S25-Q27 VanDerWaalsContact C-N 3.34Å; S25-Q27 PolarHBondContact O-N 2.95Å; Q27-A29 PolarHBondContact O-N 2.92Å; Q27-S30 PolarHBondContact O-N 3.21Å; Q27-S30 VanDerWaalsContact O-N 3.08Å; Q27-Q31 PolarHBondContact O-N 2.96Å |
| 28 | S | 31.7 | Very low | 32.5 | Very low | 84 Ų | 84 | 111 Ų | 111 | 59% | 0.587 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.8 | -33.7 | 175.1 | -63.1 | 0 | 0 | 0 | 0 | 111.8 | V24 S25 | V24-S28 PolarHBondContact O-N 2.82Å; V24-S28 PolarHBondContact O-OG 2.95Å; S25-S28 PolarHBondContact O-N 3.2Å |
| 29 | A | 33.5 | Very low | 32.6 | Very low | 72 Ų | 72 | 110.9 Ų | 110.9 | 60% | 0.595 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.3 | -31 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | S25 Q27 | S25-A29 PolarHBondContact O-N 3.04Å; Q27-A29 PolarHBondContact O-N 2.92Å |
| 30 | S | 31.1 | Very low | 32.6 | Very low | 88 Ų | 88 | 110.8 Ų | 110.8 | 62% | 0.615 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -85 | -15.3 | -174.3 | -60.7 | 0 | 0 | 0 | 0 | 114.5 | E26 Q27 A32 | E26-S30 PolarHBondContact O-N 3.19Å; E26-S30 PolarHBondContact O-OG 3.38Å; E26-S30 VanDerWaalsContact O-OG 3.04Å; Q27-S30 PolarHBondContact O-N 3.21Å; Q27-S30 VanDerWaalsContact O-N 3.08Å; S30-A32 VanDerWaalsContact C-N 3.3Å |
| 31 | Q | 31.3 | Very low | 32.4 | Very low | 168 Ų | 168 | 113.3 Ų | 113.3 | 79% | 0.785 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -75.2 | -15.4 | 172.4 | -81.4 | -167.4 | 9.3 | 0 | 0 | 113.7 | Q27 S33 | Q27-Q31 PolarHBondContact O-N 2.96Å; Q31-S33 VanDerWaalsContact C-N 3.29Å; Q31-S33 PolarHBondContact O-N 3.23Å |
| 32 | A | 33.1 | Very low | 32.3 | Very low | 83 Ų | 83 | 110.4 Ų | 110.4 | 69% | 0.686 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -83.1 | 11.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S30 | S30-A32 VanDerWaalsContact C-N 3.3Š|
| 33 | S | 33.1 | Very low | 32.2 | Very low | 107 Ų | 107 | 112.4 Ų | 112.4 | 75% | 0.748 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -136.3 | 14.7 | -175.3 | -78.1 | 0 | 0 | 0 | 0 | 117.4 | Q31 | Q31-S33 VanDerWaalsContact C-N 3.29Å; Q31-S33 PolarHBondContact O-N 3.23Å |
| 34 | T | 30.9 | Very low | 32.4 | Very low | 120 Ų | 120 | 115.8 Ų | 115.8 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | trans | -107.7 | 67.6 | 168 | 54.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 35 | T | 32 | Very low | 32.2 | Very low | 138 Ų | 138 | 115.2 Ų | 115.2 | 85% | 0.847 | 72% | 0.718 | S | S | * | * | trans | -73.9 | 124.7 | 158.4 | -62.7 | 0 | 0 | 0 | 0 | 107.6 | E37 | T35-E37 PolarHBondContact O-N 3.19Š| ||
| 36 | I | 34.6 | Very low | 32.1 | Very low | 144 Ų | 144 | 115.7 Ų | 115.7 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | -74.2 | 116.7 | -166.4 | -58.6 | 162.9 | 0 | 0 | 0 | 110 | N38 | I36-N38 HydrophobicContact CG2-CB 3.98Å; I36-N38 PolarHBondContact O-N 3.43Å | ||
| 37 | E | 32.5 | Very low | 31.9 | Very low | 193 Ų | 193 | 115.2 Ų | 115.2 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | trans | -88.7 | 91 | 158.6 | -70.7 | -168.4 | 145.5 | 0 | 0 | 108.3 | T35 A39 | T35-E37 PolarHBondContact O-N 3.19Å; E37-A39 PolarHBondContact O-N 3.02Å | ||
| 38 | N | 32.9 | Very low | 31.9 | Very low | 133 Ų | 133 | 117.7 Ų | 117.7 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | trans | -82.9 | 85 | 174.2 | -160.5 | 36.8 | 0 | 0 | 0 | 108.7 | I36 S40 | I36-N38 HydrophobicContact CG2-CB 3.98Å; I36-N38 PolarHBondContact O-N 3.43Å; N38-S40 PolarHBondContact O-N 3.38Å | ||
| 39 | A | 35.7 | Very low | 32 | Very low | 93 Ų | 93 | 118.5 Ų | 118.5 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -90.1 | 93.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | E37 D41 | E37-A39 PolarHBondContact O-N 3.02Å; A39-D41 PolarHBondContact O-N 2.81Å | ||
| 40 | S | 33 | Very low | 31.9 | Very low | 95 Ų | 95 | 119.9 Ų | 119.9 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | trans | -70 | 105.7 | 173.3 | -55.8 | 0 | 0 | 0 | 0 | 110.7 | N38 | N38-S40 PolarHBondContact O-N 3.38Š| ||
| 41 | D | 31.2 | Very low | 32 | Very low | 158 Ų | 158 | 121 Ų | 121 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -114.5 | 89 | 159.9 | -103.9 | -51.3 | 0 | 0 | 0 | 108.7 | A39 | A39-D41 PolarHBondContact O-N 2.81Š| ||
| 42 | A | 31.1 | Very low | 32.1 | Very low | 90 Ų | 90 | 119 Ų | 119 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | -95.8 | 106.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 43 | V | 30.8 | Very low | 32.5 | Very low | 135 Ų | 135 | 121.2 Ų | 121.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -112.3 | 103.9 | 164.7 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 44 | P | 36.7 | Very low | 32.4 | Very low | 122 Ų | 122 | 121.4 Ų | 121.4 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -93.1 | 138.3 | 175.2 | 34.9 | -28.5 | 0 | 0 | 0 | 110.5 | ||||
| 45 | G | 27.2 | Very low | 32.9 | Very low | 86 Ų | 86 | 122 Ų | 122 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | 155.6 | 99.7 | 164 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 46 | G | 28.9 | Very low | 32.9 | Very low | 81 Ų | 81 | 121 Ų | 121 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 169.7 | 67.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 47 | V | 29.4 | Very low | 32.7 | Very low | 127 Ų | 127 | 119.6 Ų | 119.6 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -88.9 | 148.3 | 174.7 | -71 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 48 | N | 29.3 | Very low | 32.5 | Very low | 154 Ų | 154 | 114.1 Ų | 114.1 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | 81.9 | 106.1 | 155.6 | -56.2 | -30.5 | 0 | 0 | 0 | 119.9 | ||||
| 49 | A | 34.1 | Very low | 32.3 | Very low | 102 Ų | 102 | 112.7 Ų | 112.7 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | -163.6 | 110.8 | 123.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 50 | A | 31.9 | Very low | 32.2 | Very low | 101 Ų | 101 | 111.9 Ų | 111.9 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -74.4 | 128 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 51 | S | 33.6 | Very low | 32 | Very low | 110 Ų | 110 | 115.2 Ų | 115.2 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -159.9 | 99.8 | 157 | -78.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 52 | T | 32.9 | Very low | 32 | Very low | 127 Ų | 127 | 114.9 Ų | 114.9 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | 35.2 | 130.2 | 145.4 | 44.4 | 0 | 0 | 0 | 0 | 121.9 | S54 | T52-S54 PolarHBondContact O-N 3.34Š| ||
| 53 | P | 41 | Very low | 32 | Very low | 129 Ų | 129 | 116.5 Ų | 116.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -78.4 | 119.2 | -178.3 | 31.4 | -32.6 | 0 | 0 | 0 | 112.1 | ||||
| 54 | S | 32 | Very low | 31.9 | Very low | 111 Ų | 111 | 118.7 Ų | 118.7 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -98.3 | 126.2 | 161.9 | -67.9 | 0 | 0 | 0 | 0 | 109.3 | T52 S56 | T52-S54 PolarHBondContact O-N 3.34Å; S54-S56 PolarHBondContact O-N 3Å | ||
| 55 | P | 40.8 | Very low | 31.7 | Very low | 133 Ų | 133 | 121.5 Ų | 121.5 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -78.5 | 106.2 | -179.4 | 30.6 | -30.6 | 0 | 0 | 0 | 109.2 | ||||
| 56 | S | 31.2 | Very low | 31.7 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -105.7 | 105.7 | 172.4 | 176 | 0 | 0 | 0 | 0 | 110 | S54 | S54-S56 PolarHBondContact O-N 3Š| ||
| 57 | S | 31.3 | Very low | 32.1 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -25.4 | 131.4 | 158.8 | -154.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 58 | G | 27.7 | Very low | 32 | Very low | 78 Ų | 78 | 129 Ų | 129 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 64.4 | 84.7 | 141.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 59 | S | 28 | Very low | 32.4 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | -150.1 | 112.5 | 141.8 | -176.2 | 0 | 0 | 0 | 0 | 107.5 | Q61 | S59-Q61 PolarHBondContact O-N 2.77Š| ||
| 60 | G | 33.4 | Very low | 32.7 | Very low | 77 Ų | 77 | 126.1 Ų | 126.1 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -63.1 | 77.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | N62 | G60-N62 VanDerWaalsContact C-N 3.31Å; G60-N62 PolarHBondContact O-N 3.22Å | ||
| 61 | Q | 28.6 | Very low | 33.1 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | -68.7 | 103.4 | 160.6 | -82.1 | -172.7 | 22.4 | 0 | 0 | 105.6 | S59 V63 | S59-Q61 PolarHBondContact O-N 2.77Å; Q61-V63 PolarHBondContact O-N 3.28Å | ||
| 62 | N | 31.4 | Very low | 33.5 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -35 | 93.6 | 147.9 | -90 | -72.2 | 0 | 0 | 0 | 107.7 | G60 K64 | G60-N62 VanDerWaalsContact C-N 3.31Å; G60-N62 PolarHBondContact O-N 3.22Å; N62-K64 PolarHBondContact O-N 3.24Å | ||
| 63 | V | 31.1 | Very low | 34.1 | Very low | 124 Ų | 124 | 128.5 Ų | 128.5 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | -60.2 | 97.5 | 154.4 | -176.8 | 0 | 0 | 0 | 0 | 101.5 | Q61 K65 | Q61-V63 PolarHBondContact O-N 3.28Å; V63-K65 PolarHBondContact O-N 3.33Å | ||
| 64 | K | 30.1 | Very low | 34.3 | Very low | 181 Ų | 181 | 125 Ų | 125 | 79% | 0.787 | 74% | 0.735 | S | S | * | * | trans | -51 | 93.3 | 152.2 | -82.3 | 179.3 | 175 | 177.1 | 0 | 102.4 | N62 D66 | N62-K64 PolarHBondContact O-N 3.24Å; K64-D66 PolarHBondContact O-N 3.35Å | ||
| 65 | K | 31.9 | Very low | 35.2 | Very low | 181 Ų | 181 | 127.4 Ų | 127.4 | 79% | 0.787 | 74% | 0.735 | S | S | * | * | trans | -62.3 | 91.8 | 166 | -158.9 | 176.7 | -172.3 | -179.7 | 0 | 100.3 | V63 K67 | V63-K65 PolarHBondContact O-N 3.33Å; K65-K67 VanDerWaalsContact C-N 3.29Å; K65-K67 PolarHBondContact O-N 3.49Å | ||
| 66 | D | 27.9 | Very low | 35.3 | Very low | 144 Ų | 144 | 126 Ų | 126 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | trans | -43.4 | 112.1 | 166.8 | -89.3 | -57.5 | 0 | 0 | 0 | 103 | K64 S68 | K64-D66 PolarHBondContact O-N 3.35Å; D66-S68 PolarHBondContact O-N 2.84Å | ||
| 67 | K | 36.4 | Very low | 36 | Very low | 205 Ų | 205 | 123.4 Ų | 123.4 | 89% | 0.891 | 69% | 0.694 | S | S | * | * | trans | -67.8 | 80.3 | 174.3 | -78.1 | -179.1 | 176.4 | -179 | 0 | 103.3 | K65 A69 | K65-K67 VanDerWaalsContact C-N 3.29Å; K65-K67 PolarHBondContact O-N 3.49Å; K67-A69 PolarHBondContact O-N 2.86Å; K67-A69 VanDerWaalsContact O-N 3.1Å | ||
| 68 | S | 27.8 | Very low | 36.9 | Very low | 101 Ų | 101 | 119.7 Ų | 119.7 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 123.3 | 164.6 | -170.8 | 0 | 0 | 0 | 0 | 104.2 | D66 | D66-S68 PolarHBondContact O-N 2.84Š|
| 69 | A | 37.1 | Very low | 37.8 | Very low | 77 Ų | 77 | 120.8 Ų | 120.8 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 133.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | K67 E71 | K67-A69 PolarHBondContact O-N 2.86Å; K67-A69 VanDerWaalsContact O-N 3.1Å; A69-E71 PolarHBondContact O-N 2.99Å |
| 70 | P | 40.4 | Very low | 38.8 | Very low | 119 Ų | 119 | 116 Ų | 116 | 77% | 0.773 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 117.6 | -176 | 19.6 | -31.4 | 0 | 0 | 0 | 107.4 | K72 | P70-K72 PolarHBondContact O-N 3.22Š|
| 71 | E | 39.9 | Very low | 39.7 | Very low | 166 Ų | 166 | 112.5 Ų | 112.5 | 78% | 0.776 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 119.5 | 179.6 | -167.5 | 169 | 151.9 | 0 | 0 | 105.8 | A69 P73 | A69-E71 PolarHBondContact O-N 2.99Å; E71-P73 WeakPolarHBondContact O-CD 3.5Å |
| 72 | K | 43.7 | Very low | 40.8 | Very low | 192 Ų | 192 | 107.7 Ų | 107.7 | 84% | 0.835 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -58 | 120.3 | -176.5 | -75.2 | 178.9 | 179.6 | 176.1 | 0 | 105.6 | P70 S74 | P70-K72 PolarHBondContact O-N 3.22Å; K72-S74 PolarHBondContact O-N 3.45Å |
| 73 | P | 44.1 | Very low | 41.5 | Very low | 31 Ų | 31 | 103 Ų | 103 | 20% | 0.201 | 53% | 0.533 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 135.9 | -179.7 | 21.8 | -31 | 0 | 0 | 0 | 108.1 | E71 E77 W148 | E71-P73 WeakPolarHBondContact O-CD 3.5Å; P73-E77 VanDerWaalsContact CA-OE2 3.26Å; P73-E77 WeakPolarHBondContact CA-OE2 3.2Å; P73-E77 HydrophobicContact CB-CB 3.89Å; P73-W148 HydrophobicContact CG-CG 4.2Å |
| 74 | S | 46.1 | Very low | 42.3 | Very low | 54 Ų | 54 | 98.5 Ų | 98.5 | 38% | 0.378 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 153.8 | 172.8 | 63.7 | 0 | 0 | 0 | 0 | 109.8 | K72 I76 E77 Q78 | K72-S74 PolarHBondContact O-N 3.45Å; S74-I76 PolarHBondContact O-N 3.45Å; S74-I76 VanDerWaalsContact O-N 3.08Å; S74-E77 PolarHBondContact N-OE2 3.03Å; S74-E77 WeakPolarHBondContact O-CB 3.46Å; S74-E77 PolarHBondContact O-N 2.86Å; S74-E77 VanDerWaalsContact OG-CG 3.29Å; S74-E77 WeakPolarHBondContact OG-CG 3.32Å; S74-E77 PolarHBondContact OG-N 2.94Å; S74-E77 PolarHBondContact OG-OE2 3.46Å; S74-Q78 PolarHBondContact O-N 2.94Å; S74-Q78 VanDerWaalsContact O-N 3.08Å |
| 75 | Q | 49.6 | Very low | 43.2 | Very low | 163 Ų | 163 | 94.1 Ų | 94.1 | 76% | 0.762 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -52.4 | -35.2 | 178.4 | -176.6 | 175 | -12.3 | 0 | 0 | 112 | Q78 E79 | Q75-Q78 PolarHBondContact O-N 2.99Å; Q75-E79 WeakPolarHBondContact O-CB 3.43Å; Q75-E79 PolarHBondContact O-N 3.19Å |
| 76 | I | 43.5 | Very low | 43.9 | Very low | 103 Ų | 103 | 88.2 Ų | 88.2 | 53% | 0.528 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.3 | -48.4 | 176.1 | -60.1 | 171.4 | 0 | 0 | 0 | 110.4 | S74 Q78 E79 V80 L123 | S74-I76 PolarHBondContact O-N 3.45Å; S74-I76 VanDerWaalsContact O-N 3.08Å; I76-Q78 VanDerWaalsContact C-N 3.28Å; I76-Q78 PolarHBondContact O-N 3.19Å; I76-E79 PolarHBondContact O-N 2.81Å; I76-E79 VanDerWaalsContact O-N 3.12Å; I76-V80 HydrophobicContact CG2-CG2 4.44Å; I76-V80 WeakPolarHBondContact O-CG2 3.11Å; I76-V80 PolarHBondContact O-N 2.9Å; I76-L123 HydrophobicContact CG2-CD1 3.99Å |
| 77 | E | 46.7 | Very low | 44.5 | Very low | 62 Ų | 62 | 84.4 Ų | 84.4 | 29% | 0.29 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.3 | -36.7 | 178.7 | -72.9 | 166.3 | 138.7 | 0 | 0 | 112.2 | P73 S74 V80 A81 L145 | P73-E77 VanDerWaalsContact CA-OE2 3.26Å; P73-E77 WeakPolarHBondContact CA-OE2 3.2Å; P73-E77 HydrophobicContact CB-CB 3.89Å; S74-E77 PolarHBondContact N-OE2 3.03Å; S74-E77 WeakPolarHBondContact O-CB 3.46Å; S74-E77 PolarHBondContact O-N 2.86Å; S74-E77 VanDerWaalsContact OG-CG 3.29Å; S74-E77 WeakPolarHBondContact OG-CG 3.32Å; S74-E77 PolarHBondContact OG-N 2.94Å; S74-E77 PolarHBondContact OG-OE2 3.46Å; E77-V80 PolarHBondContact O-N 2.94Å; E77-A81 WeakPolarHBondContact O-CB 3.43Å; E77-A81 PolarHBondContact O-N 2.74Å; E77-L145 WeakPolarHBondContact O-CD1 3.33Å |
| 78 | Q | 50.5 | Low | 44.8 | Very low | 37 Ų | 37 | 79.7 Ų | 79.7 | 17% | 0.173 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -67.5 | -38.6 | 175.5 | -170.2 | 173.5 | -4.8 | 0 | 0 | 111.8 | S74 Q75 I76 A81 T82 W148 | S74-Q78 PolarHBondContact O-N 2.94Å; S74-Q78 VanDerWaalsContact O-N 3.08Å; Q75-Q78 PolarHBondContact O-N 2.99Å; I76-Q78 VanDerWaalsContact C-N 3.28Å; I76-Q78 PolarHBondContact O-N 3.19Å; Q78-A81 WeakPolarHBondContact O-CB 3.37Å; Q78-A81 PolarHBondContact O-N 3.49Å; Q78-T82 WeakPolarHBondContact O-CB 3.23Å; Q78-T82 PolarHBondContact O-N 3.07Å; Q78-T82 PolarHBondContact O-OG1 3.49Å; Q78-W148 HydrophobicContact CG-CH2 3.95Å; Q78-W148 HydrophobicContact CG-CZ2 4.02Å |
| 79 | E | 46.2 | Very low | 45.5 | Very low | 101 Ų | 101 | 79.4 Ų | 79.4 | 47% | 0.472 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.2 | -41.2 | 174.9 | -163.9 | 169.7 | 178.2 | 0 | 0 | 111.5 | Q75 I76 A81 T82 Q83 | Q75-E79 WeakPolarHBondContact O-CB 3.43Å; Q75-E79 PolarHBondContact O-N 3.19Å; I76-E79 PolarHBondContact O-N 2.81Å; I76-E79 VanDerWaalsContact O-N 3.12Å; E79-A81 VanDerWaalsContact C-N 3.34Å; E79-A81 PolarHBondContact O-N 3.16Å; E79-T82 PolarHBondContact O-N 3.28Å; E79-Q83 WeakPolarHBondContact O-CB 3.47Å; E79-Q83 WeakPolarHBondContact O-CG 3.24Å; E79-Q83 PolarHBondContact O-N 3.07Å; E79-Q83 PolarHBondContact OE1-NE2 2.97Å |
| 80 | V | 49.3 | Very low | 45.5 | Very low | 3 Ų | 3 | 78.8 Ų | 78.8 | 2% | 0.018 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -55.6 | -50.3 | 169.3 | 178 | 0 | 0 | 0 | 0 | 109.9 | I76 E77 T82 Q83 M84 L123 Y126 I127 L145 | I76-V80 HydrophobicContact CG2-CG2 4.44Å; I76-V80 WeakPolarHBondContact O-CG2 3.11Å; I76-V80 PolarHBondContact O-N 2.9Å; E77-V80 PolarHBondContact O-N 2.94Å; V80-T82 VanDerWaalsContact C-N 3.28Å; V80-T82 PolarHBondContact O-N 2.9Å; V80-Q83 PolarHBondContact O-N 2.73Å; V80-M84 HydrophobicContact CG1-CE 3.86Å; V80-M84 HydrophobicContact CG1-CG 3.97Å; V80-M84 HydrophobicContact CG1-SD 4.01Å; V80-M84 VanDerWaalsContact O-CB 3.29Å; V80-M84 WeakPolarHBondContact O-CB 3.49Å; V80-M84 WeakPolarHBondContact O-CG 3.41Å; V80-M84 PolarHBondContact O-N 3.01Å; V80-L123 HydrophobicContact CB-CD1 4.14Å; V80-L123 HydrophobicContact CG2-CD1 3.15Å; V80-L123 HydrophobicContact CG2-CG 3.76Å; V80-Y126 HydrophobicContact CB-CD1 4.47Å; V80-Y126 HydrophobicContact CG1-CD1 3.74Å; V80-Y126 HydrophobicContact CG1-CE1 3.87Å; V80-Y126 HydrophobicContact CG2-CD1 3.88Å; V80-Y126 HydrophobicContact CG2-CE1 4.29Å; V80-I127 HydrophobicContact CG1-CG1 4.34Å; V80-L145 HydrophobicContact CG1-CD2 4.33Å |
| 81 | A | 50.8 | Low | 45.1 | Very low | 3 Ų | 3 | 76.1 Ų | 76.1 | 3% | 0.025 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -56.6 | -47.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | E77 Q78 E79 F85 L145 W148 I149 | E77-A81 WeakPolarHBondContact O-CB 3.43Å; E77-A81 PolarHBondContact O-N 2.74Å; Q78-A81 WeakPolarHBondContact O-CB 3.37Å; Q78-A81 PolarHBondContact O-N 3.49Å; E79-A81 VanDerWaalsContact C-N 3.34Å; E79-A81 PolarHBondContact O-N 3.16Å; A81-F85 VanDerWaalsContact O-CB 3.29Å; A81-F85 WeakPolarHBondContact O-CB 3.09Å; A81-F85 PolarHBondContact O-N 3.01Å; A81-L145 HydrophobicContact CB-CD1 3.4Å; A81-L145 HydrophobicContact CB-CG 4.38Å; A81-W148 HydrophobicContact CB-CE3 3.93Å; A81-W148 HydrophobicContact CB-CH2 4.49Å; A81-W148 HydrophobicContact CB-CZ3 3.52Å; A81-I149 HydrophobicContact CB-CG1 4.5Å |
| 82 | T | 51.6 | Low | 45 | Very low | 62 Ų | 62 | 75.2 Ų | 75.2 | 38% | 0.38 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.9 | -44.7 | -176.9 | -54.3 | 0 | 0 | 0 | 0 | 110.6 | Q78 E79 V80 F85 A86 | Q78-T82 WeakPolarHBondContact O-CB 3.23Å; Q78-T82 PolarHBondContact O-N 3.07Å; Q78-T82 PolarHBondContact O-OG1 3.49Å; E79-T82 PolarHBondContact O-N 3.28Å; V80-T82 VanDerWaalsContact C-N 3.28Å; V80-T82 PolarHBondContact O-N 2.9Å; T82-F85 PolarHBondContact O-N 3.31Å; T82-A86 WeakPolarHBondContact O-CB 3.48Å; T82-A86 PolarHBondContact O-N 2.88Å |
| 83 | Q | 47.1 | Very low | 44.3 | Very low | 54 Ų | 54 | 69.7 Ų | 69.7 | 25% | 0.252 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71.3 | -37.9 | 179 | -70.9 | -166.5 | 46.1 | 0 | 0 | 112.5 | E79 V80 A86 A87 L123 | E79-Q83 WeakPolarHBondContact O-CB 3.47Å; E79-Q83 WeakPolarHBondContact O-CG 3.24Å; E79-Q83 PolarHBondContact O-N 3.07Å; E79-Q83 PolarHBondContact OE1-NE2 2.97Å; V80-Q83 PolarHBondContact O-N 2.73Å; Q83-A86 PolarHBondContact O-N 2.98Å; Q83-A87 VanDerWaalsContact O-CB 3.24Å; Q83-A87 WeakPolarHBondContact O-CB 3.27Å; Q83-A87 PolarHBondContact O-N 3.44Å; Q83-L123 HydrophobicContact CB-CD2 4.37Å; Q83-L123 HydrophobicContact CG-CD2 4.36Å |
| 84 | M | 47.3 | Very low | 43.6 | Very low | 29 Ų | 29 | 77.6 Ų | 77.6 | 14% | 0.143 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 172.7 | -80.8 | -164.7 | 173.5 | 0 | 0 | 111.5 | V80 A87 I88 I127 L130 | V80-M84 HydrophobicContact CG1-CE 3.86Å; V80-M84 HydrophobicContact CG1-CG 3.97Å; V80-M84 HydrophobicContact CG1-SD 4.01Å; V80-M84 VanDerWaalsContact O-CB 3.29Å; V80-M84 WeakPolarHBondContact O-CB 3.49Å; V80-M84 WeakPolarHBondContact O-CG 3.41Å; V80-M84 PolarHBondContact O-N 3.01Å; M84-A87 PolarHBondContact O-N 2.96Å; M84-I88 WeakPolarHBondContact O-CB 3.22Å; M84-I88 WeakPolarHBondContact O-CG1 3.45Å; M84-I88 PolarHBondContact O-N 2.77Å; M84-I127 HydrophobicContact CE-CB 3.87Å; M84-I127 HydrophobicContact CE-CG1 3.52Å; M84-I127 HydrophobicContact CE-CG2 4.08Å; M84-I127 HydrophobicContact CG-CG1 4.01Å; M84-L130 HydrophobicContact CE-CB 3.95Å; M84-L130 HydrophobicContact CE-CD1 3.33Å; M84-L130 HydrophobicContact CE-CG 4.24Å; M84-L130 HydrophobicContact SD-CD1 4.2Å |
| 85 | F | 49.1 | Very low | 42.7 | Very low | 89 Ų | 89 | 78 Ų | 78 | 39% | 0.39 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.1 | -50.3 | 175.1 | -163.1 | -89.1 | 0 | 0 | 0 | 109.6 | A81 T82 A87 I88 F89 | A81-F85 VanDerWaalsContact O-CB 3.29Å; A81-F85 WeakPolarHBondContact O-CB 3.09Å; A81-F85 PolarHBondContact O-N 3.01Å; T82-F85 PolarHBondContact O-N 3.31Å; F85-A87 VanDerWaalsContact C-N 3.31Å; F85-A87 PolarHBondContact O-N 3.05Å; F85-I88 PolarHBondContact O-N 3.4Å; F85-F89 AromaticContact CD1-CD2 3.66Å; F85-F89 HydrophobicContact CD1-CD2 3.66Å; F85-F89 AromaticContact CD1-CE2 3.99Å; F85-F89 HydrophobicContact CD1-CE2 3.99Å; F85-F89 HydrophobicContact CD2-CD2 4.17Å; F85-F89 AromaticContact CD2-CE2 3.8Å; F85-F89 HydrophobicContact CD2-CE2 3.8Å; F85-F89 AromaticContact CE1-CD2 3.53Å; F85-F89 HydrophobicContact CE1-CD2 3.53Å; F85-F89 AromaticContact CE1-CE2 3.59Å; F85-F89 HydrophobicContact CE1-CE2 3.59Å; F85-F89 HydrophobicContact CE1-CG 4.39Å; F85-F89 HydrophobicContact CE1-CZ 4.44Å; F85-F89 HydrophobicContact CE2-CD2 4.07Å; F85-F89 AromaticContact CE2-CE2 3.38Å; F85-F89 HydrophobicContact CE2-CE2 3.38Å; F85-F89 HydrophobicContact CE2-CZ 4.21Å; F85-F89 AromaticContact CG-CD2 3.98Å; F85-F89 HydrophobicContact CG-CD2 3.98Å; F85-F89 HydrophobicContact CG-CE2 4.09Å; F85-F89 AromaticContact CZ-CD2 3.75Å; F85-F89 HydrophobicContact CZ-CD2 3.75Å; F85-F89 AromaticContact CZ-CE2 3.26Å; F85-F89 HydrophobicContact CZ-CE2 3.26Å; F85-F89 AromaticContact CZ-CZ 3.92Å; F85-F89 HydrophobicContact CZ-CZ 3.92Å; F85-F89 WeakPolarHBondContact O-CD2 3.08Å; F85-F89 PolarHBondContact O-N 3.27Å |
| 86 | A | 46.2 | Very low | 41.9 | Very low | 57 Ų | 57 | 74.1 Ų | 74.1 | 47% | 0.471 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.4 | -41.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T82 Q83 A90 | T82-A86 WeakPolarHBondContact O-CB 3.48Å; T82-A86 PolarHBondContact O-N 2.88Å; Q83-A86 PolarHBondContact O-N 2.98Å; A86-A90 WeakPolarHBondContact O-CA 3.22Å; A86-A90 WeakPolarHBondContact O-CB 3.42Å; A86-A90 PolarHBondContact O-N 3.47Å |
| 87 | A | 40.7 | Very low | 41.1 | Very low | 64 Ų | 64 | 77.7 Ų | 77.7 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.7 | -42.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q83 M84 F85 F89 G91 | Q83-A87 VanDerWaalsContact O-CB 3.24Å; Q83-A87 WeakPolarHBondContact O-CB 3.27Å; Q83-A87 PolarHBondContact O-N 3.44Å; M84-A87 PolarHBondContact O-N 2.96Å; F85-A87 VanDerWaalsContact C-N 3.31Å; F85-A87 PolarHBondContact O-N 3.05Å; A87-F89 VanDerWaalsContact C-N 3.32Å; A87-F89 PolarHBondContact O-N 2.73Å; A87-G91 PolarHBondContact O-N 3.43Å |
| 88 | I | 42.8 | Very low | 40.1 | Very low | 107 Ų | 107 | 80.6 Ų | 80.6 | 55% | 0.549 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 176.1 | -67.7 | 166 | 0 | 0 | 0 | 109.9 | M84 F85 Q92 | M84-I88 WeakPolarHBondContact O-CB 3.22Å; M84-I88 WeakPolarHBondContact O-CG1 3.45Å; M84-I88 PolarHBondContact O-N 2.77Å; F85-I88 PolarHBondContact O-N 3.4Å; I88-Q92 PolarHBondContact O-N 2.94Å |
| 89 | F | 43 | Very low | 39 | Very low | 95 Ų | 95 | 85.1 Ų | 85.1 | 42% | 0.417 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -81 | -32.5 | -179 | -75.7 | -79.8 | 0 | 0 | 0 | 113.4 | F85 A87 G91 Q92 S93 | F85-F89 AromaticContact CD1-CD2 3.66Å; F85-F89 HydrophobicContact CD1-CD2 3.66Å; F85-F89 AromaticContact CD1-CE2 3.99Å; F85-F89 HydrophobicContact CD1-CE2 3.99Å; F85-F89 HydrophobicContact CD2-CD2 4.17Å; F85-F89 AromaticContact CD2-CE2 3.8Å; F85-F89 HydrophobicContact CD2-CE2 3.8Å; F85-F89 AromaticContact CE1-CD2 3.53Å; F85-F89 HydrophobicContact CE1-CD2 3.53Å; F85-F89 AromaticContact CE1-CE2 3.59Å; F85-F89 HydrophobicContact CE1-CE2 3.59Å; F85-F89 HydrophobicContact CE1-CG 4.39Å; F85-F89 HydrophobicContact CE1-CZ 4.44Å; F85-F89 HydrophobicContact CE2-CD2 4.07Å; F85-F89 AromaticContact CE2-CE2 3.38Å; F85-F89 HydrophobicContact CE2-CE2 3.38Å; F85-F89 HydrophobicContact CE2-CZ 4.21Å; F85-F89 AromaticContact CG-CD2 3.98Å; F85-F89 HydrophobicContact CG-CD2 3.98Å; F85-F89 HydrophobicContact CG-CE2 4.09Å; F85-F89 AromaticContact CZ-CD2 3.75Å; F85-F89 HydrophobicContact CZ-CD2 3.75Å; F85-F89 AromaticContact CZ-CE2 3.26Å; F85-F89 HydrophobicContact CZ-CE2 3.26Å; F85-F89 AromaticContact CZ-CZ 3.92Å; F85-F89 HydrophobicContact CZ-CZ 3.92Å; F85-F89 WeakPolarHBondContact O-CD2 3.08Å; F85-F89 PolarHBondContact O-N 3.27Å; A87-F89 VanDerWaalsContact C-N 3.32Å; A87-F89 PolarHBondContact O-N 2.73Å; F89-G91 VanDerWaalsContact C-N 3.32Å; F89-Q92 PolarHBondContact O-N 3.18Å; F89-S93 WeakPolarHBondContact O-CB 3.01Å; F89-S93 PolarHBondContact O-N 3.1Å; F89-S93 VanDerWaalsContact O-N 3.07Å |
| 90 | A | 37.8 | Very low | 37.9 | Very low | 63 Ų | 63 | 85.7 Ų | 85.7 | 52% | 0.521 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A86 Q92 S93 | A86-A90 WeakPolarHBondContact O-CA 3.22Å; A86-A90 WeakPolarHBondContact O-CB 3.42Å; A86-A90 PolarHBondContact O-N 3.47Å; A90-Q92 VanDerWaalsContact C-N 3.25Å; A90-Q92 PolarHBondContact O-N 3.36Å; A90-S93 PolarHBondContact O-N 3.37Å; A90-S93 VanDerWaalsContact O-N 3.16Å |
| 91 | G | 32.3 | Very low | 36.9 | Very low | 64 Ų | 64 | 89.9 Ų | 89.9 | 66% | 0.66 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.9 | -26.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A87 F89 | A87-G91 PolarHBondContact O-N 3.43Å; F89-G91 VanDerWaalsContact C-N 3.32Å |
| 92 | Q | 37.3 | Very low | 36 | Very low | 147 Ų | 147 | 95.5 Ų | 95.5 | 69% | 0.687 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -91.2 | -9.8 | 174.2 | -69.1 | -168.3 | -7.1 | 0 | 0 | 113.8 | I88 F89 A90 Q94 | I88-Q92 PolarHBondContact O-N 2.94Å; F89-Q92 PolarHBondContact O-N 3.18Å; A90-Q92 VanDerWaalsContact C-N 3.25Å; A90-Q92 PolarHBondContact O-N 3.36Å; Q92-Q94 PolarHBondContact O-N 3.32Å |
| 93 | S | 27.7 | Very low | 34.8 | Very low | 76 Ų | 76 | 101.2 Ų | 101.2 | 53% | 0.531 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -84.2 | -4.7 | -173.9 | -165.7 | 0 | 0 | 0 | 0 | 114.8 | F89 A90 G95 A96 | F89-S93 WeakPolarHBondContact O-CB 3.01Å; F89-S93 PolarHBondContact O-N 3.1Å; F89-S93 VanDerWaalsContact O-N 3.07Å; A90-S93 PolarHBondContact O-N 3.37Å; A90-S93 VanDerWaalsContact O-N 3.16Å; S93-G95 PolarHBondContact O-N 3.35Å; S93-G95 VanDerWaalsContact O-N 3.07Å; S93-A96 PolarHBondContact O-N 2.78Å |
| 94 | Q | 29.6 | Very low | 33.7 | Very low | 197 Ų | 197 | 101.9 Ų | 101.9 | 92% | 0.921 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -72 | 4.7 | 172.5 | -75 | -167.1 | -13.1 | 0 | 0 | 114.4 | Q92 | Q92-Q94 PolarHBondContact O-N 3.32Š|
| 95 | G | 28.3 | Very low | 32.9 | Very low | 61 Ų | 61 | 106.4 Ų | 106.4 | 63% | 0.629 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -110.8 | -0.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | S93 Q97 | S93-G95 PolarHBondContact O-N 3.35Å; S93-G95 VanDerWaalsContact O-N 3.07Å; G95-Q97 VanDerWaalsContact C-N 3.31Å; G95-Q97 PolarHBondContact O-N 2.93Å |
| 96 | A | 31.5 | Very low | 31.8 | Very low | 83 Ų | 83 | 108.6 Ų | 108.6 | 69% | 0.686 | 69% | 0.693 | S | S | * | * | trans | -77.5 | 79.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | S93 S98 | S93-A96 PolarHBondContact O-N 2.78Å; A96-S98 PolarHBondContact O-N 3.46Å | ||
| 97 | Q | 27.5 | Very low | 30.9 | Very low | 177 Ų | 177 | 113.2 Ų | 113.2 | 83% | 0.827 | 71% | 0.71 | S | S | * | * | trans | -66.7 | 121.1 | 172 | -70.2 | -168.4 | -15.9 | 0 | 0 | 110 | G95 V99 | G95-Q97 VanDerWaalsContact C-N 3.31Å; G95-Q97 PolarHBondContact O-N 2.93Å; Q97-V99 PolarHBondContact O-N 2.76Å | ||
| 98 | S | 25.5 | Very low | 30.2 | Very low | 124 Ų | 124 | 114.2 Ų | 114.2 | 87% | 0.867 | 72% | 0.717 | S | S | * | * | trans | -39.4 | 104.7 | 173.7 | -62.7 | 0 | 0 | 0 | 0 | 112.8 | A96 S100 | A96-S98 PolarHBondContact O-N 3.46Å; S98-S100 PolarHBondContact O-N 3.35Å | ||
| 99 | V | 28.3 | Very low | 29.6 | Very low | 131 Ų | 131 | 114.9 Ų | 114.9 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | -86.1 | 98.8 | 164.1 | -163.5 | 0 | 0 | 0 | 0 | 106.6 | Q97 S101 | Q97-V99 PolarHBondContact O-N 2.76Å; V99-S101 PolarHBondContact O-N 2.68Å; V99-S101 VanDerWaalsContact O-N 3.1Å | ||
| 100 | S | 23 | Very low | 28.8 | Very low | 114 Ų | 114 | 114.8 Ų | 114.8 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | -53 | 113.9 | 168.5 | -167.6 | 0 | 0 | 0 | 0 | 108.6 | S98 | S98-S100 PolarHBondContact O-N 3.35Š| ||
| 101 | S | 26.9 | Very low | 28.2 | Very low | 91 Ų | 91 | 117.4 Ų | 117.4 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | trans | -128 | 118.5 | 163.5 | -78.6 | 0 | 0 | 0 | 0 | 107.2 | V99 H103 | V99-S101 PolarHBondContact O-N 2.68Å; V99-S101 VanDerWaalsContact O-N 3.1Å; S101-H103 VanDerWaalsContact C-N 3.31Å; S101-H103 PolarHBondContact O-N 3.06Å | ||
| 102 | P | 32.9 | Very low | 28.2 | Very low | 120 Ų | 120 | 119.9 Ų | 119.9 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -78.2 | 87.1 | -179.3 | 31.6 | -30 | 0 | 0 | 0 | 107.7 | ||||
| 103 | H | 25.8 | Very low | 27.6 | Very low | 182 Ų | 182 | 119 Ų | 119 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -127.3 | 113.9 | 163.7 | -95.9 | -86.1 | 0 | 0 | 0 | 108.8 | S101 | S101-H103 VanDerWaalsContact C-N 3.31Å; S101-H103 PolarHBondContact O-N 3.06Å | ||
| 104 | G | 24.5 | Very low | 27.8 | Very low | 69 Ų | 69 | 120.2 Ų | 120.2 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -58.9 | 148.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 105 | S | 29.8 | Very low | 27.7 | Very low | 123 Ų | 123 | 113.6 Ų | 113.6 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | 39.2 | 93.9 | 148.4 | -55.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 106 | T | 27 | Very low | 27.8 | Very low | 136 Ų | 136 | 118.7 Ų | 118.7 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -148.2 | 125.1 | 131.1 | -60.1 | 0 | 0 | 0 | 0 | 106.5 | A108 | T106-A108 PolarHBondContact O-N 2.55Š| ||
| 107 | D | 26.4 | Very low | 28 | Very low | 154 Ų | 154 | 117.4 Ų | 117.4 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -11.7 | 106.6 | 171.5 | -98 | -70.3 | 0 | 0 | 0 | 113.8 | P109 | D107-P109 WeakPolarHBondContact O-CD 3.44Å; D107-P109 VanDerWaalsContact O-N 3.16Å | ||
| 108 | A | 26 | Very low | 28.4 | Very low | 84 Ų | 84 | 116.8 Ų | 116.8 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | trans | -65 | 111.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | T106 A110 | T106-A108 PolarHBondContact O-N 2.55Å; A108-A110 PolarHBondContact O-N 3.25Å; A108-A110 VanDerWaalsContact O-N 3.17Å | ||
| 109 | P | 31.5 | Very low | 29 | Very low | 121 Ų | 121 | 114.1 Ų | 114.1 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | trans | -59.7 | 127.1 | 172.6 | 25.8 | -31.3 | 0 | 0 | 0 | 106.8 | D107 T111 | D107-P109 WeakPolarHBondContact O-CD 3.44Å; D107-P109 VanDerWaalsContact O-N 3.16Å; P109-T111 PolarHBondContact O-N 2.91Å | ||
| 110 | A | 26.3 | Very low | 29.6 | Very low | 94 Ų | 94 | 112.3 Ų | 112.3 | 78% | 0.777 | 74% | 0.735 | S | S | * | * | trans | -36.6 | 113.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | A108 | A108-A110 PolarHBondContact O-N 3.25Å; A108-A110 VanDerWaalsContact O-N 3.17Å | ||
| 111 | T | 25.2 | Very low | 30.8 | Very low | 117 Ų | 117 | 111.8 Ų | 111.8 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | trans | -39.4 | 118.5 | 164.5 | -44.9 | 0 | 0 | 0 | 0 | 106.8 | P109 T113 | P109-T111 PolarHBondContact O-N 2.91Å; T111-T113 VanDerWaalsContact C-N 3.3Å; T111-T113 PolarHBondContact O-N 3.3Å | ||
| 112 | P | 31.4 | Very low | 31.5 | Very low | 117 Ų | 117 | 110.7 Ų | 110.7 | 76% | 0.76 | 72% | 0.721 | S | S | * | * | trans | -58.2 | 107.6 | 174.4 | 22.3 | -30 | 0 | 0 | 0 | 105 | A114 | P112-A114 PolarHBondContact O-N 3.17Š| ||
| 113 | T | 24.9 | Very low | 32.1 | Very low | 129 Ų | 129 | 105.3 Ų | 105.3 | 79% | 0.791 | 69% | 0.686 | S | S | * | * | trans | -46.8 | 114.4 | 168.2 | -51.8 | 0 | 0 | 0 | 0 | 103.4 | T111 G115 | T111-T113 VanDerWaalsContact C-N 3.3Å; T111-T113 PolarHBondContact O-N 3.3Å; T113-G115 PolarHBondContact O-N 3.08Å | ||
| 114 | A | 32.6 | Very low | 33.2 | Very low | 101 Ų | 101 | 99.7 Ų | 99.7 | 84% | 0.835 | 66% | 0.66 | S | S | * | * | trans | -62.6 | 76.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 104.7 | P112 N116 | P112-A114 PolarHBondContact O-N 3.17Å; A114-N116 PolarHBondContact O-N 3.15Å | ||
| 115 | G | 25.8 | Very low | 34.4 | Very low | 57 Ų | 57 | 103.4 Ų | 103.4 | 59% | 0.588 | 66% | 0.659 | S | S | * | * | trans | -57.7 | 119.2 | 176 | 0 | 0 | 0 | 0 | 0 | 102.6 | T113 G117 | T113-G115 PolarHBondContact O-N 3.08Å; G115-G117 PolarHBondContact O-N 3.1Å | ||
| 116 | N | 31.6 | Very low | 35.2 | Very low | 168 Ų | 168 | 100.7 Ų | 100.7 | 90% | 0.898 | 63% | 0.63 | S | S | * | * | trans | -64.4 | 48.8 | 166.2 | -150 | 48.9 | 0 | 0 | 0 | 108.4 | A114 D118 | A114-N116 PolarHBondContact O-N 3.15Å; N116-D118 PolarHBondContact O-N 3.04Å | ||
| 117 | G | 34.3 | Very low | 36.4 | Very low | 56 Ų | 56 | 95.4 Ų | 95.4 | 58% | 0.577 | 60% | 0.596 | S | S | * | * | trans | -75.8 | 109.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 104.9 | G115 I119 | G115-G117 PolarHBondContact O-N 3.1Å; G117-I119 PolarHBondContact O-N 3.31Å | ||
| 118 | D | 36.9 | Very low | 37.6 | Very low | 164 Ų | 164 | 91.4 Ų | 91.4 | 88% | 0.877 | 58% | 0.575 | S | S | * | * | trans | -37 | 107.4 | 166.6 | -79.2 | -66.5 | 0 | 0 | 0 | 109.1 | N116 D120 | N116-D118 PolarHBondContact O-N 3.04Å; D118-D120 PolarHBondContact O-N 2.78Å | ||
| 119 | I | 38.7 | Very low | 38.8 | Very low | 68 Ų | 68 | 94.7 Ų | 94.7 | 35% | 0.349 | 57% | 0.57 | S | S | . | * | trans | -59.5 | 127.3 | 172 | -63.3 | 170.6 | 0 | 0 | 0 | 105.3 | G117 P121 L123 Q124 | G117-I119 PolarHBondContact O-N 3.31Å; I119-P121 VanDerWaalsContact O-N 3.16Å; I119-L123 HydrophobicContact CG2-CB 4Å; I119-L123 HydrophobicContact CG2-CD2 4Å; I119-Q124 VanDerWaalsContact CD1-OE1 3.32Å; I119-Q124 HydrophobicContact CG2-CB 3.9Å | ||
| 120 | D | 40.7 | Very low | 39.6 | Very low | 93 Ų | 93 | 89.5 Ų | 89.5 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | trans | -51.1 | 126.9 | 176.6 | -173.8 | -71.8 | 0 | 0 | 0 | 108.5 | D118 S122 L123 Q124 | D118-D120 PolarHBondContact O-N 2.78Å; D120-S122 PolarHBondContact O-N 2.87Å; D120-S122 VanDerWaalsContact OD1-CB 3.27Å; D120-S122 WeakPolarHBondContact OD1-CB 3.29Å; D120-S122 PolarHBondContact OD1-N 2.69Å; D120-S122 PolarHBondContact OD1-OG 2.75Å; D120-L123 HydrophobicContact CB-CB 4.17Å; D120-L123 WeakPolarHBondContact O-CA 3.27Å; D120-L123 VanDerWaalsContact O-CB 3.24Å; D120-L123 WeakPolarHBondContact O-CB 3.36Å; D120-L123 PolarHBondContact O-N 3.31Å; D120-Q124 PolarHBondContact O-N 3.38Å | ||
| 121 | P | 47 | Very low | 40.7 | Very low | 104 Ų | 104 | 89 Ų | 89 | 68% | 0.675 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -54.1 | -31.8 | -174.3 | -27.4 | 33.5 | 0 | 0 | 0 | 113.1 | I119 Q124 E125 | I119-P121 VanDerWaalsContact O-N 3.16Å; P121-Q124 PolarHBondContact O-N 3.44Å; P121-E125 WeakPolarHBondContact O-CB 3.24Å; P121-E125 PolarHBondContact O-N 3.3Å |
| 122 | S | 42.6 | Very low | 42.1 | Very low | 68 Ų | 68 | 91.9 Ų | 91.9 | 48% | 0.476 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.4 | -37.7 | 176.5 | 71.8 | 0 | 0 | 0 | 0 | 112.3 | D120 E125 Y126 | D120-S122 PolarHBondContact O-N 2.87Å; D120-S122 VanDerWaalsContact OD1-CB 3.27Å; D120-S122 WeakPolarHBondContact OD1-CB 3.29Å; D120-S122 PolarHBondContact OD1-N 2.69Å; D120-S122 PolarHBondContact OD1-OG 2.75Å; S122-E125 PolarHBondContact O-N 2.77Å; S122-Y126 WeakPolarHBondContact O-CB 3.34Å; S122-Y126 PolarHBondContact O-N 2.88Å |
| 123 | L | 44.6 | Very low | 42.8 | Very low | 6 Ų | 6 | 93.8 Ų | 93.8 | 3% | 0.031 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -66.8 | -44.6 | 175 | -151.9 | 91.1 | 0 | 0 | 0 | 110.5 | I76 V80 Q83 I119 D120 E125 Y126 I127 | I76-L123 HydrophobicContact CG2-CD1 3.99Å; V80-L123 HydrophobicContact CB-CD1 4.14Å; V80-L123 HydrophobicContact CG2-CD1 3.15Å; V80-L123 HydrophobicContact CG2-CG 3.76Å; Q83-L123 HydrophobicContact CB-CD2 4.37Å; Q83-L123 HydrophobicContact CG-CD2 4.36Å; I119-L123 HydrophobicContact CG2-CB 4Å; I119-L123 HydrophobicContact CG2-CD2 4Å; D120-L123 HydrophobicContact CB-CB 4.17Å; D120-L123 WeakPolarHBondContact O-CA 3.27Å; D120-L123 VanDerWaalsContact O-CB 3.24Å; D120-L123 WeakPolarHBondContact O-CB 3.36Å; D120-L123 PolarHBondContact O-N 3.31Å; L123-E125 VanDerWaalsContact C-N 3.31Å; L123-E125 PolarHBondContact O-N 2.82Å; L123-Y126 PolarHBondContact O-N 3.46Å; L123-I127 HydrophobicContact CD2-CD1 4.19Å; L123-I127 HydrophobicContact CG-CD1 4.29Å; L123-I127 WeakPolarHBondContact O-CB 3.4Å; L123-I127 VanDerWaalsContact O-CG1 3.23Å; L123-I127 WeakPolarHBondContact O-CG1 3.48Å; L123-I127 PolarHBondContact O-N 2.89Å |
| 124 | Q | 48.8 | Very low | 43.8 | Very low | 65 Ų | 65 | 92.2 Ų | 92.2 | 30% | 0.304 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 177.5 | -172.7 | 62.7 | 58.9 | 0 | 0 | 111.3 | I119 D120 P121 N128 | I119-Q124 VanDerWaalsContact CD1-OE1 3.32Å; I119-Q124 HydrophobicContact CG2-CB 3.9Å; D120-Q124 PolarHBondContact O-N 3.38Å; P121-Q124 PolarHBondContact O-N 3.44Å; Q124-N128 PolarHBondContact NE2-OD1 2.92Å; Q124-N128 WeakPolarHBondContact O-CB 3.41Å; Q124-N128 PolarHBondContact O-N 3.33Å; Q124-N128 PolarHBondContact O-ND2 2.9Å |
| 125 | E | 50.9 | Low | 44.3 | Very low | 146 Ų | 146 | 89.1 Ų | 89.1 | 68% | 0.682 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.4 | -42.4 | 174.8 | -169.5 | 175.7 | -179.2 | 0 | 0 | 111.5 | P121 S122 L123 N128 R129 | P121-E125 WeakPolarHBondContact O-CB 3.24Å; P121-E125 PolarHBondContact O-N 3.3Å; S122-E125 PolarHBondContact O-N 2.77Å; L123-E125 VanDerWaalsContact C-N 3.31Å; L123-E125 PolarHBondContact O-N 2.82Å; E125-N128 PolarHBondContact O-N 3.36Å; E125-R129 VanDerWaalsContact O-CB 3.32Å; E125-R129 WeakPolarHBondContact O-CB 3.21Å; E125-R129 PolarHBondContact O-N 2.73Å |
| 126 | Y | 46.3 | Very low | 45.3 | Very low | 66 Ų | 66 | 93 Ų | 93 | 26% | 0.259 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 176.4 | -174 | -102.9 | 0 | 0 | 0 | 112.3 | V80 S122 L123 N128 R129 L130 | V80-Y126 HydrophobicContact CB-CD1 4.47Å; V80-Y126 HydrophobicContact CG1-CD1 3.74Å; V80-Y126 HydrophobicContact CG1-CE1 3.87Å; V80-Y126 HydrophobicContact CG2-CD1 3.88Å; V80-Y126 HydrophobicContact CG2-CE1 4.29Å; S122-Y126 WeakPolarHBondContact O-CB 3.34Å; S122-Y126 PolarHBondContact O-N 2.88Å; L123-Y126 PolarHBondContact O-N 3.46Å; Y126-N128 PolarHBondContact O-N 3.01Å; Y126-R129 WeakPolarHBondContact O-CB 3.46Å; Y126-R129 PolarHBondContact O-N 2.94Å; Y126-L130 HydrophobicContact CD1-CD1 3.81Å; Y126-L130 HydrophobicContact CE1-CD1 3.24Å; Y126-L130 HydrophobicContact CE1-CG 4.21Å; Y126-L130 HydrophobicContact CE2-CD1 4.49Å; Y126-L130 PolarHBondContact O-N 3.37Å |
| 127 | I | 51.2 | Low | 45.8 | Very low | 25 Ų | 25 | 90.4 Ų | 90.4 | 13% | 0.128 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -59.1 | -49 | 173.7 | -67.5 | 162.9 | 0 | 0 | 0 | 110.3 | V80 M84 L123 R129 L130 C131 | V80-I127 HydrophobicContact CG1-CG1 4.34Å; M84-I127 HydrophobicContact CE-CB 3.87Å; M84-I127 HydrophobicContact CE-CG1 3.52Å; M84-I127 HydrophobicContact CE-CG2 4.08Å; M84-I127 HydrophobicContact CG-CG1 4.01Å; L123-I127 HydrophobicContact CD2-CD1 4.19Å; L123-I127 HydrophobicContact CG-CD1 4.29Å; L123-I127 WeakPolarHBondContact O-CB 3.4Å; L123-I127 VanDerWaalsContact O-CG1 3.23Å; L123-I127 WeakPolarHBondContact O-CG1 3.48Å; L123-I127 PolarHBondContact O-N 2.89Å; I127-R129 VanDerWaalsContact C-N 3.26Å; I127-R129 PolarHBondContact O-N 2.88Å; I127-L130 PolarHBondContact O-N 3.08Å; I127-C131 WeakPolarHBondContact O-CB 3.29Å; I127-C131 PolarHBondContact O-N 3.08Å; I127-C131 PolarHBondContact O-SG 3.44Å; I127-C131 VanDerWaalsContact O-SG 3.35Å |
| 128 | N | 52 | Low | 46.1 | Very low | 70 Ų | 70 | 94 Ų | 94 | 37% | 0.374 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.2 | -36.6 | 177.9 | -76.5 | -23.5 | 0 | 0 | 0 | 112 | Q124 E125 Y126 K132 | Q124-N128 PolarHBondContact NE2-OD1 2.92Å; Q124-N128 WeakPolarHBondContact O-CB 3.41Å; Q124-N128 PolarHBondContact O-N 3.33Å; Q124-N128 PolarHBondContact O-ND2 2.9Å; E125-N128 PolarHBondContact O-N 3.36Å; Y126-N128 PolarHBondContact O-N 3.01Å; N128-K132 WeakPolarHBondContact O-CB 3.11Å; N128-K132 VanDerWaalsContact O-CG 3.26Å; N128-K132 WeakPolarHBondContact O-CG 3.32Å; N128-K132 PolarHBondContact O-N 2.81Å |
| 129 | R | 51.3 | Low | 46.3 | Very low | 154 Ų | 154 | 89 Ų | 89 | 58% | 0.581 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.3 | -44.9 | 176.3 | -177.9 | 176.7 | 167.3 | -172.9 | -7.4 | 111.2 | E125 Y126 I127 | E125-R129 VanDerWaalsContact O-CB 3.32Å; E125-R129 WeakPolarHBondContact O-CB 3.21Å; E125-R129 PolarHBondContact O-N 2.73Å; Y126-R129 WeakPolarHBondContact O-CB 3.46Å; Y126-R129 PolarHBondContact O-N 2.94Å; I127-R129 VanDerWaalsContact C-N 3.26Å; I127-R129 PolarHBondContact O-N 2.88Å |
| 130 | L | 47.7 | Very low | 46.4 | Very low | 11 Ų | 11 | 86.9 Ų | 86.9 | 6% | 0.058 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 177.7 | -77.1 | 172.8 | 0 | 0 | 0 | 112 | M84 Y126 I127 L135 E139 | M84-L130 HydrophobicContact CE-CB 3.95Å; M84-L130 HydrophobicContact CE-CD1 3.33Å; M84-L130 HydrophobicContact CE-CG 4.24Å; M84-L130 HydrophobicContact SD-CD1 4.2Å; Y126-L130 HydrophobicContact CD1-CD1 3.81Å; Y126-L130 HydrophobicContact CE1-CD1 3.24Å; Y126-L130 HydrophobicContact CE1-CG 4.21Å; Y126-L130 HydrophobicContact CE2-CD1 4.49Å; Y126-L130 PolarHBondContact O-N 3.37Å; I127-L130 PolarHBondContact O-N 3.08Å; L130-L135 HydrophobicContact CD2-CB 4.26Å; L130-L135 PolarHBondContact O-N 3.43Å; L130-E139 WeakPolarHBondContact CD2-OE2 3.26Å |
| 131 | C | 51.2 | Low | 46.4 | Very low | 85 Ų | 85 | 89.5 Ų | 89.5 | 57% | 0.574 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -71.8 | -35.2 | 178.8 | -66.8 | 0 | 0 | 0 | 0 | 113.7 | I127 K133 | I127-C131 WeakPolarHBondContact O-CB 3.29Å; I127-C131 PolarHBondContact O-N 3.08Å; I127-C131 PolarHBondContact O-SG 3.44Å; I127-C131 VanDerWaalsContact O-SG 3.35Å; C131-K133 VanDerWaalsContact C-N 3.26Å; C131-K133 PolarHBondContact O-N 3.28Å |
| 132 | K | 53 | Low | 46.2 | Very low | 176 Ų | 176 | 93 Ų | 93 | 77% | 0.765 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -15.7 | -171.1 | -91.8 | -178 | 177.2 | 178.4 | 0 | 115.8 | N128 | N128-K132 WeakPolarHBondContact O-CB 3.11Å; N128-K132 VanDerWaalsContact O-CG 3.26Å; N128-K132 WeakPolarHBondContact O-CG 3.32Å; N128-K132 PolarHBondContact O-N 2.81Å |
| 133 | K | 47 | Very low | 46.3 | Very low | 158 Ų | 158 | 90.8 Ų | 90.8 | 69% | 0.687 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.9 | 18 | -170.7 | -75.5 | -171.4 | 173.3 | -178.2 | 0 | 114.1 | C131 L135 | C131-K133 VanDerWaalsContact C-N 3.26Å; C131-K133 PolarHBondContact O-N 3.28Å; K133-L135 HydrophobicContact CB-CB 4.47Å; K133-L135 HydrophobicContact CB-CD1 3.66Å; K133-L135 HydrophobicContact CB-CG 3.68Å; K133-L135 HydrophobicContact CD-CD1 4.04Å; K133-L135 HydrophobicContact CG-CD1 4.35Å; K133-L135 PolarHBondContact O-N 3.48Å |
| 134 | D | 45.6 | Very low | 46.3 | Very low | 95 Ų | 95 | 92.3 Ų | 92.3 | 51% | 0.508 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 31.4 | -167.8 | -76.3 | -51.5 | 0 | 0 | 0 | 111.4 | W136 E137 | D134-W136 PolarHBondContact O-N 3.12Å; D134-W136 VanDerWaalsContact O-N 3.17Å; D134-W136 PolarHBondContact OD1-NE1 3.34Å; D134-E137 PolarHBondContact O-N 3.03Å |
| 135 | L | 42.4 | Very low | 46.1 | Very low | 36 Ų | 36 | 89.7 Ų | 89.7 | 19% | 0.188 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66 | -19.6 | -178 | -88.8 | 159.9 | 0 | 0 | 0 | 110.3 | L130 K133 E137 N138 E139 | L130-L135 HydrophobicContact CD2-CB 4.26Å; L130-L135 PolarHBondContact O-N 3.43Å; K133-L135 HydrophobicContact CB-CB 4.47Å; K133-L135 HydrophobicContact CB-CD1 3.66Å; K133-L135 HydrophobicContact CB-CG 3.68Å; K133-L135 HydrophobicContact CD-CD1 4.04Å; K133-L135 HydrophobicContact CG-CD1 4.35Å; K133-L135 PolarHBondContact O-N 3.48Å; L135-E137 PolarHBondContact O-N 2.61Å; L135-N138 PolarHBondContact O-N 3.09Å; L135-E139 HydrophobicContact CD2-CB 4.43Å; L135-E139 WeakPolarHBondContact O-CA 3.46Å; L135-E139 WeakPolarHBondContact O-CB 3.37Å; L135-E139 PolarHBondContact O-N 3.14Å |
| 136 | W | 47.1 | Very low | 45.8 | Very low | 139 Ų | 139 | 87.5 Ų | 87.5 | 53% | 0.527 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56.4 | -33.1 | 171.5 | 72.6 | -88.7 | 0 | 0 | 0 | 112.4 | D134 S140 | D134-W136 PolarHBondContact O-N 3.12Å; D134-W136 VanDerWaalsContact O-N 3.17Å; D134-W136 PolarHBondContact OD1-NE1 3.34Å; W136-S140 WeakPolarHBondContact O-CB 3.29Å |
| 137 | E | 42.1 | Very low | 45.7 | Very low | 114 Ų | 114 | 88.4 Ų | 88.4 | 53% | 0.533 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -82.9 | -42.2 | 175.4 | -63 | -168.7 | 149.2 | 0 | 0 | 112.3 | D134 L135 S140 | D134-E137 PolarHBondContact O-N 3.03Å; L135-E137 PolarHBondContact O-N 2.61Å; E137-S140 WeakPolarHBondContact O-CB 3.45Å |
| 138 | N | 42.2 | Very low | 45.3 | Very low | 131 Ų | 131 | 89.8 Ų | 89.8 | 70% | 0.701 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -81.5 | -34.3 | -172.9 | -77.7 | -48.7 | 0 | 0 | 0 | 113.5 | L135 S140 | L135-N138 PolarHBondContact O-N 3.09Å; N138-S140 VanDerWaalsContact C-N 3.33Å |
| 139 | E | 39.8 | Very low | 44.9 | Very low | 59 Ų | 59 | 88.8 Ų | 88.8 | 28% | 0.276 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -85.5 | -11.8 | 178.1 | -139.5 | 164.3 | -149.5 | 0 | 0 | 110.7 | L130 L135 N141 E142 N143 | L130-E139 WeakPolarHBondContact CD2-OE2 3.26Å; L135-E139 HydrophobicContact CD2-CB 4.43Å; L135-E139 WeakPolarHBondContact O-CA 3.46Å; L135-E139 WeakPolarHBondContact O-CB 3.37Å; L135-E139 PolarHBondContact O-N 3.14Å; E139-N141 PolarHBondContact O-N 3.16Å; E139-E142 PolarHBondContact O-N 2.73Å; E139-N143 HydrophobicContact CB-CB 4.39Å; E139-N143 HydrophobicContact CG-CB 4.39Å; E139-N143 WeakPolarHBondContact O-CB 3.45Å; E139-N143 PolarHBondContact O-N 3.07Å |
| 140 | S | 41.1 | Very low | 44.4 | Very low | 24 Ų | 24 | 85.2 Ų | 85.2 | 17% | 0.168 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -26.3 | -177.1 | 117.6 | 0 | 0 | 0 | 0 | 114.7 | W136 E137 N138 | W136-S140 WeakPolarHBondContact O-CB 3.29Å; E137-S140 WeakPolarHBondContact O-CB 3.45Å; N138-S140 VanDerWaalsContact C-N 3.33Å |
| 141 | N | 41.1 | Very low | 44.1 | Very low | 147 Ų | 147 | 88.5 Ų | 88.5 | 79% | 0.786 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -26.9 | 178.6 | -107 | -28.5 | 0 | 0 | 0 | 113.5 | E139 | E139-N141 PolarHBondContact O-N 3.16Š|
| 142 | E | 42.2 | Very low | 43.7 | Very low | 178 Ų | 178 | 87.7 Ų | 87.7 | 83% | 0.832 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | -19.5 | 178.5 | -67.7 | -167.9 | 157.7 | 0 | 0 | 112.7 | E139 A144 | E139-E142 PolarHBondContact O-N 2.73Å; E142-A144 PolarHBondContact O-N 3.1Å; E142-A144 VanDerWaalsContact O-N 3.1Å |
| 143 | N | 44.8 | Very low | 43 | Very low | 22 Ų | 22 | 83 Ų | 83 | 12% | 0.118 | 42% | 0.419 | C | S | . | . | trans | -79.5 | 104.6 | -172.2 | -157.9 | -19.6 | 0 | 0 | 0 | 109.7 | E139 L145 Y146 N147 | E139-N143 HydrophobicContact CB-CB 4.39Å; E139-N143 HydrophobicContact CG-CB 4.39Å; E139-N143 WeakPolarHBondContact O-CB 3.45Å; E139-N143 PolarHBondContact O-N 3.07Å; N143-L145 PolarHBondContact O-N 2.89Å; N143-L145 VanDerWaalsContact OD1-CB 3.27Å; N143-L145 WeakPolarHBondContact OD1-CB 3.48Å; N143-L145 PolarHBondContact OD1-N 3.42Å; N143-Y146 PolarHBondContact O-N 3.45Å; N143-N147 PolarHBondContact O-N 3.39Å | ||
| 144 | A | 45.8 | Very low | 42.3 | Very low | 38 Ų | 38 | 79.3 Ų | 79.3 | 31% | 0.314 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -47.2 | -28.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E142 W148 | E142-A144 PolarHBondContact O-N 3.1Å; E142-A144 VanDerWaalsContact O-N 3.1Å; A144-W148 WeakPolarHBondContact O-CB 3.49Å; A144-W148 PolarHBondContact O-N 3.02Å |
| 145 | L | 44 | Very low | 42.1 | Very low | 10 Ų | 10 | 79 Ų | 79 | 5% | 0.052 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 176 | -165.5 | 66.3 | 0 | 0 | 0 | 113.8 | E77 V80 A81 N143 W148 I149 | E77-L145 WeakPolarHBondContact O-CD1 3.33Å; V80-L145 HydrophobicContact CG1-CD2 4.33Å; A81-L145 HydrophobicContact CB-CD1 3.4Å; A81-L145 HydrophobicContact CB-CG 4.38Å; N143-L145 PolarHBondContact O-N 2.89Å; N143-L145 VanDerWaalsContact OD1-CB 3.27Å; N143-L145 WeakPolarHBondContact OD1-CB 3.48Å; N143-L145 PolarHBondContact OD1-N 3.42Å; L145-W148 PolarHBondContact O-N 3.18Å; L145-I149 HydrophobicContact CG-CD1 4.12Å; L145-I149 WeakPolarHBondContact O-CB 3.37Å; L145-I149 WeakPolarHBondContact O-CG1 3.47Å; L145-I149 PolarHBondContact O-N 2.86Å |
| 146 | Y | 43.1 | Very low | 41.7 | Very low | 100 Ų | 100 | 84.2 Ų | 84.2 | 39% | 0.392 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.9 | -43.3 | 178.9 | -176.3 | -106.2 | 0 | 0 | 0 | 110.8 | N143 W148 I149 I150 | N143-Y146 PolarHBondContact O-N 3.45Å; Y146-W148 VanDerWaalsContact C-N 3.26Å; Y146-W148 PolarHBondContact O-N 2.68Å; Y146-I149 PolarHBondContact O-N 2.83Å; Y146-I150 HydrophobicContact CD1-CD1 3.53Å; Y146-I150 HydrophobicContact CD1-CG1 4.42Å; Y146-I150 HydrophobicContact CE1-CD1 3.05Å; Y146-I150 HydrophobicContact CE1-CG1 4.14Å; Y146-I150 HydrophobicContact CE2-CD1 4.14Å; Y146-I150 HydrophobicContact CE2-CG1 4.47Å; Y146-I150 HydrophobicContact CG-CD1 4.26Å; Y146-I150 WeakPolarHBondContact O-CG1 3.45Å; Y146-I150 PolarHBondContact O-N 3.1Å |
| 147 | N | 44.8 | Very low | 41 | Very low | 84 Ų | 84 | 82.2 Ų | 82.2 | 45% | 0.449 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.2 | -38.6 | 173 | -75.6 | -39 | 0 | 0 | 0 | 111.5 | N143 S151 | N143-N147 PolarHBondContact O-N 3.39Å; N147-S151 WeakPolarHBondContact O-CB 3.21Å; N147-S151 PolarHBondContact O-N 2.9Å; N147-S151 PolarHBondContact O-OG 2.76Å |
| 148 | W | 43.7 | Very low | 40.8 | Very low | 54 Ų | 54 | 81.5 Ų | 81.5 | 21% | 0.205 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -68 | -47.8 | 176.7 | -175.1 | 84.5 | 0 | 0 | 0 | 111.3 | L23 P73 Q78 A81 A144 L145 Y146 I150 S151 Q152 | L23-W148 HydrophobicContact CD2-CZ2 4.49Å; P73-W148 HydrophobicContact CG-CG 4.2Å; Q78-W148 HydrophobicContact CG-CH2 3.95Å; Q78-W148 HydrophobicContact CG-CZ2 4.02Å; A81-W148 HydrophobicContact CB-CE3 3.93Å; A81-W148 HydrophobicContact CB-CH2 4.49Å; A81-W148 HydrophobicContact CB-CZ3 3.52Å; A144-W148 WeakPolarHBondContact O-CB 3.49Å; A144-W148 PolarHBondContact O-N 3.02Å; L145-W148 PolarHBondContact O-N 3.18Å; Y146-W148 VanDerWaalsContact C-N 3.26Å; Y146-W148 PolarHBondContact O-N 2.68Å; W148-I150 PolarHBondContact O-N 2.64Å; W148-S151 CarbonylContact O-C 3.53Å; W148-S151 WeakPolarHBondContact O-CA 3.42Å; W148-S151 WeakPolarHBondContact O-CB 3.35Å; W148-S151 PolarHBondContact O-N 3.02Å; W148-S151 VanDerWaalsContact O-N 3.07Å; W148-Q152 HydrophobicContact CD2-CG 4Å; W148-Q152 HydrophobicContact CE3-CG 4.13Å; W148-Q152 HydrophobicContact CH2-CG 4Å; W148-Q152 HydrophobicContact CZ2-CG 3.87Å; W148-Q152 HydrophobicContact CZ3-CG 4.12Å; W148-Q152 WeakPolarHBondContact O-CG 3.45Å; W148-Q152 PolarHBondContact O-N 3.04Å |
| 149 | I | 43 | Very low | 40.6 | Very low | 49 Ų | 49 | 84.9 Ų | 84.9 | 25% | 0.251 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 176.4 | -69 | 165.5 | 0 | 0 | 0 | 110.8 | A81 L145 Y146 S151 Q152 S153 | A81-I149 HydrophobicContact CB-CG1 4.5Å; L145-I149 HydrophobicContact CG-CD1 4.12Å; L145-I149 WeakPolarHBondContact O-CB 3.37Å; L145-I149 WeakPolarHBondContact O-CG1 3.47Å; L145-I149 PolarHBondContact O-N 2.86Å; Y146-I149 PolarHBondContact O-N 2.83Å; I149-S151 VanDerWaalsContact C-N 3.31Å; I149-S151 PolarHBondContact O-N 2.78Å; I149-Q152 PolarHBondContact O-N 3.17Å; I149-S153 WeakPolarHBondContact O-CB 3.13Å; I149-S153 PolarHBondContact O-N 3.35Å; I149-S153 PolarHBondContact O-OG 3.01Å |
| 150 | I | 41.6 | Very low | 40.2 | Very low | 79 Ų | 79 | 87.5 Ų | 87.5 | 41% | 0.405 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 175 | -67.6 | 170.5 | 0 | 0 | 0 | 110.8 | Y146 W148 Q152 S153 S154 | Y146-I150 HydrophobicContact CD1-CD1 3.53Å; Y146-I150 HydrophobicContact CD1-CG1 4.42Å; Y146-I150 HydrophobicContact CE1-CD1 3.05Å; Y146-I150 HydrophobicContact CE1-CG1 4.14Å; Y146-I150 HydrophobicContact CE2-CD1 4.14Å; Y146-I150 HydrophobicContact CE2-CG1 4.47Å; Y146-I150 HydrophobicContact CG-CD1 4.26Å; Y146-I150 WeakPolarHBondContact O-CG1 3.45Å; Y146-I150 PolarHBondContact O-N 3.1Å; W148-I150 PolarHBondContact O-N 2.64Å; I150-Q152 VanDerWaalsContact C-N 3.26Å; I150-Q152 PolarHBondContact O-N 2.82Å; I150-S153 WeakPolarHBondContact O-CA 3.14Å; I150-S153 WeakPolarHBondContact O-CB 3.46Å; I150-S153 PolarHBondContact O-N 3.22Å; I150-S154 PolarHBondContact O-N 2.68Å |
| 151 | S | 41.1 | Very low | 39.8 | Very low | 80 Ų | 80 | 95.8 Ų | 95.8 | 56% | 0.559 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.7 | -32.5 | 177.8 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | N147 W148 I149 | N147-S151 WeakPolarHBondContact O-CB 3.21Å; N147-S151 PolarHBondContact O-N 2.9Å; N147-S151 PolarHBondContact O-OG 2.76Å; W148-S151 CarbonylContact O-C 3.53Å; W148-S151 WeakPolarHBondContact O-CA 3.42Å; W148-S151 WeakPolarHBondContact O-CB 3.35Å; W148-S151 PolarHBondContact O-N 3.02Å; W148-S151 VanDerWaalsContact O-N 3.07Å; I149-S151 VanDerWaalsContact C-N 3.31Å; I149-S151 PolarHBondContact O-N 2.78Å |
| 152 | Q | 43.5 | Very low | 39.5 | Very low | 68 Ų | 68 | 95.8 Ų | 95.8 | 32% | 0.318 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -75.4 | -27.5 | 170.7 | -60.9 | -45.3 | -72.8 | 0 | 0 | 112.5 | W148 I149 I150 S154 P155 | W148-Q152 HydrophobicContact CD2-CG 4Å; W148-Q152 HydrophobicContact CE3-CG 4.13Å; W148-Q152 HydrophobicContact CH2-CG 4Å; W148-Q152 HydrophobicContact CZ2-CG 3.87Å; W148-Q152 HydrophobicContact CZ3-CG 4.12Å; W148-Q152 WeakPolarHBondContact O-CG 3.45Å; W148-Q152 PolarHBondContact O-N 3.04Å; I149-Q152 PolarHBondContact O-N 3.17Å; I150-Q152 VanDerWaalsContact C-N 3.26Å; I150-Q152 PolarHBondContact O-N 2.82Å; Q152-S154 PolarHBondContact O-N 3.21Å; Q152-P155 WeakPolarHBondContact O-CD 3.36Å |
| 153 | S | 37.3 | Very low | 39.2 | Very low | 77 Ų | 77 | 91.4 Ų | 91.4 | 54% | 0.538 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -0.9 | 177.4 | -52.7 | 0 | 0 | 0 | 0 | 113.5 | I149 I150 P155 | I149-S153 WeakPolarHBondContact O-CB 3.13Å; I149-S153 PolarHBondContact O-N 3.35Å; I149-S153 PolarHBondContact O-OG 3.01Å; I150-S153 WeakPolarHBondContact O-CA 3.14Å; I150-S153 WeakPolarHBondContact O-CB 3.46Å; I150-S153 PolarHBondContact O-N 3.22Å; S153-P155 WeakPolarHBondContact O-CD 3.38Å |
| 154 | S | 31.4 | Very low | 38.8 | Very low | 81 Ų | 81 | 100.4 Ų | 100.4 | 57% | 0.566 | 54% | 0.54 | S | S | * | . | trans | -109.2 | 63.9 | 170.1 | -165.8 | 0 | 0 | 0 | 0 | 112 | I150 Q152 D156 | I150-S154 PolarHBondContact O-N 2.68Å; Q152-S154 PolarHBondContact O-N 3.21Å; S154-D156 PolarHBondContact O-N 2.96Å | ||
| 155 | P | 41.5 | Very low | 38.4 | Very low | 89 Ų | 89 | 107 Ų | 107 | 58% | 0.578 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 4.9 | 178 | 30.5 | -33.4 | 0 | 0 | 0 | 114.7 | Q152 S153 | Q152-P155 WeakPolarHBondContact O-CD 3.36Å; S153-P155 WeakPolarHBondContact O-CD 3.38Å |
| 156 | D | 34.7 | Very low | 38.1 | Very low | 146 Ų | 146 | 113.7 Ų | 113.7 | 78% | 0.781 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 1.5 | -172.5 | -102.5 | -47.9 | 0 | 0 | 0 | 117.1 | S154 | S154-D156 PolarHBondContact O-N 2.96Š|
| 157 | D | 31.9 | Very low | 37.6 | Very low | 96 Ų | 96 | 111.2 Ų | 111.2 | 51% | 0.513 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -128.5 | 16.1 | -178.4 | -106.3 | -32.8 | 0 | 0 | 0 | 116 | N160 | D157-N160 WeakPolarHBondContact OD1-CB 3.39Š|
| 158 | A | 38.3 | Very low | 37.4 | Very low | 99 Ų | 99 | 113.2 Ų | 113.2 | 82% | 0.818 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -81.3 | -13 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 159 | K | 38.4 | Very low | 37.2 | Very low | 202 Ų | 202 | 120 Ų | 120 | 88% | 0.878 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -114 | -12.7 | 176 | -68.3 | -164.5 | 178.1 | 179.1 | 0 | 115.1 | K161 | K159-K161 PolarHBondContact O-N 2.76Š|
| 160 | N | 32 | Very low | 37.1 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 61% | 0.61 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -93.2 | 93.4 | 164.3 | -93.9 | -29.4 | 0 | 0 | 0 | 108.4 | D157 L162 | D157-N160 WeakPolarHBondContact OD1-CB 3.39Å; N160-L162 PolarHBondContact O-N 3.06Å |
| 161 | K | 31.6 | Very low | 36.8 | Very low | 198 Ų | 198 | 124.5 Ų | 124.5 | 86% | 0.861 | 69% | 0.685 | S | S | * | * | trans | -39.5 | 110.2 | 161.2 | -66.9 | -173.9 | 178.9 | -165 | 0 | 107.5 | K159 P163 | K159-K161 PolarHBondContact O-N 2.76Å; K161-P163 WeakPolarHBondContact O-CD 3.36Å | ||
| 162 | L | 35.2 | Very low | 36.8 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 77% | 0.77 | 69% | 0.693 | S | S | * | * | trans | -41.7 | 105.8 | 179.1 | -77.2 | 121.4 | 0 | 0 | 0 | 108 | N160 K164 | N160-L162 PolarHBondContact O-N 3.06Å; L162-K164 PolarHBondContact O-N 2.85Å | ||
| 163 | P | 34.9 | Very low | 36.7 | Very low | 87 Ų | 87 | 132.9 Ų | 132.9 | 57% | 0.565 | 72% | 0.719 | S | S | * | * | trans | -64.7 | 121.3 | 169.9 | 14.7 | -8.3 | 0 | 0 | 0 | 103.2 | K161 K165 | K161-P163 WeakPolarHBondContact O-CD 3.36Å; P163-K165 HydrophobicContact CB-CG 4.27Å; P163-K165 HydrophobicContact CG-CG 4.41Å; P163-K165 PolarHBondContact O-N 2.84Å | ||
| 164 | K | 37.8 | Very low | 36.8 | Very low | 211 Ų | 211 | 137.7 Ų | 137.7 | 92% | 0.917 | 73% | 0.73 | S | S | * | * | trans | -55.4 | 79.1 | 172.6 | -76.1 | 178.6 | 174.7 | 176.4 | 0 | 108.1 | L162 T166 | L162-K164 PolarHBondContact O-N 2.85Å; K164-T166 PolarHBondContact O-N 3.19Å; K164-T166 VanDerWaalsContact O-N 3.16Å | ||
| 165 | K | 37.2 | Very low | 37.1 | Very low | 176 Ų | 176 | 138 Ų | 138 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | trans | -85.8 | 94.9 | 179.5 | -79.6 | -161.6 | 175.2 | -178.8 | 0 | 105.6 | P163 G167 | P163-K165 HydrophobicContact CB-CG 4.27Å; P163-K165 HydrophobicContact CG-CG 4.41Å; P163-K165 PolarHBondContact O-N 2.84Å; K165-G167 PolarHBondContact O-N 3.11Å | ||
| 166 | T | 37.2 | Very low | 36.9 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 93% | 0.926 | 74% | 0.741 | S | S | * | * | trans | -48.4 | 81.9 | 139.7 | 31.2 | 0 | 0 | 0 | 0 | 108.2 | K164 | K164-T166 PolarHBondContact O-N 3.19Å; K164-T166 VanDerWaalsContact O-N 3.16Å | ||
| 167 | G | 32.6 | Very low | 37 | Very low | 48 Ų | 48 | 139.2 Ų | 139.2 | 50% | 0.495 | 74% | 0.739 | S | S | . | * | trans | -125.9 | 154.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | K165 K169 | K165-G167 PolarHBondContact O-N 3.11Å; G167-K169 PolarHBondContact O-N 3.12Å | ||
| 168 | P | 41 | Very low | 37.2 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -66.2 | 130.8 | -157.9 | -11.6 | 25.9 | 0 | 0 | 0 | 110.6 | V170 | P168-V170 PolarHBondContact O-N 3.43Š| ||
| 169 | K | 39.6 | Very low | 37.2 | Very low | 195 Ų | 195 | 143.8 Ų | 143.8 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | trans | -52 | 110.4 | 173.1 | -123.4 | 173.5 | 177 | -179.6 | 0 | 108.3 | G167 D171 | G167-K169 PolarHBondContact O-N 3.12Å; K169-D171 PolarHBondContact O-N 3.3Å | ||
| 170 | V | 40.1 | Very low | 37 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 65% | 0.648 | 74% | 0.743 | S | S | * | * | trans | -74.6 | 103.2 | 170.7 | 177.9 | 0 | 0 | 0 | 0 | 106.1 | P168 F172 | P168-V170 PolarHBondContact O-N 3.43Å; V170-F172 PolarHBondContact O-N 3.17Å; V170-F172 VanDerWaalsContact O-N 3.14Å | ||
| 171 | D | 34.9 | Very low | 37.2 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 62% | 0.62 | 75% | 0.75 | S | S | * | * | trans | -65.3 | 109.9 | 171.5 | -83.3 | -42 | 0 | 0 | 0 | 108.9 | K169 D173 K174 | K169-D171 PolarHBondContact O-N 3.3Å; D171-D173 PolarHBondContact O-N 2.97Å; D171-D173 VanDerWaalsContact O-N 3.09Å; D171-K174 PolarHBondContact O-N 2.8Å; D171-K174 VanDerWaalsContact O-N 3.17Å | ||
| 172 | F | 41 | Very low | 37.6 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -57.3 | -21.6 | 179.4 | -95.2 | -93.2 | 0 | 0 | 0 | 113.3 | V170 K174 T175 | V170-F172 PolarHBondContact O-N 3.17Å; V170-F172 VanDerWaalsContact O-N 3.14Å; F172-K174 PolarHBondContact O-N 2.84Å; F172-K174 VanDerWaalsContact O-N 3.15Å; F172-T175 PolarHBondContact O-N 3.39Å; F172-T175 VanDerWaalsContact O-N 3.08Å |
| 173 | D | 41.8 | Very low | 37.5 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -65.1 | -15.9 | 178.5 | -77.1 | -17.2 | 0 | 0 | 0 | 113.7 | D171 | D171-D173 PolarHBondContact O-N 2.97Å; D171-D173 VanDerWaalsContact O-N 3.09Å |
| 174 | K | 38.8 | Very low | 37.3 | Very low | 177 Ų | 177 | 143.2 Ų | 143.2 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -99.4 | -9.6 | 172.7 | -70.8 | -166.6 | 177.9 | -177.1 | 0 | 114.7 | D171 F172 T177 | D171-K174 PolarHBondContact O-N 2.8Å; D171-K174 VanDerWaalsContact O-N 3.17Å; F172-K174 PolarHBondContact O-N 2.84Å; F172-K174 VanDerWaalsContact O-N 3.15Å; K174-T177 PolarHBondContact O-OG1 3.08Å |
| 175 | T | 38.6 | Very low | 37.1 | Very low | 89 Ų | 89 | 144 Ų | 144 | 55% | 0.546 | 75% | 0.753 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.8 | -1.7 | -174 | -18.4 | 0 | 0 | 0 | 0 | 113.8 | F172 T177 | F172-T175 PolarHBondContact O-N 3.39Å; F172-T175 VanDerWaalsContact O-N 3.08Å; T175-T177 PolarHBondContact O-N 3.04Å |
| 176 | V | 37.8 | Very low | 36.9 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | -88.7 | 53.1 | 166.3 | -164.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 177 | T | 36.8 | Very low | 37 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | -95.5 | 110.8 | 164.9 | -42.2 | 0 | 0 | 0 | 0 | 106.9 | K174 T175 R179 | K174-T177 PolarHBondContact O-OG1 3.08Å; T175-T177 PolarHBondContact O-N 3.04Å; T177-R179 PolarHBondContact O-N 3.26Å | ||
| 178 | G | 35.9 | Very low | 37 | Very low | 57 Ų | 57 | 146.9 Ų | 146.9 | 59% | 0.588 | 76% | 0.763 | S | S | * | * | trans | -29.7 | 121.1 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | T180 | G178-T180 PolarHBondContact O-N 3.36Å; G178-T180 PolarHBondContact O-OG1 3.33Å | ||
| 179 | R | 39 | Very low | 36.8 | Very low | 235 Ų | 235 | 150.3 Ų | 150.3 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | trans | -57 | 95.6 | 150.6 | -82.8 | -176.3 | 176.7 | -177.1 | -0.5 | 107.2 | T177 F181 | T177-R179 PolarHBondContact O-N 3.26Å; R179-F181 PolarHBondContact O-N 3.24Å | ||
| 180 | T | 32.8 | Very low | 36.8 | Very low | 131 Ų | 131 | 147.9 Ų | 147.9 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -69.7 | 98.7 | 172.5 | -57.5 | 0 | 0 | 0 | 0 | 105.7 | G178 | G178-T180 PolarHBondContact O-N 3.36Å; G178-T180 PolarHBondContact O-OG1 3.33Å | ||
| 181 | F | 35.7 | Very low | 36.5 | Very low | 174 Ų | 174 | 151.6 Ų | 151.6 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | trans | -56.7 | 124.9 | 170.3 | -76.9 | -89.3 | 0 | 0 | 0 | 107.6 | R179 R183 | R179-F181 PolarHBondContact O-N 3.24Å; F181-R183 PolarHBondContact O-N 3.48Å | ||
| 182 | P | 40.6 | Very low | 36.8 | Very low | 121 Ų | 121 | 151.2 Ų | 151.2 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -59.1 | 116.4 | 178 | 22 | -29.6 | 0 | 0 | 0 | 107.3 | G184 | P182-G184 PolarHBondContact O-N 3.21Š| ||
| 183 | R | 32.8 | Very low | 36.8 | Very low | 253 Ų | 253 | 147.7 Ų | 147.7 | 96% | 0.955 | 78% | 0.777 | S | S | * | * | trans | -67 | 71.2 | 179.1 | -157.1 | 174.2 | -174.6 | 128.4 | -2.6 | 108.4 | F181 R185 | F181-R183 PolarHBondContact O-N 3.48Å; R183-R185 PolarHBondContact O-N 3.29Å; R183-R185 VanDerWaalsContact O-N 3.1Å | ||
| 184 | G | 31.3 | Very low | 36.7 | Very low | 57 Ų | 57 | 145.8 Ų | 145.8 | 59% | 0.588 | 77% | 0.771 | S | S | * | * | trans | -68.9 | 103.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | P182 | P182-G184 PolarHBondContact O-N 3.21Š| ||
| 185 | R | 32.7 | Very low | 36.6 | Very low | 226 Ų | 226 | 144.5 Ų | 144.5 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 37.8 | 104.3 | 161.8 | -57.8 | -167.8 | -170.9 | -118.8 | 0.8 | 114.9 | R183 Y187 | R183-R185 PolarHBondContact O-N 3.29Å; R183-R185 VanDerWaalsContact O-N 3.1Å; R185-Y187 WeakPolarHBondContact O-CD2 3.4Å; R185-Y187 PolarHBondContact O-N 3.2Å |
| 186 | A | 34.4 | Very low | 36.6 | Very low | 98 Ų | 98 | 148.6 Ų | 148.6 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -21.5 | 95 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V188 | A186-V188 VanDerWaalsContact C-N 3.26Å; A186-V188 PolarHBondContact O-N 2.96Å | ||
| 187 | Y | 37.9 | Very low | 36.5 | Very low | 221 Ų | 221 | 149.8 Ų | 149.8 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -65 | 104.8 | 155.6 | -75.6 | -91.8 | 0 | 0 | 0 | 104 | R185 K189 | R185-Y187 WeakPolarHBondContact O-CD2 3.4Å; R185-Y187 PolarHBondContact O-N 3.2Å; Y187-K189 PolarHBondContact O-N 3.47Å | ||
| 188 | V | 34.4 | Very low | 36.4 | Very low | 118 Ų | 118 | 150.8 Ų | 150.8 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | trans | -43.7 | 127.2 | 168.5 | 172.6 | 0 | 0 | 0 | 0 | 106.6 | A186 D190 | A186-V188 VanDerWaalsContact C-N 3.26Å; A186-V188 PolarHBondContact O-N 2.96Å; V188-D190 VanDerWaalsContact C-N 3.28Å; V188-D190 PolarHBondContact O-N 2.98Å | ||
| 189 | K | 36.9 | Very low | 36.4 | Very low | 198 Ų | 198 | 154.3 Ų | 154.3 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -55.4 | 94.1 | 174.9 | -76.8 | 176.6 | 170.5 | -175.9 | 0 | 108.9 | Y187 | Y187-K189 PolarHBondContact O-N 3.47Š|
| 190 | D | 37.9 | Very low | 36.4 | Very low | 144 Ų | 144 | 151 Ų | 151 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -130.7 | 52.6 | 153.7 | -77 | -37.5 | 0 | 0 | 0 | 106.7 | V188 P192 | V188-D190 VanDerWaalsContact C-N 3.28Å; V188-D190 PolarHBondContact O-N 2.98Å; D190-P192 VanDerWaalsContact O-CD 3.26Å; D190-P192 WeakPolarHBondContact O-CD 3.12Å | ||
| 191 | E | 34.9 | Very low | 36.6 | Very low | 184 Ų | 184 | 151 Ų | 151 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -77.4 | 113.8 | 153.8 | -85.3 | -156.9 | 158.3 | 0 | 0 | 106.6 | A193 | E191-A193 PolarHBondContact O-N 3.27Å; E191-A193 VanDerWaalsContact O-N 3.15Å | ||
| 192 | P | 40 | Very low | 36.6 | Very low | 109 Ų | 109 | 145.7 Ų | 145.7 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | trans | -60.8 | 121.9 | 163.7 | 26.3 | -30.5 | 0 | 0 | 0 | 106.3 | D190 V194 | D190-P192 VanDerWaalsContact O-CD 3.26Å; D190-P192 WeakPolarHBondContact O-CD 3.12Å; P192-V194 VanDerWaalsContact C-N 3.34Å; P192-V194 PolarHBondContact O-N 3.17Å | ||
| 193 | A | 41.2 | Very low | 36.5 | Very low | 92 Ų | 92 | 150.9 Ų | 150.9 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | trans | -50.6 | 101.4 | 173 | 0 | 0 | 0 | 0 | 0 | 108.5 | E191 E195 | E191-A193 PolarHBondContact O-N 3.27Å; E191-A193 VanDerWaalsContact O-N 3.15Å; A193-E195 PolarHBondContact O-N 3.31Å | ||
| 194 | V | 40.8 | Very low | 36.6 | Very low | 118 Ų | 118 | 153.4 Ų | 153.4 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | trans | -71.2 | 89.5 | 167.2 | -176.7 | 0 | 0 | 0 | 0 | 104.1 | P192 F196 | P192-V194 VanDerWaalsContact C-N 3.34Å; P192-V194 PolarHBondContact O-N 3.17Å; V194-F196 PolarHBondContact O-N 3.21Å | ||
| 195 | E | 36.1 | Very low | 36.9 | Very low | 150 Ų | 150 | 158.2 Ų | 158.2 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -56.7 | 96.2 | 167.7 | -75.5 | -174.8 | 172.9 | 0 | 0 | 107.1 | A193 K197 | A193-E195 PolarHBondContact O-N 3.31Å; E195-K197 PolarHBondContact O-N 3.44Å | ||
| 196 | F | 37.8 | Very low | 37.1 | Very low | 176 Ų | 176 | 154.6 Ų | 154.6 | 77% | 0.772 | 79% | 0.786 | S | S | * | * | trans | -59.8 | 86.9 | 157 | -99.4 | -94.1 | 0 | 0 | 0 | 106.4 | V194 N198 | V194-F196 PolarHBondContact O-N 3.21Å; F196-N198 PolarHBondContact O-N 3.16Å | ||
| 197 | K | 35.9 | Very low | 37.3 | Very low | 161 Ų | 161 | 157.8 Ų | 157.8 | 70% | 0.7 | 79% | 0.785 | S | S | * | * | trans | -64 | 92.1 | 160.5 | -72.7 | -176.8 | -179.2 | 178.3 | 0 | 105.6 | E195 N199 | E195-K197 PolarHBondContact O-N 3.44Å; K197-N199 PolarHBondContact O-N 2.6Å | ||
| 198 | N | 35.6 | Very low | 37.2 | Very low | 144 Ų | 144 | 154.1 Ų | 154.1 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -57.2 | 78.4 | 157.2 | -83.9 | -18.7 | 0 | 0 | 0 | 107.2 | F196 L200 | F196-N198 PolarHBondContact O-N 3.16Å; N198-L200 PolarHBondContact O-N 3.04Å | ||
| 199 | N | 35.1 | Very low | 37.4 | Very low | 130 Ų | 130 | 156.3 Ų | 156.3 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | trans | -70.4 | 77.1 | 159.3 | -94.6 | -1.6 | 0 | 0 | 0 | 105.8 | K197 I201 | K197-N199 PolarHBondContact O-N 2.6Å; N199-I201 HydrophobicContact CB-CG1 4.31Å; N199-I201 PolarHBondContact O-N 2.86Å | ||
| 200 | L | 38.9 | Very low | 37.5 | Very low | 165 Ų | 165 | 153.5 Ų | 153.5 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -60.5 | 83 | 154.1 | -168.7 | 74.3 | 0 | 0 | 0 | 105.2 | N198 G202 | N198-L200 PolarHBondContact O-N 3.04Å; L200-G202 VanDerWaalsContact C-N 3.31Å; L200-G202 PolarHBondContact O-N 3.45Å | ||
| 201 | I | 38.4 | Very low | 37.4 | Very low | 133 Ų | 133 | 154.2 Ų | 154.2 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | trans | -62 | 102.9 | 170.9 | -69 | 167.2 | 0 | 0 | 0 | 104.5 | N199 Y203 | N199-I201 HydrophobicContact CB-CG1 4.31Å; N199-I201 PolarHBondContact O-N 2.86Å; I201-Y203 PolarHBondContact O-N 3.4Å; I201-Y203 VanDerWaalsContact O-N 3.12Å | ||
| 202 | G | 35.3 | Very low | 37.6 | Very low | 62 Ų | 62 | 151.9 Ų | 151.9 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | trans | -56.4 | 115.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | L200 R204 | L200-G202 VanDerWaalsContact C-N 3.31Å; L200-G202 PolarHBondContact O-N 3.45Å; G202-R204 VanDerWaalsContact C-N 3.25Å; G202-R204 PolarHBondContact O-N 3.49Å | ||
| 203 | Y | 38.6 | Very low | 37.4 | Very low | 229 Ų | 229 | 155.5 Ų | 155.5 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | trans | -65.7 | 96.8 | 158.2 | -81.4 | -91.8 | 0 | 0 | 0 | 106.8 | I201 | I201-Y203 PolarHBondContact O-N 3.4Å; I201-Y203 VanDerWaalsContact O-N 3.12Å | ||
| 204 | R | 35.4 | Very low | 37.1 | Very low | 306 Ų | 306 | 161.3 Ų | 161.3 | 100% | 1.155 | 78% | 0.781 | S | S | * | * | trans | -66.6 | 0 | 161 | -159.6 | -174.7 | -160.9 | -154.3 | 5.3 | 109.4 | G202 | G202-R204 VanDerWaalsContact C-N 3.25Å; G202-R204 PolarHBondContact O-N 3.49Å |
Retrieved 204 of 204 residues in 267.3 ms
(Link to these results)