| 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 | 55.7 | Low | 63.9 | Low | 224 Ų | 224 | 127.6 Ų | 127.6 | 100% | 1.103 | 64% | 0.644 | S | S | * | * | 0 | -27.2 | 0 | -116.8 | 163.9 | 178 | 0 | 0 | 114.2 | N3 | M1-N3 PolarHBondContact O-N 3.26Š| |||
| 2 | S | 59.7 | Low | 63.8 | Low | 68 Ų | 68 | 132 Ų | 132 | 48% | 0.476 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -64.7 | -30.8 | -176.3 | -151.2 | 0 | 0 | 0 | 0 | 115.9 | R4 I5 Y6 | S2-R4 PolarHBondContact O-N 3.42Å; S2-I5 PolarHBondContact O-N 3.34Å; S2-Y6 WeakPolarHBondContact O-CD2 3.14Å |
| 3 | N | 61.7 | Low | 63.5 | Low | 139 Ų | 139 | 131.8 Ų | 131.8 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.5 | -24.6 | -175.2 | -74.7 | -15.1 | 0 | 0 | 0 | 115.1 | M1 I5 S7 | M1-N3 PolarHBondContact O-N 3.26Å; N3-I5 VanDerWaalsContact C-N 3.35Å; N3-S7 PolarHBondContact O-N 3.28Å |
| 4 | R | 66.1 | Low | 63.6 | Low | 216 Ų | 216 | 127.5 Ų | 127.5 | 82% | 0.815 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -74.9 | -26.4 | 176.4 | -72.6 | -167.7 | 178.2 | -126.8 | 2.5 | 112.8 | S2 S7 A8 | S2-R4 PolarHBondContact O-N 3.42Å; R4-S7 PolarHBondContact O-OG 3.29Å; R4-A8 PolarHBondContact O-N 3.45Å |
| 5 | I | 68.5 | Low | 62.5 | Low | 108 Ų | 108 | 127.1 Ų | 127.1 | 55% | 0.554 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.9 | -40.9 | 178.2 | -57.2 | 175.3 | 0 | 0 | 0 | 109.5 | S2 N3 A8 L9 | S2-I5 PolarHBondContact O-N 3.34Å; N3-I5 VanDerWaalsContact C-N 3.35Å; I5-A8 PolarHBondContact O-N 2.99Å; I5-L9 HydrophobicContact CG2-CD1 4.01Å; I5-L9 PolarHBondContact O-N 2.86Å |
| 6 | Y | 64.4 | Low | 61.7 | Low | 153 Ų | 153 | 125.8 Ų | 125.8 | 60% | 0.6 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -62.5 | -42.8 | 176.6 | -70.8 | -72.8 | 0 | 0 | 0 | 112.8 | S2 A8 L9 Y10 | S2-Y6 WeakPolarHBondContact O-CD2 3.14Å; Y6-A8 PolarHBondContact O-N 3.15Å; Y6-L9 PolarHBondContact O-N 3.48Å; Y6-Y10 WeakPolarHBondContact O-CB 3.48Å; Y6-Y10 PolarHBondContact O-N 3.04Å |
| 7 | S | 65.8 | Low | 61 | Low | 76 Ų | 76 | 128.6 Ų | 128.6 | 53% | 0.531 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -69.6 | -33.9 | 179.6 | 73.2 | 0 | 0 | 0 | 0 | 113.1 | N3 R4 Y10 S11 | N3-S7 PolarHBondContact O-N 3.28Å; R4-S7 PolarHBondContact O-OG 3.29Å; S7-Y10 PolarHBondContact O-N 3.38Å; S7-S11 PolarHBondContact O-N 3.18Å; S7-S11 PolarHBondContact O-OG 2.94Å |
| 8 | A | 70.2 | Confident | 60.1 | Low | 55 Ų | 55 | 130.4 Ų | 130.4 | 46% | 0.455 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -72 | -34.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R4 I5 Y6 S11 K12 | R4-A8 PolarHBondContact O-N 3.45Å; I5-A8 PolarHBondContact O-N 2.99Å; Y6-A8 PolarHBondContact O-N 3.15Å; A8-S11 PolarHBondContact O-OG 3.47Å; A8-K12 PolarHBondContact O-N 3.29Å |
| 9 | L | 65.1 | Low | 59.2 | Low | 97 Ų | 97 | 127.2 Ų | 127.2 | 51% | 0.508 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -68.5 | -42.8 | 171 | -79.4 | 164.8 | 0 | 0 | 0 | 111 | I5 Y6 S11 K12 I13 | I5-L9 HydrophobicContact CG2-CD1 4.01Å; I5-L9 PolarHBondContact O-N 2.86Å; Y6-L9 PolarHBondContact O-N 3.48Å; L9-S11 PolarHBondContact O-N 2.72Å; L9-K12 PolarHBondContact O-N 2.8Å; L9-I13 WeakPolarHBondContact O-CD1 3.16Å; L9-I13 VanDerWaalsContact O-CG1 3.22Å; L9-I13 WeakPolarHBondContact O-CG1 3.25Å; L9-I13 PolarHBondContact O-N 3.24Å; L9-I13 VanDerWaalsContact O-N 3.1Å |
| 10 | Y | 62.8 | Low | 58.6 | Low | 188 Ų | 188 | 126 Ų | 126 | 74% | 0.737 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -63.8 | -40.9 | -179.9 | -137.4 | -91.2 | 0 | 0 | 0 | 112.7 | Y6 S7 K12 I13 A14 | Y6-Y10 WeakPolarHBondContact O-CB 3.48Å; Y6-Y10 PolarHBondContact O-N 3.04Å; S7-Y10 PolarHBondContact O-N 3.38Å; Y10-K12 VanDerWaalsContact C-N 3.34Å; Y10-K12 PolarHBondContact O-N 2.89Å; Y10-I13 PolarHBondContact O-N 3.05Å; Y10-A14 VanDerWaalsContact O-CB 3.31Å; Y10-A14 WeakPolarHBondContact O-CB 3.37Å; Y10-A14 PolarHBondContact O-N 3.33Å |
| 11 | S | 63.3 | Low | 58.1 | Low | 80 Ų | 80 | 128.7 Ų | 128.7 | 56% | 0.559 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -70.8 | -28.5 | 178.3 | 66.2 | 0 | 0 | 0 | 0 | 113.3 | S7 A8 L9 | S7-S11 PolarHBondContact O-N 3.18Å; S7-S11 PolarHBondContact O-OG 2.94Å; A8-S11 PolarHBondContact O-OG 3.47Å; L9-S11 PolarHBondContact O-N 2.72Å |
| 12 | K | 62.6 | Low | 57.6 | Low | 180 Ų | 180 | 123.6 Ų | 123.6 | 78% | 0.783 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -74.5 | -30.2 | 174.2 | -123.1 | -179.7 | -174.8 | -73.9 | 0 | 112.6 | A8 L9 Y10 | A8-K12 PolarHBondContact O-N 3.29Å; L9-K12 PolarHBondContact O-N 2.8Å; Y10-K12 VanDerWaalsContact C-N 3.34Å; Y10-K12 PolarHBondContact O-N 2.89Å |
| 13 | I | 59.6 | Low | 57.1 | Low | 129 Ų | 129 | 126.3 Ų | 126.3 | 66% | 0.662 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -82.2 | -29.6 | 178.6 | -65.2 | 163.5 | 0 | 0 | 0 | 111.2 | L9 Y10 N15 | L9-I13 WeakPolarHBondContact O-CD1 3.16Å; L9-I13 VanDerWaalsContact O-CG1 3.22Å; L9-I13 WeakPolarHBondContact O-CG1 3.25Å; L9-I13 PolarHBondContact O-N 3.24Å; L9-I13 VanDerWaalsContact O-N 3.1Å; Y10-I13 PolarHBondContact O-N 3.05Å; I13-N15 VanDerWaalsContact C-N 3.26Å; I13-N15 PolarHBondContact O-N 3.49Å |
| 14 | A | 64.5 | Low | 56.9 | Low | 72 Ų | 72 | 123.5 Ų | 123.5 | 60% | 0.595 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -79.1 | 4.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y10 P16 | Y10-A14 VanDerWaalsContact O-CB 3.31Å; Y10-A14 WeakPolarHBondContact O-CB 3.37Å; Y10-A14 PolarHBondContact O-N 3.33Å; A14-P16 WeakPolarHBondContact O-CD 3.12Å |
| 15 | N | 47.5 | Very low | 56.6 | Low | 121 Ų | 121 | 120.1 Ų | 120.1 | 65% | 0.647 | 67% | 0.665 | S | S | * | * | trans | -118.6 | 86.1 | 176.1 | -166.6 | -10.5 | 0 | 0 | 0 | 110.8 | I13 Q17 | I13-N15 VanDerWaalsContact C-N 3.26Å; I13-N15 PolarHBondContact O-N 3.49Å; N15-Q17 PolarHBondContact O-N 2.97Å | ||
| 16 | P | 50.2 | Low | 55.8 | Low | 106 Ų | 106 | 120.9 Ų | 120.9 | 69% | 0.688 | 67% | 0.67 | S | S | * | * | trans | -100.2 | 41.2 | -169.7 | 34.1 | -22.2 | 0 | 0 | 0 | 112.7 | A14 | A14-P16 WeakPolarHBondContact O-CD 3.12Š| ||
| 17 | Q | 49 | Very low | 55.7 | Low | 174 Ų | 174 | 117.6 Ų | 117.6 | 81% | 0.813 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -95.3 | 5.3 | -176.2 | -111.8 | -133.2 | -87.3 | 0 | 0 | 116 | N15 | N15-Q17 PolarHBondContact O-N 2.97Š|
| 18 | N | 45.3 | Very low | 55.6 | Low | 162 Ų | 162 | 121.1 Ų | 121.1 | 87% | 0.866 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -143.8 | 38.2 | -170.5 | -155.3 | 37.5 | 0 | 0 | 0 | 116 | ||
| 19 | S | 43.3 | Very low | 55.2 | Low | 69 Ų | 69 | 122 Ų | 122 | 48% | 0.483 | 68% | 0.677 | S | S | . | * | trans | -144.5 | 62.3 | -176 | 57 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 20 | S | 46.4 | Very low | 54.8 | Low | 103 Ų | 103 | 122.4 Ų | 122.4 | 72% | 0.72 | 68% | 0.679 | S | S | * | * | trans | -144 | 32.5 | 161.9 | -46.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 21 | E | 48.9 | Very low | 54.6 | Low | 183 Ų | 183 | 118.2 Ų | 118.2 | 86% | 0.855 | 67% | 0.669 | S | S | * | * | S | Bend | -64.5 | 118.8 | 116.3 | -73.6 | -171.6 | 120.7 | 0 | 0 | 103.6 | |||
| 22 | D | 44.6 | Very low | 54.6 | Low | 117 Ų | 117 | 117.6 Ų | 117.6 | 63% | 0.626 | 66% | 0.664 | S | S | * | * | trans | 67.7 | 75.8 | 174.9 | -48.3 | -37.7 | 0 | 0 | 0 | 114.3 | A24 | D22-A24 HydrophobicContact CB-CB 4.03Å; D22-A24 PolarHBondContact O-N 2.82Å | ||
| 23 | S | 49.8 | Very low | 54.8 | Low | 124 Ų | 124 | 116.3 Ų | 116.3 | 87% | 0.867 | 66% | 0.659 | S | S | * | * | S | Bend | 35.9 | 3.7 | 81.3 | -54.8 | 0 | 0 | 0 | 0 | 117.7 | |||
| 24 | A | 58 | Low | 55 | Low | 81 Ų | 81 | 116.2 Ų | 116.2 | 67% | 0.669 | 66% | 0.659 | S | S | * | * | trans | -134.9 | 4.7 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114 | D22 | D22-A24 HydrophobicContact CB-CB 4.03Å; D22-A24 PolarHBondContact O-N 2.82Å | ||
| 25 | L | 57.9 | Low | 55.1 | Low | 144 Ų | 144 | 120.5 Ų | 120.5 | 75% | 0.754 | 66% | 0.664 | S | S | * | * | trans | -116 | 12.1 | -177.7 | -75.5 | 173.6 | 0 | 0 | 0 | 114.8 | ||||
| 26 | L | 52.1 | Low | 55.6 | Low | 124 Ų | 124 | 119.2 Ų | 119.2 | 65% | 0.649 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -77.7 | 123.9 | 166.2 | -68.9 | -170.3 | 0 | 0 | 0 | 108.7 | E28 | L26-E28 PolarHBondContact O-N 3.28Š|
| 27 | P | 63.7 | Low | 56 | Low | 84 Ų | 84 | 119.2 Ų | 119.2 | 55% | 0.545 | 67% | 0.667 | S | S | . | * | trans | -59.6 | 129.9 | -179.8 | 26 | -33.4 | 0 | 0 | 0 | 108.9 | P29 L30 | P27-P29 WeakPolarHBondContact O-CD 3.26Å; P27-L30 PolarHBondContact O-N 2.85Å | ||
| 28 | E | 63.6 | Low | 56.2 | Low | 151 Ų | 151 | 118.1 Ų | 118.1 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -36.3 | -33.7 | 178.3 | -67 | -70.7 | 114.1 | 0 | 0 | 116.8 | L26 L30 L31 S32 | L26-E28 PolarHBondContact O-N 3.28Å; E28-L30 VanDerWaalsContact C-N 3.34Å; E28-L30 PolarHBondContact O-N 3.49Å; E28-L31 PolarHBondContact O-N 3.42Å; E28-S32 PolarHBondContact O-N 2.94Å; E28-S32 PolarHBondContact O-OG 3.3Å |
| 29 | P | 62.1 | Low | 56.6 | Low | 73 Ų | 73 | 113.2 Ų | 113.2 | 47% | 0.474 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -61.6 | -37.7 | 177.4 | -22.7 | 34.7 | 0 | 0 | 0 | 113.3 | P27 S32 F33 | P27-P29 WeakPolarHBondContact O-CD 3.26Å; P29-S32 WeakPolarHBondContact CA-OG 3.49Å; P29-S32 PolarHBondContact O-N 3.1Å; P29-S32 PolarHBondContact O-OG 3.41Å; P29-F33 WeakPolarHBondContact O-CB 3.47Å; P29-F33 VanDerWaalsContact O-CD2 3.23Å; P29-F33 WeakPolarHBondContact O-CD2 3.26Å; P29-F33 PolarHBondContact O-N 3.45Å |
| 30 | L | 54.7 | Low | 56.4 | Low | 106 Ų | 106 | 117.7 Ų | 117.7 | 56% | 0.555 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -75.4 | -31.8 | -177.8 | -69.7 | -159 | 0 | 0 | 0 | 112.8 | P27 E28 L34 | P27-L30 PolarHBondContact O-N 2.85Å; E28-L30 VanDerWaalsContact C-N 3.34Å; E28-L30 PolarHBondContact O-N 3.49Å; L30-L34 PolarHBondContact O-N 3.36Å; L30-L34 VanDerWaalsContact O-N 3.11Å |
| 31 | L | 59.9 | Low | 56.1 | Low | 100 Ų | 100 | 116.3 Ų | 116.3 | 52% | 0.524 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -67 | -38.5 | 170.6 | -91.6 | -174.6 | 0 | 0 | 0 | 111.7 | E28 K35 | E28-L31 PolarHBondContact O-N 3.42Å; L31-K35 WeakPolarHBondContact O-CB 3.19Å; L31-K35 PolarHBondContact O-N 3.42Å |
| 32 | S | 64 | Low | 55.4 | Low | 66 Ų | 66 | 112.2 Ų | 112.2 | 46% | 0.462 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -71.5 | -35.5 | 177.9 | 66.4 | 0 | 0 | 0 | 0 | 112.9 | E28 P29 K35 S36 | E28-S32 PolarHBondContact O-N 2.94Å; E28-S32 PolarHBondContact O-OG 3.3Å; P29-S32 WeakPolarHBondContact CA-OG 3.49Å; P29-S32 PolarHBondContact O-N 3.1Å; P29-S32 PolarHBondContact O-OG 3.41Å; S32-K35 PolarHBondContact O-N 3.44Å; S32-S36 WeakPolarHBondContact O-CB 3.19Å; S32-S36 PolarHBondContact O-N 2.83Å |
| 33 | F | 66.1 | Low | 55 | Low | 154 Ų | 154 | 114.4 Ų | 114.4 | 68% | 0.675 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -66.3 | -40.9 | 173.6 | -92.3 | -76.6 | 0 | 0 | 0 | 113 | P29 S36 S37 | P29-F33 WeakPolarHBondContact O-CB 3.47Å; P29-F33 VanDerWaalsContact O-CD2 3.23Å; P29-F33 WeakPolarHBondContact O-CD2 3.26Å; P29-F33 PolarHBondContact O-N 3.45Å; F33-S36 PolarHBondContact O-N 3.09Å; F33-S37 PolarHBondContact O-N 2.98Å |
| 34 | L | 63.5 | Low | 54.2 | Low | 126 Ų | 126 | 115.3 Ų | 115.3 | 66% | 0.66 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.8 | -35.3 | 173.9 | -85.5 | 165 | 0 | 0 | 0 | 112.4 | L30 S37 | L30-L34 PolarHBondContact O-N 3.36Å; L30-L34 VanDerWaalsContact O-N 3.11Å; L34-S37 PolarHBondContact O-N 2.85Å |
| 35 | K | 65.6 | Low | 53.1 | Low | 162 Ų | 162 | 116.4 Ų | 116.4 | 70% | 0.704 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -69 | -34.1 | 175.5 | -170.8 | 168.3 | -176.4 | 176.4 | 0 | 112.5 | L31 S32 S37 N38 | L31-K35 WeakPolarHBondContact O-CB 3.19Å; L31-K35 PolarHBondContact O-N 3.42Å; S32-K35 PolarHBondContact O-N 3.44Å; K35-S37 VanDerWaalsContact C-N 3.29Å; K35-S37 PolarHBondContact O-N 3.27Å; K35-N38 PolarHBondContact O-N 2.9Å |
| 36 | S | 59.1 | Low | 51.7 | Low | 95 Ų | 95 | 115.3 Ų | 115.3 | 66% | 0.664 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -70.9 | -21.1 | 177 | -171.2 | 0 | 0 | 0 | 0 | 113.7 | S32 F33 | S32-S36 WeakPolarHBondContact O-CB 3.19Å; S32-S36 PolarHBondContact O-N 2.83Å; F33-S36 PolarHBondContact O-N 3.09Å |
| 37 | S | 57.9 | Low | 50.8 | Low | 106 Ų | 106 | 118.6 Ų | 118.6 | 74% | 0.741 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -6.1 | -179.6 | -164.5 | 0 | 0 | 0 | 0 | 113.6 | F33 L34 K35 | F33-S37 PolarHBondContact O-N 2.98Å; L34-S37 PolarHBondContact O-N 2.85Å; K35-S37 VanDerWaalsContact C-N 3.29Å; K35-S37 PolarHBondContact O-N 3.27Å |
| 38 | N | 54.1 | Low | 49.3 | Very low | 151 Ų | 151 | 124 Ų | 124 | 81% | 0.807 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | -1.6 | -172 | -122 | -30.6 | 0 | 0 | 0 | 114 | K35 | K35-N38 PolarHBondContact O-N 2.9Š|
| 39 | A | 52.9 | Low | 48 | Very low | 58 Ų | 58 | 121.6 Ų | 121.6 | 48% | 0.479 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -106.1 | 113.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 40 | D | 40.3 | Very low | 47 | Very low | 163 Ų | 163 | 123.6 Ų | 123.6 | 87% | 0.872 | 70% | 0.697 | S | S | * | * | trans | 62.3 | 111.2 | 149.5 | -59 | -31.3 | 0 | 0 | 0 | 117.7 | ||||
| 41 | G | 38.6 | Very low | 46.8 | Very low | 75 Ų | 75 | 122.4 Ų | 122.4 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | cis | 79.5 | 61.9 | 27.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 42 | S | 35.3 | Very low | 46.2 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 68% | 0.678 | 70% | 0.701 | S | S | * | * | trans | -171.2 | 118.5 | 154.2 | -149.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 43 | Q | 36.6 | Very low | 45.5 | Very low | 162 Ų | 162 | 123.7 Ų | 123.7 | 76% | 0.757 | 70% | 0.704 | S | S | * | * | trans | 68 | 122.7 | 139.4 | -65.8 | 178.2 | 17.6 | 0 | 0 | 121.8 | ||||
| 44 | N | 32.6 | Very low | 44.9 | Very low | 144 Ų | 144 | 122 Ų | 122 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | trans | 85.8 | 104 | 138.9 | -66.8 | -15.2 | 0 | 0 | 0 | 120.5 | ||||
| 45 | S | 33.8 | Very low | 44.2 | Very low | 104 Ų | 104 | 121.9 Ų | 121.9 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | 63 | 106.4 | 123.9 | -119.2 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 46 | T | 29.8 | Very low | 43.7 | Very low | 121 Ų | 121 | 120.6 Ų | 120.6 | 74% | 0.742 | 69% | 0.693 | S | S | * | * | trans | 64.3 | 78.4 | 132.1 | -41.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 47 | K | 31.8 | Very low | 43.5 | Very low | 193 Ų | 193 | 119.7 Ų | 119.7 | 84% | 0.839 | 68% | 0.684 | S | S | * | * | trans | -179.3 | 39 | 154.4 | -98.9 | 155.2 | -167.2 | -176.5 | 0 | 113.8 | S49 | K47-S49 PolarHBondContact O-N 3.12Š| ||
| 48 | E | 33.7 | Very low | 43.5 | Very low | 196 Ų | 196 | 120.9 Ų | 120.9 | 92% | 0.916 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 85.7 | 175.3 | -76.2 | -173.7 | 113.2 | 0 | 0 | 111.5 | ||
| 49 | S | 35.5 | Very low | 43.7 | Very low | 102 Ų | 102 | 115.3 Ų | 115.3 | 71% | 0.713 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.8 | 2.8 | 157.9 | -164.3 | 0 | 0 | 0 | 0 | 114 | K47 | K47-S49 PolarHBondContact O-N 3.12Š|
| 50 | I | 42.3 | Very low | 44.1 | Very low | 114 Ų | 114 | 118.5 Ų | 118.5 | 59% | 0.585 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -105.3 | -22.9 | -173.4 | -63.7 | 177.2 | 0 | 0 | 0 | 112.4 | T53 | I50-T53 PolarHBondContact O-OG1 3.06Š|
| 51 | T | 49.6 | Very low | 45 | Very low | 82 Ų | 82 | 115.3 Ų | 115.3 | 50% | 0.503 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -82.6 | -27.8 | -173.1 | 26.3 | 0 | 0 | 0 | 0 | 115.1 | T53 E54 I55 | T51-T53 PolarHBondContact O-N 3.05Å; T51-E54 PolarHBondContact O-N 2.85Å; T51-I55 WeakPolarHBondContact O-CG1 3.35Å; T51-I55 PolarHBondContact O-N 3.26Å |
| 52 | T | 47.2 | Very low | 46.1 | Very low | 107 Ų | 107 | 114.7 Ų | 114.7 | 66% | 0.656 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -69 | -34.9 | 179.1 | -44.2 | 0 | 0 | 0 | 0 | 112.1 | E56 | T52-E56 WeakPolarHBondContact O-CB 3.34Å; T52-E56 PolarHBondContact O-N 3.39Å |
| 53 | T | 49.9 | Very low | 47.4 | Very low | 85 Ų | 85 | 112.7 Ų | 112.7 | 52% | 0.521 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -72.1 | -32.3 | 176.2 | 39.6 | 0 | 0 | 0 | 0 | 112.9 | I50 T51 T57 | I50-T53 PolarHBondContact O-OG1 3.06Å; T51-T53 PolarHBondContact O-N 3.05Å; T53-T57 VanDerWaalsContact O-CB 3.24Å; T53-T57 WeakPolarHBondContact O-CB 3.5Å; T53-T57 WeakPolarHBondContact O-CG2 3.29Å; T53-T57 PolarHBondContact O-N 2.86Å; T53-T57 PolarHBondContact O-OG1 3.05Å |
| 54 | E | 52.4 | Low | 48.4 | Very low | 120 Ų | 120 | 109.1 Ų | 109.1 | 56% | 0.561 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -74 | -39.4 | 178.3 | -68 | -168.6 | 126.4 | 0 | 0 | 111.7 | T51 T57 Q58 | T51-E54 PolarHBondContact O-N 2.85Å; E54-T57 WeakPolarHBondContact CA-OG1 3.2Å; E54-T57 PolarHBondContact O-OG1 3.49Å; E54-Q58 VanDerWaalsContact O-CB 3.22Å; E54-Q58 WeakPolarHBondContact O-CB 3.04Å; E54-Q58 PolarHBondContact O-N 3.3Å |
| 55 | I | 48.9 | Very low | 49.8 | Very low | 122 Ų | 122 | 107.1 Ų | 107.1 | 63% | 0.626 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -70.6 | -39.3 | 176.7 | -61.9 | 173.6 | 0 | 0 | 0 | 111 | T51 Q58 G59 | T51-I55 WeakPolarHBondContact O-CG1 3.35Å; T51-I55 PolarHBondContact O-N 3.26Å; I55-Q58 PolarHBondContact O-N 2.87Å; I55-G59 PolarHBondContact O-N 3.08Å |
| 56 | E | 55.4 | Low | 51 | Low | 135 Ų | 135 | 110.9 Ų | 110.9 | 63% | 0.631 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69 | -41.7 | 175.3 | -159.8 | -164.6 | 123.3 | 0 | 0 | 111.5 | T52 Q58 G59 R60 | T52-E56 WeakPolarHBondContact O-CB 3.34Å; T52-E56 PolarHBondContact O-N 3.39Å; E56-Q58 PolarHBondContact O-N 2.88Å; E56-G59 PolarHBondContact O-N 3.11Å; E56-R60 WeakPolarHBondContact O-CB 3.32Å; E56-R60 PolarHBondContact O-N 3.4Å |
| 57 | T | 56 | Low | 52.5 | Low | 77 Ų | 77 | 110.3 Ų | 110.3 | 47% | 0.472 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.4 | -39.7 | 175.3 | 53.4 | 0 | 0 | 0 | 0 | 111.4 | T53 E54 R60 L61 | T53-T57 VanDerWaalsContact O-CB 3.24Å; T53-T57 WeakPolarHBondContact O-CB 3.5Å; T53-T57 WeakPolarHBondContact O-CG2 3.29Å; T53-T57 PolarHBondContact O-N 2.86Å; T53-T57 PolarHBondContact O-OG1 3.05Å; E54-T57 WeakPolarHBondContact CA-OG1 3.2Å; E54-T57 PolarHBondContact O-OG1 3.49Å; T57-R60 PolarHBondContact O-N 2.91Å; T57-L61 WeakPolarHBondContact O-CB 3.47Å; T57-L61 WeakPolarHBondContact O-CG 3.5Å; T57-L61 PolarHBondContact O-N 3.24Å |
| 58 | Q | 56 | Low | 53.7 | Low | 130 Ų | 130 | 101.6 Ų | 101.6 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.5 | -43 | 176.6 | -156.8 | -160.5 | -28.1 | 0 | 0 | 111.8 | E54 I55 E56 R60 L61 T62 | E54-Q58 VanDerWaalsContact O-CB 3.22Å; E54-Q58 WeakPolarHBondContact O-CB 3.04Å; E54-Q58 PolarHBondContact O-N 3.3Å; I55-Q58 PolarHBondContact O-N 2.87Å; E56-Q58 PolarHBondContact O-N 2.88Å; Q58-R60 VanDerWaalsContact C-N 3.31Å; Q58-R60 PolarHBondContact O-N 3.44Å; Q58-L61 PolarHBondContact O-N 3.25Å; Q58-T62 WeakPolarHBondContact O-CG2 3.19Å; Q58-T62 PolarHBondContact O-N 3.25Å; Q58-T62 PolarHBondContact O-OG1 3.34Å |
| 59 | G | 59.8 | Low | 54.8 | Low | 35 Ų | 35 | 96 Ų | 96 | 36% | 0.361 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -35 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | I55 E56 T62 S63 | I55-G59 PolarHBondContact O-N 3.08Å; E56-G59 PolarHBondContact O-N 3.11Å; G59-T62 WeakPolarHBondContact CA-OG1 3.5Å; G59-T62 PolarHBondContact O-OG1 3.45Å; G59-S63 WeakPolarHBondContact O-CB 3.45Å; G59-S63 PolarHBondContact O-N 3.4Å; G59-S63 PolarHBondContact O-OG 3.27Å |
| 60 | R | 61.7 | Low | 55.8 | Low | 125 Ų | 125 | 94.4 Ų | 94.4 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.8 | -43.4 | 172.9 | -158.7 | 178.7 | 107.6 | 155.6 | 7.5 | 110.8 | E56 T57 Q58 T62 S63 W64 | E56-R60 WeakPolarHBondContact O-CB 3.32Å; E56-R60 PolarHBondContact O-N 3.4Å; T57-R60 PolarHBondContact O-N 2.91Å; Q58-R60 VanDerWaalsContact C-N 3.31Å; Q58-R60 PolarHBondContact O-N 3.44Å; R60-T62 PolarHBondContact O-N 3.2Å; R60-S63 WeakPolarHBondContact CA-OG 3.49Å; R60-S63 PolarHBondContact O-N 2.89Å; R60-S63 PolarHBondContact O-OG 2.97Å; R60-W64 WeakPolarHBondContact O-CB 3.46Å; R60-W64 PolarHBondContact O-N 3.37Å |
| 61 | L | 57.9 | Low | 56.4 | Low | 96 Ų | 96 | 90.5 Ų | 90.5 | 50% | 0.503 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 174.4 | -72 | 169.4 | 0 | 0 | 0 | 111.7 | T57 Q58 W64 F65 | T57-L61 WeakPolarHBondContact O-CB 3.47Å; T57-L61 WeakPolarHBondContact O-CG 3.5Å; T57-L61 PolarHBondContact O-N 3.24Å; Q58-L61 PolarHBondContact O-N 3.25Å; L61-W64 WeakPolarHBondContact O-CB 3.24Å; L61-W64 PolarHBondContact O-N 3.44Å; L61-F65 HydrophobicContact CB-CE2 4.35Å; L61-F65 WeakPolarHBondContact O-CD2 3.27Å; L61-F65 PolarHBondContact O-N 3.04Å |
| 62 | T | 61.1 | Low | 56.7 | Low | 62 Ų | 62 | 92.5 Ų | 92.5 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 178.2 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | Q58 G59 R60 W64 F65 Y66 | Q58-T62 WeakPolarHBondContact O-CG2 3.19Å; Q58-T62 PolarHBondContact O-N 3.25Å; Q58-T62 PolarHBondContact O-OG1 3.34Å; G59-T62 WeakPolarHBondContact CA-OG1 3.5Å; G59-T62 PolarHBondContact O-OG1 3.45Å; R60-T62 PolarHBondContact O-N 3.2Å; T62-W64 VanDerWaalsContact C-N 3.27Å; T62-W64 PolarHBondContact O-N 3.02Å; T62-F65 PolarHBondContact O-N 3.47Å; T62-F65 VanDerWaalsContact O-N 3.12Å; T62-Y66 WeakPolarHBondContact O-CD2 3.48Å; T62-Y66 PolarHBondContact O-N 3.27Å |
| 63 | S | 62.5 | Low | 57 | Low | 55 Ų | 55 | 94.9 Ų | 94.9 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.7 | -35.8 | 174.1 | 58.5 | 0 | 0 | 0 | 0 | 112.5 | G59 R60 F65 Y66 Q67 | G59-S63 WeakPolarHBondContact O-CB 3.45Å; G59-S63 PolarHBondContact O-N 3.4Å; G59-S63 PolarHBondContact O-OG 3.27Å; R60-S63 WeakPolarHBondContact CA-OG 3.49Å; R60-S63 PolarHBondContact O-N 2.89Å; R60-S63 PolarHBondContact O-OG 2.97Å; S63-F65 VanDerWaalsContact C-N 3.34Å; S63-F65 PolarHBondContact O-N 3.26Å; S63-Y66 PolarHBondContact O-N 3.22Å; S63-Q67 VanDerWaalsContact O-CB 3.31Å; S63-Q67 WeakPolarHBondContact O-CB 3.22Å; S63-Q67 PolarHBondContact O-N 3.27Å |
| 64 | W | 57.9 | Low | 57 | Low | 86 Ų | 86 | 93.9 Ų | 93.9 | 33% | 0.326 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.4 | -36.6 | 175.3 | -72.5 | 30 | 0 | 0 | 0 | 112 | R60 L61 T62 A68 L136 | R60-W64 WeakPolarHBondContact O-CB 3.46Å; R60-W64 PolarHBondContact O-N 3.37Å; L61-W64 WeakPolarHBondContact O-CB 3.24Å; L61-W64 PolarHBondContact O-N 3.44Å; T62-W64 VanDerWaalsContact C-N 3.27Å; T62-W64 PolarHBondContact O-N 3.02Å; W64-A68 PolarHBondContact O-N 3.35Å; W64-L136 HydrophobicContact CE3-CD2 3.4Å; W64-L136 HydrophobicContact CE3-CG 4.33Å; W64-L136 HydrophobicContact CZ3-CD2 3.47Å; W64-L136 VanDerWaalsContact CZ3-CD2 3.47Å |
| 65 | F | 62.3 | Low | 56.9 | Low | 103 Ų | 103 | 93.7 Ų | 93.7 | 45% | 0.452 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.9 | -39 | 173.1 | -69.2 | -63.9 | 0 | 0 | 0 | 112.8 | L61 T62 S63 A68 D69 L135 | L61-F65 HydrophobicContact CB-CE2 4.35Å; L61-F65 WeakPolarHBondContact O-CD2 3.27Å; L61-F65 PolarHBondContact O-N 3.04Å; T62-F65 PolarHBondContact O-N 3.47Å; T62-F65 VanDerWaalsContact O-N 3.12Å; S63-F65 VanDerWaalsContact C-N 3.34Å; S63-F65 PolarHBondContact O-N 3.26Å; F65-A68 PolarHBondContact O-N 3.31Å; F65-D69 PolarHBondContact O-N 3.24Å; F65-L135 HydrophobicContact CE1-CD2 3.7Å; F65-L135 HydrophobicContact CE1-CG 4.17Å; F65-L135 HydrophobicContact CZ-CD2 3.93Å |
| 66 | Y | 60.2 | Low | 57 | Low | 183 Ų | 183 | 98.4 Ų | 98.4 | 72% | 0.718 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.8 | -39.4 | 175 | -89.4 | -85.6 | 0 | 0 | 0 | 112.1 | T62 S63 A68 D69 A70 | T62-Y66 WeakPolarHBondContact O-CD2 3.48Å; T62-Y66 PolarHBondContact O-N 3.27Å; S63-Y66 PolarHBondContact O-N 3.22Å; Y66-A68 VanDerWaalsContact C-N 3.28Å; Y66-A68 PolarHBondContact O-N 3.28Å; Y66-D69 PolarHBondContact O-N 2.94Å; Y66-A70 PolarHBondContact O-N 2.85Å |
| 67 | Q | 59.6 | Low | 56.9 | Low | 109 Ų | 109 | 95.6 Ų | 95.6 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -34.4 | 176.4 | -162.5 | 85.3 | 43 | 0 | 0 | 111.6 | S63 D69 A70 N140 | S63-Q67 VanDerWaalsContact O-CB 3.31Å; S63-Q67 WeakPolarHBondContact O-CB 3.22Å; S63-Q67 PolarHBondContact O-N 3.27Å; Q67-D69 VanDerWaalsContact C-N 3.29Å; Q67-D69 PolarHBondContact O-N 3.49Å; Q67-A70 PolarHBondContact O-N 3.33Å; Q67-N140 VanDerWaalsContact CG-CG 3.44Å; Q67-N140 WeakPolarHBondContact CG-ND2 3.43Å; Q67-N140 VanDerWaalsContact CG-OD1 3.3Å; Q67-N140 WeakPolarHBondContact CG-OD1 3.33Å |
| 68 | A | 57.5 | Low | 56.7 | Low | 10 Ų | 10 | 96.8 Ų | 96.8 | 8% | 0.083 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -69.4 | -22.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | W64 F65 Y66 L136 | W64-A68 PolarHBondContact O-N 3.35Å; F65-A68 PolarHBondContact O-N 3.31Å; Y66-A68 VanDerWaalsContact C-N 3.28Å; Y66-A68 PolarHBondContact O-N 3.28Å; A68-L136 VanDerWaalsContact CB-O 3.25Å; A68-L136 WeakPolarHBondContact CB-O 3.07Å |
| 69 | D | 57.3 | Low | 57.2 | Low | 79 Ų | 79 | 94 Ų | 94 | 42% | 0.422 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -86.3 | -18 | 176 | -138.4 | -70.6 | 0 | 0 | 0 | 111.4 | F65 Y66 Q67 R80 | F65-D69 PolarHBondContact O-N 3.24Å; Y66-D69 PolarHBondContact O-N 2.94Å; Q67-D69 VanDerWaalsContact C-N 3.29Å; Q67-D69 PolarHBondContact O-N 3.49Å; D69-R80 IonicContact OD1-NH2 3.94Å; D69-R80 IonicContact OD2-CZ 3.23Å; D69-R80 VanDerWaalsContact OD2-CZ 3.23Å; D69-R80 IonicContact OD2-NE 2.93Å; D69-R80 PolarHBondContact OD2-NE 3.08Å; D69-R80 IonicContact OD2-NH2 2.73Å; D69-R80 PolarHBondContact OD2-NH2 3.3Å |
| 70 | A | 55.8 | Low | 57.4 | Low | 68 Ų | 68 | 100.9 Ų | 100.9 | 56% | 0.562 | 53% | 0.529 | S | S | * | . | trans | -90.1 | 4.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y66 Q67 P72 | Y66-A70 PolarHBondContact O-N 2.85Å; Q67-A70 PolarHBondContact O-N 3.33Å; A70-P72 VanDerWaalsContact O-CD 3.31Å; A70-P72 WeakPolarHBondContact O-CD 3.43Å | ||
| 71 | D | 55.4 | Low | 57.8 | Low | 32 Ų | 32 | 101.4 Ų | 101.4 | 17% | 0.171 | 54% | 0.537 | C | S | . | . | trans | -74.3 | 117.6 | -174.3 | -81.5 | -32.3 | 0 | 0 | 0 | 113 | L73 M74 C139 N140 | D71-L73 VanDerWaalsContact C-N 3.27Å; D71-L73 PolarHBondContact O-N 3.02Å; D71-L73 VanDerWaalsContact O-N 3.14Å; D71-M74 HydrophobicContact CB-SD 4.18Å; D71-M74 PolarHBondContact O-N 3.05Å; D71-C139 WeakPolarHBondContact OD2-CB 3.49Å; D71-N140 PolarHBondContact OD2-N 2.82Å | ||
| 72 | P | 55.1 | Low | 58.8 | Low | 124 Ų | 124 | 101.8 Ų | 101.8 | 81% | 0.805 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | 4.4 | -170.8 | 29.1 | -34.7 | 0 | 0 | 0 | 116.1 | A70 | A70-P72 VanDerWaalsContact O-CD 3.31Å; A70-P72 WeakPolarHBondContact O-CD 3.43Å |
| 73 | L | 54.4 | Low | 59.3 | Low | 157 Ų | 157 | 102.1 Ų | 102.1 | 82% | 0.822 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 7 | 173.3 | -68.9 | 177.7 | 0 | 0 | 0 | 113.2 | D71 P75 | D71-L73 VanDerWaalsContact C-N 3.27Å; D71-L73 PolarHBondContact O-N 3.02Å; D71-L73 VanDerWaalsContact O-N 3.14Å; L73-P75 WeakPolarHBondContact O-CD 3.19Å |
| 74 | M | 49.7 | Very low | 60.2 | Low | 63 Ų | 63 | 102.7 Ų | 102.7 | 31% | 0.31 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -84.4 | 124.9 | 177.3 | -76.5 | 173.1 | 33.7 | 0 | 0 | 111.6 | D71 K76 R83 | D71-M74 HydrophobicContact CB-SD 4.18Å; D71-M74 PolarHBondContact O-N 3.05Å; M74-K76 PolarHBondContact O-N 3.11Å; M74-R83 VanDerWaalsContact SD-CZ 3.51Å; M74-R83 PolarHBondContact SD-NH1 3.26Å; M74-R83 PolarHBondContact SD-NH2 3.25Å |
| 75 | P | 50.4 | Low | 61.6 | Low | 117 Ų | 117 | 104.4 Ų | 104.4 | 76% | 0.76 | 54% | 0.541 | S | S | * | . | trans | -54.3 | 124.6 | 161.9 | -19.4 | 30.8 | 0 | 0 | 0 | 109.2 | L73 G77 | L73-P75 WeakPolarHBondContact O-CD 3.19Å; P75-G77 PolarHBondContact O-N 3.2Å | ||
| 76 | K | 50.6 | Low | 62.7 | Low | 220 Ų | 220 | 100.5 Ų | 100.5 | 96% | 0.957 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 60.5 | -173.7 | -159.3 | 175.5 | -173.9 | 168.1 | 0 | 112.5 | M74 | M74-K76 PolarHBondContact O-N 3.11Š|
| 77 | G | 53.5 | Low | 64 | Low | 77 Ų | 77 | 92.8 Ų | 92.8 | 79% | 0.794 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -175.1 | 7.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | P75 | P75-G77 PolarHBondContact O-N 3.2Š|
| 78 | M | 51.8 | Low | 65.5 | Low | 102 Ų | 102 | 93.2 Ų | 93.2 | 50% | 0.502 | 50% | 0.501 | S | S | . | . | trans | -104.3 | 119 | 177.5 | -158.7 | -162.5 | -96.6 | 0 | 0 | 111.6 | Q82 | M78-Q82 VanDerWaalsContact CE-CD 3.49Å; M78-Q82 HydrophobicContact CE-CG 4.27Å; M78-Q82 HydrophobicContact CG-CB 3.86Å; M78-Q82 VanDerWaalsContact CG-CD 3.47Å; M78-Q82 HydrophobicContact CG-CG 4.03Å; M78-Q82 HydrophobicContact SD-CB 3.8Å; M78-Q82 HydrophobicContact SD-CG 3.53Å; M78-Q82 VanDerWaalsContact SD-CG 3.53Å | ||
| 79 | S | 67.6 | Low | 67.1 | Low | 71 Ų | 71 | 97.7 Ų | 97.7 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | trans | -50.6 | 136.9 | -177.8 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | Q81 Q82 | S79-Q81 PolarHBondContact O-N 2.75Å; S79-Q81 WeakPolarHBondContact OG-CB 3.29Å; S79-Q81 PolarHBondContact OG-N 3.42Å; S79-Q82 WeakPolarHBondContact O-CB 3.23Å; S79-Q82 PolarHBondContact O-N 3.4Å | ||
| 80 | R | 63.2 | Low | 68.7 | Low | 180 Ų | 180 | 95.2 Ų | 95.2 | 68% | 0.679 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -47.2 | -30.1 | 170.9 | -69.5 | -178.7 | 174.9 | 168.3 | -0.1 | 111.9 | D69 R83 L84 | D69-R80 IonicContact OD1-NH2 3.94Å; D69-R80 IonicContact OD2-CZ 3.23Å; D69-R80 VanDerWaalsContact OD2-CZ 3.23Å; D69-R80 IonicContact OD2-NE 2.93Å; D69-R80 PolarHBondContact OD2-NE 3.08Å; D69-R80 IonicContact OD2-NH2 2.73Å; D69-R80 PolarHBondContact OD2-NH2 3.3Å; R80-R83 PolarHBondContact O-N 2.97Å; R80-L84 WeakPolarHBondContact O-CB 3.42Å; R80-L84 PolarHBondContact O-N 3.5Å |
| 81 | Q | 70 | Confident | 70.4 | Confident | 135 Ų | 135 | 94.5 Ų | 94.5 | 63% | 0.631 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.3 | -39.5 | 175 | -65.5 | -72.4 | -43.5 | 0 | 0 | 113.4 | S79 R83 L84 M85 | S79-Q81 PolarHBondContact O-N 2.75Å; S79-Q81 WeakPolarHBondContact OG-CB 3.29Å; S79-Q81 PolarHBondContact OG-N 3.42Å; Q81-R83 VanDerWaalsContact C-N 3.31Å; Q81-R83 PolarHBondContact O-N 3.13Å; Q81-L84 PolarHBondContact O-N 2.85Å; Q81-M85 WeakPolarHBondContact O-CB 3.26Å; Q81-M85 PolarHBondContact O-N 2.93Å |
| 82 | Q | 77.9 | Confident | 72.3 | Confident | 104 Ų | 104 | 98 Ų | 98 | 49% | 0.486 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.5 | -31.9 | -179.7 | -168.6 | 167.9 | -13.3 | 0 | 0 | 111.6 | M78 S79 G86 | M78-Q82 VanDerWaalsContact CE-CD 3.49Å; M78-Q82 HydrophobicContact CE-CG 4.27Å; M78-Q82 HydrophobicContact CG-CB 3.86Å; M78-Q82 VanDerWaalsContact CG-CD 3.47Å; M78-Q82 HydrophobicContact CG-CG 4.03Å; M78-Q82 HydrophobicContact SD-CB 3.8Å; M78-Q82 HydrophobicContact SD-CG 3.53Å; M78-Q82 VanDerWaalsContact SD-CG 3.53Å; S79-Q82 WeakPolarHBondContact O-CB 3.23Å; S79-Q82 PolarHBondContact O-N 3.4Å; Q82-G86 PolarHBondContact O-N 2.84Å |
| 83 | R | 72.7 | Confident | 74.1 | Confident | 70 Ų | 70 | 94.8 Ų | 94.8 | 26% | 0.264 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.2 | -43.8 | 170.2 | -64.1 | 178.7 | 177.3 | -153.4 | -14.5 | 111.4 | M74 R80 Q81 M85 G86 F87 F134 | M74-R83 VanDerWaalsContact SD-CZ 3.51Å; M74-R83 PolarHBondContact SD-NH1 3.26Å; M74-R83 PolarHBondContact SD-NH2 3.25Å; R80-R83 PolarHBondContact O-N 2.97Å; Q81-R83 VanDerWaalsContact C-N 3.31Å; Q81-R83 PolarHBondContact O-N 3.13Å; R83-M85 VanDerWaalsContact C-N 3.27Å; R83-M85 PolarHBondContact O-N 3.16Å; R83-G86 PolarHBondContact O-N 3.43Å; R83-F87 PolarHBondContact O-N 2.86Å; R83-F134 VanDerWaalsContact CA-CE1 3.43Å; R83-F134 HydrophobicContact CB-CE1 4.15Å; R83-F134 WeakPolarHBondContact O-CD1 3.29Å; R83-F134 WeakPolarHBondContact O-CE1 3.41Å |
| 84 | L | 81.9 | Confident | 76 | Confident | 67 Ų | 67 | 87.3 Ų | 87.3 | 35% | 0.351 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.7 | -33.7 | 177.5 | -168.1 | 60.8 | 0 | 0 | 0 | 111.9 | R80 Q81 F87 F88 | R80-L84 WeakPolarHBondContact O-CB 3.42Å; R80-L84 PolarHBondContact O-N 3.5Å; Q81-L84 PolarHBondContact O-N 2.85Å; L84-F87 HydrophobicContact CD1-CD1 3.93Å; L84-F87 WeakPolarHBondContact O-CB 2.93Å; L84-F87 PolarHBondContact O-N 2.89Å; L84-F88 HydrophobicContact CD1-CD2 4.1Å; L84-F88 HydrophobicContact CD1-CE2 3.65Å; L84-F88 HydrophobicContact CD1-CZ 4.29Å; L84-F88 HydrophobicContact CD2-CE2 3.85Å; L84-F88 HydrophobicContact CG-CD2 3.76Å; L84-F88 HydrophobicContact CG-CE2 3.44Å; L84-F88 VanDerWaalsContact CG-CE2 3.44Å; L84-F88 HydrophobicContact CG-CZ 4.47Å; L84-F88 WeakPolarHBondContact O-CD2 3.37Å; L84-F88 PolarHBondContact O-N 2.93Å |
| 85 | M | 85.9 | Confident | 78.1 | Confident | 121 Ų | 121 | 87.6 Ų | 87.6 | 60% | 0.596 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.6 | -45.5 | 174.2 | -168 | -173.5 | -168.5 | 0 | 0 | 111.6 | Q81 R83 F87 F88 L89 | Q81-M85 WeakPolarHBondContact O-CB 3.26Å; Q81-M85 PolarHBondContact O-N 2.93Å; R83-M85 VanDerWaalsContact C-N 3.27Å; R83-M85 PolarHBondContact O-N 3.16Å; M85-F87 VanDerWaalsContact C-N 3.32Å; M85-F87 PolarHBondContact O-N 2.79Å; M85-F88 PolarHBondContact O-N 3.44Å; M85-L89 HydrophobicContact CE-CD1 4.43Å; M85-L89 HydrophobicContact CG-CD1 4.02Å; M85-L89 HydrophobicContact CG-CG 4.42Å; M85-L89 WeakPolarHBondContact O-CB 3.48Å; M85-L89 VanDerWaalsContact O-CG 3.26Å; M85-L89 WeakPolarHBondContact O-CG 2.82Å; M85-L89 PolarHBondContact O-N 3.32Å |
| 86 | G | 85.5 | Confident | 80.2 | Confident | 22 Ų | 22 | 86.9 Ų | 86.9 | 23% | 0.227 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q82 R83 C90 | Q82-G86 PolarHBondContact O-N 2.84Å; R83-G86 PolarHBondContact O-N 3.43Å; G86-C90 WeakPolarHBondContact O-CB 3.31Å; G86-C90 PolarHBondContact O-N 3.29Å |
| 87 | F | 87.2 | Confident | 82.2 | Confident | 21 Ų | 21 | 77 Ų | 77 | 9% | 0.092 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -58.5 | -52.6 | 172.3 | 168.1 | -105.4 | 0 | 0 | 0 | 111 | R83 L84 M85 C90 L91 S131 F134 L135 | R83-F87 PolarHBondContact O-N 2.86Å; L84-F87 HydrophobicContact CD1-CD1 3.93Å; L84-F87 WeakPolarHBondContact O-CB 2.93Å; L84-F87 PolarHBondContact O-N 2.89Å; M85-F87 VanDerWaalsContact C-N 3.32Å; M85-F87 PolarHBondContact O-N 2.79Å; F87-C90 PolarHBondContact O-N 3.26Å; F87-L91 HydrophobicContact CE1-CD2 3.96Å; F87-L91 HydrophobicContact CZ-CD1 4.46Å; F87-L91 HydrophobicContact CZ-CD2 3.88Å; F87-L91 WeakPolarHBondContact O-CB 3.45Å; F87-L91 PolarHBondContact O-N 3.48Å; F87-S131 VanDerWaalsContact CD2-O 3.22Å; F87-S131 WeakPolarHBondContact CD2-O 3.46Å; F87-S131 WeakPolarHBondContact CD2-OG 3.24Å; F87-S131 WeakPolarHBondContact CE2-OG 3.37Å; F87-S131 PolarHBondContact O-OG 2.81Å; F87-S131 VanDerWaalsContact O-OG 3.07Å; F87-F134 HydrophobicContact CB-CD1 4.26Å; F87-F134 VanDerWaalsContact N-CD1 3.34Å; F87-L135 HydrophobicContact CD1-CD1 3.7Å; F87-L135 HydrophobicContact CD2-CB 3.66Å; F87-L135 HydrophobicContact CD2-CD1 3.72Å; F87-L135 HydrophobicContact CD2-CG 4.32Å; F87-L135 HydrophobicContact CE1-CD1 3.56Å; F87-L135 HydrophobicContact CE2-CB 3.86Å; F87-L135 HydrophobicContact CE2-CD1 3.59Å; F87-L135 HydrophobicContact CE2-CG 4.29Å; F87-L135 HydrophobicContact CG-CB 4.27Å; F87-L135 HydrophobicContact CG-CD1 3.77Å; F87-L135 HydrophobicContact CZ-CD1 3.52Å |
| 88 | F | 90.9 | Very high | 83.9 | Confident | 117 Ų | 117 | 75.7 Ų | 75.7 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.1 | -39.7 | -179.3 | -78.2 | -60.2 | 0 | 0 | 0 | 113.3 | L84 M85 C90 L91 L92 | L84-F88 HydrophobicContact CD1-CD2 4.1Å; L84-F88 HydrophobicContact CD1-CE2 3.65Å; L84-F88 HydrophobicContact CD1-CZ 4.29Å; L84-F88 HydrophobicContact CD2-CE2 3.85Å; L84-F88 HydrophobicContact CG-CD2 3.76Å; L84-F88 HydrophobicContact CG-CE2 3.44Å; L84-F88 VanDerWaalsContact CG-CE2 3.44Å; L84-F88 HydrophobicContact CG-CZ 4.47Å; L84-F88 WeakPolarHBondContact O-CD2 3.37Å; L84-F88 PolarHBondContact O-N 2.93Å; M85-F88 PolarHBondContact O-N 3.44Å; F88-C90 VanDerWaalsContact C-N 3.35Å; F88-L91 HydrophobicContact CD1-CD2 4.47Å; F88-L91 PolarHBondContact O-N 2.92Å; F88-L92 VanDerWaalsContact O-CB 3.23Å; F88-L92 WeakPolarHBondContact O-CB 3.14Å; F88-L92 PolarHBondContact O-N 3.04Å |
| 89 | L | 92.2 | Very high | 85.9 | Confident | 104 Ų | 104 | 74.4 Ų | 74.4 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 175 | -74.4 | 169.7 | 0 | 0 | 0 | 111.1 | M85 S93 | M85-L89 HydrophobicContact CE-CD1 4.43Å; M85-L89 HydrophobicContact CG-CD1 4.02Å; M85-L89 HydrophobicContact CG-CG 4.42Å; M85-L89 WeakPolarHBondContact O-CB 3.48Å; M85-L89 VanDerWaalsContact O-CG 3.26Å; M85-L89 WeakPolarHBondContact O-CG 2.82Å; M85-L89 PolarHBondContact O-N 3.32Å; L89-S93 VanDerWaalsContact O-CB 3.27Å; L89-S93 WeakPolarHBondContact O-CB 3.33Å; L89-S93 PolarHBondContact O-N 2.91Å |
| 90 | C | 90.6 | Very high | 86.9 | Confident | 28 Ų | 28 | 75.3 Ų | 75.3 | 19% | 0.189 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67 | -41.3 | 176.4 | -168.5 | 0 | 0 | 0 | 0 | 111.5 | G86 F87 F88 S93 A94 L127 | G86-C90 WeakPolarHBondContact O-CB 3.31Å; G86-C90 PolarHBondContact O-N 3.29Å; F87-C90 PolarHBondContact O-N 3.26Å; F88-C90 VanDerWaalsContact C-N 3.35Å; C90-S93 PolarHBondContact O-N 2.91Å; C90-A94 VanDerWaalsContact O-CB 3.27Å; C90-A94 WeakPolarHBondContact O-CB 3.33Å; C90-A94 PolarHBondContact O-N 3Å; C90-L127 PolarHBondContact SG-O 3.25Å |
| 91 | L | 92.2 | Very high | 88 | Confident | 52 Ų | 52 | 66.8 Ų | 66.8 | 27% | 0.272 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 178.2 | -169.4 | 69.7 | 0 | 0 | 0 | 111.6 | F87 F88 A94 S95 L128 | F87-L91 HydrophobicContact CE1-CD2 3.96Å; F87-L91 HydrophobicContact CZ-CD1 4.46Å; F87-L91 HydrophobicContact CZ-CD2 3.88Å; F87-L91 WeakPolarHBondContact O-CB 3.45Å; F87-L91 PolarHBondContact O-N 3.48Å; F88-L91 HydrophobicContact CD1-CD2 4.47Å; F88-L91 PolarHBondContact O-N 2.92Å; L91-A94 PolarHBondContact O-N 3.08Å; L91-S95 VanDerWaalsContact O-CB 3.25Å; L91-S95 WeakPolarHBondContact O-CB 3.5Å; L91-S95 PolarHBondContact O-N 2.97Å; L91-L128 HydrophobicContact CD1-CD1 3.9Å |
| 92 | L | 95 | Very high | 88.8 | Confident | 107 Ų | 107 | 66.3 Ų | 66.3 | 56% | 0.56 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.5 | -43.7 | 176.8 | -174 | 63.6 | 0 | 0 | 0 | 110.5 | F88 S95 L96 | F88-L92 VanDerWaalsContact O-CB 3.23Å; F88-L92 WeakPolarHBondContact O-CB 3.14Å; F88-L92 PolarHBondContact O-N 3.04Å; L92-S95 PolarHBondContact O-N 2.72Å; L92-L96 HydrophobicContact CG-CD1 4.18Å; L92-L96 WeakPolarHBondContact O-CB 3.19Å; L92-L96 VanDerWaalsContact O-CG 3.24Å; L92-L96 WeakPolarHBondContact O-CG 3.37Å; L92-L96 PolarHBondContact O-N 3.38Å |
| 93 | S | 93.3 | Very high | 89.1 | Confident | 56 Ų | 56 | 65.8 Ų | 65.8 | 39% | 0.392 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 174.2 | -173.5 | 0 | 0 | 0 | 0 | 112 | L89 C90 L96 C97 | L89-S93 VanDerWaalsContact O-CB 3.27Å; L89-S93 WeakPolarHBondContact O-CB 3.33Å; L89-S93 PolarHBondContact O-N 2.91Å; C90-S93 PolarHBondContact O-N 2.91Å; S93-L96 PolarHBondContact O-N 3.3Å; S93-C97 VanDerWaalsContact O-CB 3.24Å; S93-C97 WeakPolarHBondContact O-CB 3.31Å; S93-C97 PolarHBondContact O-N 3Å |
| 94 | A | 92.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.2 | -46.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | C90 L91 C97 L98 L127 L128 | C90-A94 VanDerWaalsContact O-CB 3.27Å; C90-A94 WeakPolarHBondContact O-CB 3.33Å; C90-A94 PolarHBondContact O-N 3Å; L91-A94 PolarHBondContact O-N 3.08Å; A94-C97 PolarHBondContact O-N 3.28Å; A94-L98 WeakPolarHBondContact O-CB 3.14Å; A94-L98 WeakPolarHBondContact O-CG 3.36Å; A94-L98 PolarHBondContact O-N 3.47Å; A94-L127 HydrophobicContact CB-CB 3.69Å; A94-L128 HydrophobicContact CB-CB 4.15Å; A94-L128 HydrophobicContact CB-CD1 4.37Å |
| 95 | S | 94 | Very high | 89.4 | Confident | 69 Ų | 69 | 65.8 Ų | 65.8 | 48% | 0.483 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 178.2 | -173.6 | 0 | 0 | 0 | 0 | 112 | L91 L92 C97 L98 C99 | L91-S95 VanDerWaalsContact O-CB 3.25Å; L91-S95 WeakPolarHBondContact O-CB 3.5Å; L91-S95 PolarHBondContact O-N 2.97Å; L92-S95 PolarHBondContact O-N 2.72Å; S95-C97 VanDerWaalsContact C-N 3.35Å; S95-L98 PolarHBondContact O-N 3.05Å; S95-C99 WeakPolarHBondContact O-CB 3.3Å; S95-C99 PolarHBondContact O-N 3.47Å |
| 96 | L | 94.9 | Very high | 88.8 | Confident | 102 Ų | 102 | 65 Ų | 65 | 53% | 0.534 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 174.8 | -75.1 | 171.1 | 0 | 0 | 0 | 110.9 | L92 S93 C99 L100 | L92-L96 HydrophobicContact CG-CD1 4.18Å; L92-L96 WeakPolarHBondContact O-CB 3.19Å; L92-L96 VanDerWaalsContact O-CG 3.24Å; L92-L96 WeakPolarHBondContact O-CG 3.37Å; L92-L96 PolarHBondContact O-N 3.38Å; S93-L96 PolarHBondContact O-N 3.3Å; L96-C99 PolarHBondContact O-N 2.96Å; L96-L100 WeakPolarHBondContact O-CB 3.47Å; L96-L100 VanDerWaalsContact O-CG 3.26Å; L96-L100 WeakPolarHBondContact O-CG 3.3Å; L96-L100 PolarHBondContact O-N 3.18Å |
| 97 | C | 92 | Very high | 88 | Confident | 11 Ų | 11 | 67 Ų | 67 | 7% | 0.074 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 178.2 | -163.5 | 0 | 0 | 0 | 0 | 112.2 | S93 A94 S95 A101 L120 | S93-C97 VanDerWaalsContact O-CB 3.24Å; S93-C97 WeakPolarHBondContact O-CB 3.31Å; S93-C97 PolarHBondContact O-N 3Å; A94-C97 PolarHBondContact O-N 3.28Å; S95-C97 VanDerWaalsContact C-N 3.35Å; C97-A101 PolarHBondContact O-N 2.88Å; C97-L120 PolarHBondContact SG-O 3.4Å |
| 98 | L | 90.9 | Very high | 87.1 | Confident | 51 Ų | 51 | 68.2 Ų | 68.2 | 27% | 0.267 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.3 | -39.8 | 174.4 | -72.3 | 173.4 | 0 | 0 | 0 | 112.4 | A94 S95 A101 M102 | A94-L98 WeakPolarHBondContact O-CB 3.14Å; A94-L98 WeakPolarHBondContact O-CG 3.36Å; A94-L98 PolarHBondContact O-N 3.47Å; S95-L98 PolarHBondContact O-N 3.05Å; L98-A101 WeakPolarHBondContact O-CB 3.47Å; L98-A101 PolarHBondContact O-N 3.13Å; L98-M102 WeakPolarHBondContact O-CG 3.37Å; L98-M102 PolarHBondContact O-N 3.45Å |
| 99 | C | 92.7 | Very high | 85.8 | Confident | 75 Ų | 75 | 67.2 Ų | 67.2 | 51% | 0.507 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 175.1 | -174 | 0 | 0 | 0 | 0 | 110.9 | S95 L96 A101 M102 V103 | S95-C99 WeakPolarHBondContact O-CB 3.3Å; S95-C99 PolarHBondContact O-N 3.47Å; L96-C99 PolarHBondContact O-N 2.96Å; C99-A101 VanDerWaalsContact C-N 3.33Å; C99-A101 PolarHBondContact O-N 3.19Å; C99-M102 WeakPolarHBondContact O-CB 3.48Å; C99-M102 PolarHBondContact O-N 3.29Å; C99-M102 VanDerWaalsContact O-N 3.13Å; C99-V103 WeakPolarHBondContact O-CG2 3.15Å; C99-V103 PolarHBondContact O-N 3.34Å |
| 100 | L | 89.4 | Confident | 84.7 | Confident | 89 Ų | 89 | 65.5 Ų | 65.5 | 47% | 0.466 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60 | -43.7 | 172.6 | -72 | 172.2 | 0 | 0 | 0 | 111 | L96 M102 V103 F104 L120 | L96-L100 WeakPolarHBondContact O-CB 3.47Å; L96-L100 VanDerWaalsContact O-CG 3.26Å; L96-L100 WeakPolarHBondContact O-CG 3.3Å; L96-L100 PolarHBondContact O-N 3.18Å; L100-M102 VanDerWaalsContact C-N 3.26Å; L100-M102 PolarHBondContact O-N 3.47Å; L100-V103 PolarHBondContact O-N 3.43Å; L100-F104 WeakPolarHBondContact O-CD2 3.49Å; L100-F104 PolarHBondContact O-N 2.92Å; L100-L120 HydrophobicContact CB-CD2 3.39Å; L100-L120 HydrophobicContact CD1-CD2 4.2Å; L100-L120 HydrophobicContact CG-CD2 4.43Å |
| 101 | A | 86.8 | Confident | 83.6 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 2% | 0.017 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -54.9 | -42.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C97 L98 C99 V103 F104 L105 Y117 L120 H121 | C97-A101 PolarHBondContact O-N 2.88Å; L98-A101 WeakPolarHBondContact O-CB 3.47Å; L98-A101 PolarHBondContact O-N 3.13Å; C99-A101 VanDerWaalsContact C-N 3.33Å; C99-A101 PolarHBondContact O-N 3.19Å; A101-V103 PolarHBondContact O-N 3.5Å; A101-F104 PolarHBondContact O-N 2.84Å; A101-L105 PolarHBondContact O-N 2.98Å; A101-Y117 HydrophobicContact CB-CD2 4.15Å; A101-Y117 HydrophobicContact CB-CE2 3.98Å; A101-Y117 WeakPolarHBondContact O-CD2 3.04Å; A101-Y117 WeakPolarHBondContact O-CE2 3.45Å; A101-L120 HydrophobicContact CB-CB 4.21Å; A101-H121 HydrophobicContact CB-CB 4.36Å |
| 102 | M | 84.9 | Confident | 82.6 | Confident | 124 Ų | 124 | 72.3 Ų | 72.3 | 61% | 0.611 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64.9 | -36.4 | 175.7 | -66 | -59.9 | -69.9 | 0 | 0 | 113.3 | L98 C99 L100 F104 L105 | L98-M102 WeakPolarHBondContact O-CG 3.37Å; L98-M102 PolarHBondContact O-N 3.45Å; C99-M102 WeakPolarHBondContact O-CB 3.48Å; C99-M102 PolarHBondContact O-N 3.29Å; C99-M102 VanDerWaalsContact O-N 3.13Å; L100-M102 VanDerWaalsContact C-N 3.26Å; L100-M102 PolarHBondContact O-N 3.47Å; M102-F104 VanDerWaalsContact C-N 3.32Å; M102-L105 WeakPolarHBondContact O-CB 3.43Å; M102-L105 PolarHBondContact O-N 3.44Å |
| 103 | V | 84.9 | Confident | 81.6 | Confident | 93 Ų | 93 | 67.4 Ų | 67.4 | 56% | 0.564 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -69.6 | -30.1 | 174 | 175 | 0 | 0 | 0 | 0 | 111.9 | C99 L100 A101 L105 P106 | C99-V103 WeakPolarHBondContact O-CG2 3.15Å; C99-V103 PolarHBondContact O-N 3.34Å; L100-V103 PolarHBondContact O-N 3.43Å; A101-V103 PolarHBondContact O-N 3.5Å; V103-L105 VanDerWaalsContact C-N 3.28Å; V103-L105 PolarHBondContact O-N 3.47Å; V103-P106 VanDerWaalsContact O-CD 3.23Å; V103-P106 WeakPolarHBondContact O-CD 3.17Å; V103-P106 VanDerWaalsContact O-CG 3.29Å; V103-P106 WeakPolarHBondContact O-CG 3.13Å |
| 104 | F | 80.9 | Confident | 80.6 | Confident | 59 Ų | 59 | 67 Ų | 67 | 26% | 0.259 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -77.3 | -10.1 | 175.6 | -84.2 | -77.3 | 0 | 0 | 0 | 113.6 | L100 A101 M102 V107 I108 Y117 L120 | L100-F104 WeakPolarHBondContact O-CD2 3.49Å; L100-F104 PolarHBondContact O-N 2.92Å; A101-F104 PolarHBondContact O-N 2.84Å; M102-F104 VanDerWaalsContact C-N 3.32Å; F104-V107 HydrophobicContact CD1-CB 4.19Å; F104-V107 HydrophobicContact CD1-CG1 4.39Å; F104-V107 HydrophobicContact CD1-CG2 4.41Å; F104-V107 CarbonylContact O-C 3.6Å; F104-V107 WeakPolarHBondContact O-CA 3.25Å; F104-V107 WeakPolarHBondContact O-CB 3.28Å; F104-V107 PolarHBondContact O-N 2.91Å; F104-I108 PolarHBondContact O-N 3.04Å; F104-Y117 HydrophobicContact CB-CD2 4.36Å; F104-L120 HydrophobicContact CD2-CD2 4.05Å; F104-L120 HydrophobicContact CE2-CD2 4.18Å |
| 105 | L | 79.6 | Confident | 79.7 | Confident | 79 Ų | 79 | 69.7 Ų | 69.7 | 41% | 0.414 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -53.3 | -48.8 | 177.7 | -145.2 | 81.4 | 0 | 0 | 0 | 113.8 | A101 M102 V103 V107 I108 Y117 | A101-L105 PolarHBondContact O-N 2.98Å; M102-L105 WeakPolarHBondContact O-CB 3.43Å; M102-L105 PolarHBondContact O-N 3.44Å; V103-L105 VanDerWaalsContact C-N 3.28Å; V103-L105 PolarHBondContact O-N 3.47Å; L105-V107 PolarHBondContact O-N 2.78Å; L105-I108 HydrophobicContact CB-CD1 4.45Å; L105-I108 HydrophobicContact CD1-CD1 3.72Å; L105-I108 HydrophobicContact CG-CD1 4.05Å; L105-I108 VanDerWaalsContact O-CB 3.29Å; L105-I108 WeakPolarHBondContact O-CB 3.38Å; L105-I108 VanDerWaalsContact O-CG1 3.29Å; L105-I108 WeakPolarHBondContact O-CG1 3.27Å; L105-I108 PolarHBondContact O-N 3.23Å; L105-Y117 HydrophobicContact CD1-CD2 4.31Å; L105-Y117 HydrophobicContact CD1-CE2 3.48Å; L105-Y117 VanDerWaalsContact CD1-CE2 3.48Å |
| 106 | P | 73.4 | Confident | 79.1 | Confident | 105 Ų | 105 | 72.2 Ų | 72.2 | 68% | 0.682 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -64.5 | -21.7 | 173.3 | 23.9 | -36.1 | 0 | 0 | 0 | 114.1 | V103 | V103-P106 VanDerWaalsContact O-CD 3.23Å; V103-P106 WeakPolarHBondContact O-CD 3.17Å; V103-P106 VanDerWaalsContact O-CG 3.29Å; V103-P106 WeakPolarHBondContact O-CG 3.13Å |
| 107 | V | 69.5 | Low | 78.6 | Confident | 64 Ų | 64 | 68.6 Ų | 68.6 | 39% | 0.388 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -85.7 | -10 | -179.1 | -172.4 | 0 | 0 | 0 | 0 | 112 | F104 L105 A109 T110 | F104-V107 HydrophobicContact CD1-CB 4.19Å; F104-V107 HydrophobicContact CD1-CG1 4.39Å; F104-V107 HydrophobicContact CD1-CG2 4.41Å; F104-V107 CarbonylContact O-C 3.6Å; F104-V107 WeakPolarHBondContact O-CA 3.25Å; F104-V107 WeakPolarHBondContact O-CB 3.28Å; F104-V107 PolarHBondContact O-N 2.91Å; L105-V107 PolarHBondContact O-N 2.78Å; V107-A109 PolarHBondContact O-N 3.45Å; V107-A109 VanDerWaalsContact O-N 3.12Å; V107-T110 PolarHBondContact O-N 3.24Å; V107-T110 PolarHBondContact O-OG1 3.46Å |
| 108 | I | 68.2 | Low | 78.1 | Confident | 45 Ų | 45 | 68.2 Ų | 68.2 | 23% | 0.231 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -57.1 | -26 | 177.2 | -66.9 | 176.3 | 0 | 0 | 0 | 112.2 | F104 L105 T110 M114 Y117 | F104-I108 PolarHBondContact O-N 3.04Å; L105-I108 HydrophobicContact CB-CD1 4.45Å; L105-I108 HydrophobicContact CD1-CD1 3.72Å; L105-I108 HydrophobicContact CG-CD1 4.05Å; L105-I108 VanDerWaalsContact O-CB 3.29Å; L105-I108 WeakPolarHBondContact O-CB 3.38Å; L105-I108 VanDerWaalsContact O-CG1 3.29Å; L105-I108 WeakPolarHBondContact O-CG1 3.27Å; L105-I108 PolarHBondContact O-N 3.23Å; I108-T110 PolarHBondContact O-N 2.92Å; I108-M114 HydrophobicContact CB-CG 4.45Å; I108-M114 HydrophobicContact CG2-CG 3.69Å; I108-M114 HydrophobicContact CG2-SD 3.55Å; I108-M114 VanDerWaalsContact CG2-SD 3.55Å; I108-M114 WeakPolarHBondContact O-CG 3.43Å; I108-Y117 HydrophobicContact CD1-CD1 3.87Å; I108-Y117 HydrophobicContact CD1-CD2 3.96Å; I108-Y117 HydrophobicContact CD1-CE1 4.13Å; I108-Y117 HydrophobicContact CD1-CE2 4.21Å; I108-Y117 HydrophobicContact CD1-CG 3.78Å; I108-Y117 HydrophobicContact CG1-CD1 4.47Å; I108-Y117 HydrophobicContact CG1-CD2 4.43Å; I108-Y117 HydrophobicContact CG1-CG 4.08Å |
| 109 | A | 64 | Low | 77.8 | Confident | 97 Ų | 97 | 68.5 Ų | 68.5 | 80% | 0.802 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -59.6 | -18.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V107 | V107-A109 PolarHBondContact O-N 3.45Å; V107-A109 VanDerWaalsContact O-N 3.12Å |
| 110 | T | 69.3 | Low | 77.6 | Confident | 67 Ų | 67 | 66.9 Ų | 66.9 | 41% | 0.411 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -93 | 134.9 | 171.2 | 62.2 | 0 | 0 | 0 | 0 | 110.7 | V107 I108 F112 G113 M114 | V107-T110 PolarHBondContact O-N 3.24Å; V107-T110 PolarHBondContact O-OG1 3.46Å; I108-T110 PolarHBondContact O-N 2.92Å; T110-F112 PolarHBondContact O-N 3.24Å; T110-F112 VanDerWaalsContact O-N 3.08Å; T110-G113 WeakPolarHBondContact O-CA 3.5Å; T110-G113 PolarHBondContact O-N 2.84Å; T110-G113 PolarHBondContact OG1-N 3.39Å; T110-M114 PolarHBondContact O-N 3.22Å |
| 111 | P | 67.8 | Low | 77.4 | Confident | 84 Ų | 84 | 64.5 Ų | 64.5 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.3 | -24.7 | 178.9 | 23.5 | -33.4 | 0 | 0 | 0 | 112.6 | A174 | P111-A174 HydrophobicContact CB-CB 4.5Å |
| 112 | F | 71.1 | Confident | 77.3 | Confident | 140 Ų | 140 | 64.4 Ų | 64.4 | 61% | 0.614 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -74.6 | -29.7 | 173.7 | -66.9 | -90.4 | 0 | 0 | 0 | 113.1 | T110 | T110-F112 PolarHBondContact O-N 3.24Å; T110-F112 VanDerWaalsContact O-N 3.08Å |
| 113 | G | 72.9 | Confident | 77.5 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -73.8 | -40 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T110 R115 K116 Y117 | T110-G113 WeakPolarHBondContact O-CA 3.5Å; T110-G113 PolarHBondContact O-N 2.84Å; T110-G113 PolarHBondContact OG1-N 3.39Å; G113-R115 VanDerWaalsContact C-N 3.27Å; G113-R115 PolarHBondContact O-N 3.09Å; G113-K116 PolarHBondContact O-N 2.84Å; G113-K116 VanDerWaalsContact O-N 3.11Å; G113-Y117 PolarHBondContact O-N 3.5Å |
| 114 | M | 72.3 | Confident | 77.7 | Confident | 47 Ų | 47 | 58.1 Ų | 58.1 | 23% | 0.232 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -54.7 | -41.4 | -177.8 | -63.1 | -132.8 | -69.8 | 0 | 0 | 113 | I108 T110 K116 Y117 V118 A174 A178 | I108-M114 HydrophobicContact CB-CG 4.45Å; I108-M114 HydrophobicContact CG2-CG 3.69Å; I108-M114 HydrophobicContact CG2-SD 3.55Å; I108-M114 VanDerWaalsContact CG2-SD 3.55Å; I108-M114 WeakPolarHBondContact O-CG 3.43Å; T110-M114 PolarHBondContact O-N 3.22Å; M114-K116 PolarHBondContact O-N 2.78Å; M114-Y117 PolarHBondContact O-N 2.82Å; M114-V118 WeakPolarHBondContact O-CG2 3.46Å; M114-V118 PolarHBondContact O-N 3.32Å; M114-A174 HydrophobicContact CE-CB 3.83Å; M114-A174 WeakPolarHBondContact CE-O 2.98Å; M114-A178 HydrophobicContact CE-CB 4.06Å |
| 115 | R | 74.9 | Confident | 78 | Confident | 56 Ų | 56 | 55.9 Ų | 55.9 | 21% | 0.211 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 180 | -63 | -177 | -67 | -169.1 | 2 | 111.7 | G113 Y117 V118 L119 V168 Q172 | G113-R115 VanDerWaalsContact C-N 3.27Å; G113-R115 PolarHBondContact O-N 3.09Å; R115-Y117 VanDerWaalsContact C-N 3.33Å; R115-Y117 PolarHBondContact O-N 3.39Å; R115-V118 PolarHBondContact O-N 3.36Å; R115-L119 WeakPolarHBondContact O-CB 3.43Å; R115-L119 VanDerWaalsContact O-CG 3.27Å; R115-L119 WeakPolarHBondContact O-CG 3.32Å; R115-L119 PolarHBondContact O-N 2.86Å; R115-V168 HydrophobicContact CB-CG1 4.27Å; R115-Q172 WeakPolarHBondContact CD-O 3.36Å; R115-Q172 PolarHBondContact NH1-O 3.16Å |
| 116 | K | 80.6 | Confident | 78.3 | Confident | 123 Ų | 123 | 54.2 Ų | 54.2 | 54% | 0.535 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 179.4 | -62.8 | -178.5 | -177.1 | -179.8 | 0 | 111.1 | G113 M114 L119 L120 | G113-K116 PolarHBondContact O-N 2.84Å; G113-K116 VanDerWaalsContact O-N 3.11Å; M114-K116 PolarHBondContact O-N 2.78Å; K116-L119 PolarHBondContact O-N 3.25Å; K116-L120 PolarHBondContact O-N 2.92Å |
| 117 | Y | 83.6 | Confident | 79.1 | Confident | 25 Ų | 25 | 51.5 Ų | 51.5 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.4 | -51.7 | 175.8 | 173.4 | -97.8 | 0 | 0 | 0 | 111.7 | A101 F104 L105 I108 G113 M114 R115 L119 L120 H121 L181 | A101-Y117 HydrophobicContact CB-CD2 4.15Å; A101-Y117 HydrophobicContact CB-CE2 3.98Å; A101-Y117 WeakPolarHBondContact O-CD2 3.04Å; A101-Y117 WeakPolarHBondContact O-CE2 3.45Å; F104-Y117 HydrophobicContact CB-CD2 4.36Å; L105-Y117 HydrophobicContact CD1-CD2 4.31Å; L105-Y117 HydrophobicContact CD1-CE2 3.48Å; L105-Y117 VanDerWaalsContact CD1-CE2 3.48Å; I108-Y117 HydrophobicContact CD1-CD1 3.87Å; I108-Y117 HydrophobicContact CD1-CD2 3.96Å; I108-Y117 HydrophobicContact CD1-CE1 4.13Å; I108-Y117 HydrophobicContact CD1-CE2 4.21Å; I108-Y117 HydrophobicContact CD1-CG 3.78Å; I108-Y117 HydrophobicContact CG1-CD1 4.47Å; I108-Y117 HydrophobicContact CG1-CD2 4.43Å; I108-Y117 HydrophobicContact CG1-CG 4.08Å; G113-Y117 PolarHBondContact O-N 3.5Å; M114-Y117 PolarHBondContact O-N 2.82Å; R115-Y117 VanDerWaalsContact C-N 3.33Å; R115-Y117 PolarHBondContact O-N 3.39Å; Y117-L119 VanDerWaalsContact C-N 3.34Å; Y117-L119 PolarHBondContact O-N 3.14Å; Y117-L120 PolarHBondContact O-N 3.45Å; Y117-H121 HydrophobicContact CE1-CB 4.5Å; Y117-H121 VanDerWaalsContact O-CB 3.25Å; Y117-H121 WeakPolarHBondContact O-CB 3.36Å; Y117-H121 PolarHBondContact O-N 2.74Å; Y117-L181 HydrophobicContact CD1-CD2 4.08Å; Y117-L181 HydrophobicContact CE1-CD1 4.01Å; Y117-L181 HydrophobicContact CE1-CD2 3.56Å; Y117-L181 HydrophobicContact CE1-CG 4.43Å |
| 118 | V | 81.8 | Confident | 80 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66 | -37.4 | -178.7 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | M114 R115 H121 T122 V168 S177 L181 | M114-V118 WeakPolarHBondContact O-CG2 3.46Å; M114-V118 PolarHBondContact O-N 3.32Å; R115-V118 PolarHBondContact O-N 3.36Å; V118-H121 PolarHBondContact O-N 2.82Å; V118-T122 HydrophobicContact CG1-CG2 4.15Å; V118-T122 WeakPolarHBondContact O-CB 3.4Å; V118-T122 VanDerWaalsContact O-CG2 3.28Å; V118-T122 WeakPolarHBondContact O-CG2 3.49Å; V118-T122 PolarHBondContact O-N 3.01Å; V118-T122 PolarHBondContact O-OG1 3.2Å; V118-V168 HydrophobicContact CB-CG2 4.25Å; V118-V168 HydrophobicContact CG1-CG2 3.82Å; V118-S177 VanDerWaalsContact CB-OG 3.31Å; V118-S177 WeakPolarHBondContact CB-OG 3.18Å; V118-S177 WeakPolarHBondContact CG2-OG 3.48Å; V118-L181 HydrophobicContact CG2-CB 4.07Å; V118-L181 HydrophobicContact CG2-CD1 4.42Å; V118-L181 HydrophobicContact CG2-CD2 4.21Å; V118-L181 HydrophobicContact CG2-CG 4.47Å |
| 119 | L | 84.5 | Confident | 80.7 | Confident | 58 Ų | 58 | 51.1 Ų | 51.1 | 30% | 0.304 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.2 | -48.7 | 174.8 | -71.3 | 178.5 | 0 | 0 | 0 | 111.9 | R115 K116 Y117 T122 L123 L165 V168 V169 | R115-L119 WeakPolarHBondContact O-CB 3.43Å; R115-L119 VanDerWaalsContact O-CG 3.27Å; R115-L119 WeakPolarHBondContact O-CG 3.32Å; R115-L119 PolarHBondContact O-N 2.86Å; K116-L119 PolarHBondContact O-N 3.25Å; Y117-L119 VanDerWaalsContact C-N 3.34Å; Y117-L119 PolarHBondContact O-N 3.14Å; L119-T122 PolarHBondContact O-OG1 2.83Å; L119-T122 VanDerWaalsContact O-OG1 3.07Å; L119-L123 WeakPolarHBondContact O-CB 2.96Å; L119-L123 PolarHBondContact O-N 3.37Å; L119-L165 HydrophobicContact CD2-CD1 3.23Å; L119-V168 HydrophobicContact CD1-CG1 4.3Å; L119-V168 HydrophobicContact CD2-CB 4.17Å; L119-V168 HydrophobicContact CD2-CG1 3.78Å; L119-V168 HydrophobicContact CG-CG1 3.82Å; L119-V169 HydrophobicContact CD2-CG2 4.15Å |
| 120 | L | 88.3 | Confident | 81.5 | Confident | 40 Ų | 40 | 48 Ų | 48 | 21% | 0.209 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 177.5 | -103 | 60 | 0 | 0 | 0 | 111.8 | C97 L100 A101 F104 K116 Y117 L123 G124 | C97-L120 PolarHBondContact SG-O 3.4Å; L100-L120 HydrophobicContact CB-CD2 3.39Å; L100-L120 HydrophobicContact CD1-CD2 4.2Å; L100-L120 HydrophobicContact CG-CD2 4.43Å; A101-L120 HydrophobicContact CB-CB 4.21Å; F104-L120 HydrophobicContact CD2-CD2 4.05Å; F104-L120 HydrophobicContact CE2-CD2 4.18Å; K116-L120 PolarHBondContact O-N 2.92Å; Y117-L120 PolarHBondContact O-N 3.45Å; L120-L123 PolarHBondContact O-N 2.84Å; L120-G124 PolarHBondContact O-N 3.49Å |
| 121 | H | 85.4 | Confident | 82.2 | Confident | 40 Ų | 40 | 44.9 Ų | 44.9 | 19% | 0.185 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 178.9 | -180 | -100.2 | 0 | 0 | 0 | 112.3 | A101 Y117 V118 S125 | A101-H121 HydrophobicContact CB-CB 4.36Å; Y117-H121 HydrophobicContact CE1-CB 4.5Å; Y117-H121 VanDerWaalsContact O-CB 3.25Å; Y117-H121 WeakPolarHBondContact O-CB 3.36Å; Y117-H121 PolarHBondContact O-N 2.74Å; V118-H121 PolarHBondContact O-N 2.82Å; H121-S125 WeakPolarHBondContact O-CB 3.25Å; H121-S125 PolarHBondContact O-N 2.86Å; H121-S125 PolarHBondContact O-OG 2.8Å |
| 122 | T | 86.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.8 | -44 | 177.5 | 53.4 | 0 | 0 | 0 | 0 | 111.6 | V118 L119 S125 I126 L161 | V118-T122 HydrophobicContact CG1-CG2 4.15Å; V118-T122 WeakPolarHBondContact O-CB 3.4Å; V118-T122 VanDerWaalsContact O-CG2 3.28Å; V118-T122 WeakPolarHBondContact O-CG2 3.49Å; V118-T122 PolarHBondContact O-N 3.01Å; V118-T122 PolarHBondContact O-OG1 3.2Å; L119-T122 PolarHBondContact O-OG1 2.83Å; L119-T122 VanDerWaalsContact O-OG1 3.07Å; T122-S125 PolarHBondContact O-N 2.73Å; T122-I126 VanDerWaalsContact O-CG1 3.29Å; T122-I126 WeakPolarHBondContact O-CG1 3.3Å; T122-I126 PolarHBondContact O-N 3.47Å; T122-L161 HydrophobicContact CG2-CD2 3.92Å |
| 123 | L | 88.6 | Confident | 82.9 | Confident | 85 Ų | 85 | 40.1 Ų | 40.1 | 45% | 0.445 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.1 | -45.8 | 176.7 | -170.2 | 77.2 | 0 | 0 | 0 | 111.5 | L119 L120 S125 I126 L127 | L119-L123 WeakPolarHBondContact O-CB 2.96Å; L119-L123 PolarHBondContact O-N 3.37Å; L120-L123 PolarHBondContact O-N 2.84Å; L123-S125 VanDerWaalsContact C-N 3.34Å; L123-S125 PolarHBondContact O-N 2.9Å; L123-I126 PolarHBondContact O-N 3.26Å; L123-L127 HydrophobicContact CG-CD1 4.23Å; L123-L127 WeakPolarHBondContact O-CB 3.35Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 2.86Å |
| 124 | G | 89.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L120 L127 L128 | L120-G124 PolarHBondContact O-N 3.49Å; G124-L127 PolarHBondContact O-N 2.88Å; G124-L128 VanDerWaalsContact O-CB 3.28Å; G124-L128 WeakPolarHBondContact O-CB 3.48Å; G124-L128 PolarHBondContact O-N 3.28Å |
| 125 | S | 87.6 | Confident | 82.7 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 8% | 0.077 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | 176 | -62.5 | 0 | 0 | 0 | 0 | 112.6 | H121 T122 L123 L128 I129 | H121-S125 WeakPolarHBondContact O-CB 3.25Å; H121-S125 PolarHBondContact O-N 2.86Å; H121-S125 PolarHBondContact O-OG 2.8Å; T122-S125 PolarHBondContact O-N 2.73Å; L123-S125 VanDerWaalsContact C-N 3.34Å; L123-S125 PolarHBondContact O-N 2.9Å; S125-L128 PolarHBondContact O-N 2.83Å; S125-I129 WeakPolarHBondContact O-CD1 3.2Å; S125-I129 VanDerWaalsContact O-CG1 3.29Å; S125-I129 WeakPolarHBondContact O-CG1 3.26Å; S125-I129 PolarHBondContact O-N 3.03Å |
| 126 | I | 85.6 | Confident | 82.1 | Confident | 45 Ų | 45 | 43 Ų | 43 | 23% | 0.231 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.8 | -44.9 | 177.8 | -68.5 | 166 | 0 | 0 | 0 | 110.6 | T122 L123 L128 I129 G130 L161 F162 L165 | T122-I126 VanDerWaalsContact O-CG1 3.29Å; T122-I126 WeakPolarHBondContact O-CG1 3.3Å; T122-I126 PolarHBondContact O-N 3.47Å; L123-I126 PolarHBondContact O-N 3.26Å; I126-L128 VanDerWaalsContact C-N 3.32Å; I126-L128 PolarHBondContact O-N 2.85Å; I126-I129 PolarHBondContact O-N 2.92Å; I126-G130 PolarHBondContact O-N 2.88Å; I126-L161 HydrophobicContact CG1-CD1 4.32Å; I126-F162 HydrophobicContact CD1-CD1 4.48Å; I126-F162 HydrophobicContact CD1-CE1 4.11Å; I126-F162 HydrophobicContact CD1-CZ 4.27Å; I126-L165 HydrophobicContact CD1-CD2 4.37Å |
| 127 | L | 88.9 | Confident | 81.1 | Confident | 47 Ų | 47 | 37.3 Ų | 37.3 | 25% | 0.246 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.7 | -40 | 175.3 | -74.1 | 169.9 | 0 | 0 | 0 | 111.4 | C90 A94 L123 G124 G130 S131 | C90-L127 PolarHBondContact SG-O 3.25Å; A94-L127 HydrophobicContact CB-CB 3.69Å; L123-L127 HydrophobicContact CG-CD1 4.23Å; L123-L127 WeakPolarHBondContact O-CB 3.35Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 2.86Å; G124-L127 PolarHBondContact O-N 2.88Å; L127-G130 CarbonylContact O-C 3.6Å; L127-G130 PolarHBondContact O-N 3.24Å; L127-S131 WeakPolarHBondContact O-CB 3.46Å; L127-S131 PolarHBondContact O-N 3.46Å |
| 128 | L | 88.2 | Confident | 79.8 | Confident | 58 Ų | 58 | 38.8 Ų | 38.8 | 30% | 0.304 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 176.7 | -169.7 | 73.1 | 0 | 0 | 0 | 111.2 | L91 A94 G124 S125 I126 G130 S131 F132 | L91-L128 HydrophobicContact CD1-CD1 3.9Å; A94-L128 HydrophobicContact CB-CB 4.15Å; A94-L128 HydrophobicContact CB-CD1 4.37Å; G124-L128 VanDerWaalsContact O-CB 3.28Å; G124-L128 WeakPolarHBondContact O-CB 3.48Å; G124-L128 PolarHBondContact O-N 3.28Å; S125-L128 PolarHBondContact O-N 2.83Å; I126-L128 VanDerWaalsContact C-N 3.32Å; I126-L128 PolarHBondContact O-N 2.85Å; L128-G130 VanDerWaalsContact C-N 3.35Å; L128-G130 PolarHBondContact O-N 3.06Å; L128-S131 WeakPolarHBondContact O-CB 3.17Å; L128-S131 PolarHBondContact O-N 3.49Å; L128-F132 HydrophobicContact CD1-CE2 4.28Å; L128-F132 HydrophobicContact CG-CD2 4.44Å; L128-F132 HydrophobicContact CG-CE2 4.01Å; L128-F132 WeakPolarHBondContact O-CD2 3.26Å; L128-F132 PolarHBondContact O-N 2.98Å |
| 129 | I | 83 | Confident | 78.5 | Confident | 43 Ų | 43 | 42.1 Ų | 42.1 | 22% | 0.221 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 175.1 | -66.9 | 157.4 | 0 | 0 | 0 | 110.7 | S125 I126 S131 F132 S133 Y157 L158 L161 | S125-I129 WeakPolarHBondContact O-CD1 3.2Å; S125-I129 VanDerWaalsContact O-CG1 3.29Å; S125-I129 WeakPolarHBondContact O-CG1 3.26Å; S125-I129 PolarHBondContact O-N 3.03Å; I126-I129 PolarHBondContact O-N 2.92Å; I129-S131 VanDerWaalsContact C-N 3.32Å; I129-S131 PolarHBondContact O-N 3.31Å; I129-F132 PolarHBondContact O-N 2.91Å; I129-S133 PolarHBondContact O-N 3.07Å; I129-Y157 HydrophobicContact CD1-CD1 4.24Å; I129-Y157 HydrophobicContact CD1-CE1 3.96Å; I129-L158 HydrophobicContact CD1-CD1 3.62Å; I129-L158 HydrophobicContact CD1-CG 4.27Å; I129-L158 HydrophobicContact CG2-CD1 4.35Å; I129-L161 HydrophobicContact CD1-CD1 3.92Å |
| 130 | G | 80.9 | Confident | 77.1 | Confident | 33 Ų | 33 | 40.5 Ų | 40.5 | 34% | 0.34 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.5 | -37 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I126 L127 L128 S133 F134 | I126-G130 PolarHBondContact O-N 2.88Å; L127-G130 CarbonylContact O-C 3.6Å; L127-G130 PolarHBondContact O-N 3.24Å; L128-G130 VanDerWaalsContact C-N 3.35Å; L128-G130 PolarHBondContact O-N 3.06Å; G130-S133 WeakPolarHBondContact O-CB 3.17Å; G130-S133 PolarHBondContact O-N 3.36Å; G130-F134 PolarHBondContact O-N 2.76Å |
| 131 | S | 85 | Confident | 75.5 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -51.2 | 173.8 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | F87 L127 L128 I129 S133 F134 L135 | F87-S131 VanDerWaalsContact CD2-O 3.22Å; F87-S131 WeakPolarHBondContact CD2-O 3.46Å; F87-S131 WeakPolarHBondContact CD2-OG 3.24Å; F87-S131 WeakPolarHBondContact CE2-OG 3.37Å; F87-S131 PolarHBondContact O-OG 2.81Å; F87-S131 VanDerWaalsContact O-OG 3.07Å; L127-S131 WeakPolarHBondContact O-CB 3.46Å; L127-S131 PolarHBondContact O-N 3.46Å; L128-S131 WeakPolarHBondContact O-CB 3.17Å; L128-S131 PolarHBondContact O-N 3.49Å; I129-S131 VanDerWaalsContact C-N 3.32Å; I129-S131 PolarHBondContact O-N 3.31Å; S131-S133 VanDerWaalsContact C-N 3.29Å; S131-S133 PolarHBondContact O-N 2.86Å; S131-F134 WeakPolarHBondContact O-CB 3.37Å; S131-F134 PolarHBondContact O-N 3.12Å; S131-L135 PolarHBondContact O-N 3.39Å; S131-L135 VanDerWaalsContact O-N 3.07Å |
| 132 | F | 78.6 | Confident | 74.2 | Confident | 100 Ų | 100 | 42.6 Ų | 42.6 | 44% | 0.439 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.1 | -37.8 | 173.8 | -72.5 | -68.2 | 0 | 0 | 0 | 113 | L128 I129 F134 L135 L136 | L128-F132 HydrophobicContact CD1-CE2 4.28Å; L128-F132 HydrophobicContact CG-CD2 4.44Å; L128-F132 HydrophobicContact CG-CE2 4.01Å; L128-F132 WeakPolarHBondContact O-CD2 3.26Å; L128-F132 PolarHBondContact O-N 2.98Å; I129-F132 PolarHBondContact O-N 2.91Å; F132-F134 VanDerWaalsContact C-N 3.29Å; F132-F134 PolarHBondContact O-N 3.19Å; F132-L135 PolarHBondContact O-N 3.48Å; F132-L136 HydrophobicContact CB-CD1 4.37Å; F132-L136 WeakPolarHBondContact O-CD1 3.24Å; F132-L136 PolarHBondContact O-N 2.83Å |
| 133 | S | 74.1 | Confident | 72.7 | Confident | 24 Ų | 24 | 50.2 Ų | 50.2 | 17% | 0.168 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.6 | -38.9 | 174 | -172.7 | 0 | 0 | 0 | 0 | 112.6 | I129 G130 S131 G137 | I129-S133 PolarHBondContact O-N 3.07Å; G130-S133 WeakPolarHBondContact O-CB 3.17Å; G130-S133 PolarHBondContact O-N 3.36Å; S131-S133 VanDerWaalsContact C-N 3.29Å; S131-S133 PolarHBondContact O-N 2.86Å; S133-G137 CarbonylContact O-C 3.55Å; S133-G137 PolarHBondContact O-N 2.75Å |
| 134 | F | 72.8 | Confident | 70.9 | Confident | 84 Ų | 84 | 48.4 Ų | 48.4 | 37% | 0.368 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -70.2 | -33.7 | 177.1 | -149 | -112 | 0 | 0 | 0 | 112.9 | R83 F87 G130 S131 F132 | R83-F134 VanDerWaalsContact CA-CE1 3.43Å; R83-F134 HydrophobicContact CB-CE1 4.15Å; R83-F134 WeakPolarHBondContact O-CD1 3.29Å; R83-F134 WeakPolarHBondContact O-CE1 3.41Å; F87-F134 HydrophobicContact CB-CD1 4.26Å; F87-F134 VanDerWaalsContact N-CD1 3.34Å; G130-F134 PolarHBondContact O-N 2.76Å; S131-F134 WeakPolarHBondContact O-CB 3.37Å; S131-F134 PolarHBondContact O-N 3.12Å; F132-F134 VanDerWaalsContact C-N 3.29Å; F132-F134 PolarHBondContact O-N 3.19Å |
| 135 | L | 68.4 | Low | 69.1 | Low | 52 Ų | 52 | 51 Ų | 51 | 27% | 0.272 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -73.5 | -39.2 | 178 | -169.3 | 119.3 | 0 | 0 | 0 | 113.1 | F65 F87 S131 F132 G137 | F65-L135 HydrophobicContact CE1-CD2 3.7Å; F65-L135 HydrophobicContact CE1-CG 4.17Å; F65-L135 HydrophobicContact CZ-CD2 3.93Å; F87-L135 HydrophobicContact CD1-CD1 3.7Å; F87-L135 HydrophobicContact CD2-CB 3.66Å; F87-L135 HydrophobicContact CD2-CD1 3.72Å; F87-L135 HydrophobicContact CD2-CG 4.32Å; F87-L135 HydrophobicContact CE1-CD1 3.56Å; F87-L135 HydrophobicContact CE2-CB 3.86Å; F87-L135 HydrophobicContact CE2-CD1 3.59Å; F87-L135 HydrophobicContact CE2-CG 4.29Å; F87-L135 HydrophobicContact CG-CB 4.27Å; F87-L135 HydrophobicContact CG-CD1 3.77Å; F87-L135 HydrophobicContact CZ-CD1 3.52Å; S131-L135 PolarHBondContact O-N 3.39Å; S131-L135 VanDerWaalsContact O-N 3.07Å; F132-L135 PolarHBondContact O-N 3.48Å; L135-G137 VanDerWaalsContact C-N 3.3Å |
| 136 | L | 61.8 | Low | 67.5 | Low | 32 Ų | 32 | 58.3 Ų | 58.3 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -84.6 | -2.5 | -178.8 | -81.3 | 79.9 | 0 | 0 | 0 | 113.3 | W64 A68 F132 H141 | W64-L136 HydrophobicContact CE3-CD2 3.4Å; W64-L136 HydrophobicContact CE3-CG 4.33Å; W64-L136 HydrophobicContact CZ3-CD2 3.47Å; W64-L136 VanDerWaalsContact CZ3-CD2 3.47Å; A68-L136 VanDerWaalsContact CB-O 3.25Å; A68-L136 WeakPolarHBondContact CB-O 3.07Å; F132-L136 HydrophobicContact CB-CD1 4.37Å; F132-L136 WeakPolarHBondContact O-CD1 3.24Å; F132-L136 PolarHBondContact O-N 2.83Å; L136-H141 HydrophobicContact CB-CB 3.96Å; L136-H141 VanDerWaalsContact CB-ND1 3.27Å; L136-H141 WeakPolarHBondContact CB-ND1 3.4Å; L136-H141 WeakPolarHBondContact CD2-ND1 3.28Å |
| 137 | G | 61.2 | Low | 65.8 | Low | 4 Ų | 4 | 60.1 Ų | 60.1 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | trans | 80.6 | 114.7 | -171 | 0 | 0 | 0 | 0 | 0 | 110.9 | S133 L135 C139 N140 H141 | S133-G137 CarbonylContact O-C 3.55Å; S133-G137 PolarHBondContact O-N 2.75Å; L135-G137 VanDerWaalsContact C-N 3.3Å; G137-C139 VanDerWaalsContact C-N 3.28Å; G137-C139 PolarHBondContact O-N 3.37Å; G137-N140 PolarHBondContact O-N 3.42Å; G137-H141 WeakPolarHBondContact O-CB 3.13Å; G137-H141 PolarHBondContact O-N 2.85Å | ||
| 138 | P | 56.3 | Low | 64 | Low | 56 Ų | 56 | 63 Ų | 63 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.6 | -29.3 | -168.7 | 21.6 | -32.7 | 0 | 0 | 0 | 113.8 | I142 | P138-I142 VanDerWaalsContact O-CB 3.28Å; P138-I142 WeakPolarHBondContact O-CB 3.41Å; P138-I142 WeakPolarHBondContact O-CD1 3.29Å; P138-I142 WeakPolarHBondContact O-CG1 3.38Å; P138-I142 PolarHBondContact O-N 3.38Å |
| 139 | C | 53.6 | Low | 62.5 | Low | 73 Ų | 73 | 69.1 Ų | 69.1 | 49% | 0.493 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -76.3 | -45.1 | 178.4 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | D71 G137 K143 | D71-C139 WeakPolarHBondContact OD2-CB 3.49Å; G137-C139 VanDerWaalsContact C-N 3.28Å; G137-C139 PolarHBondContact O-N 3.37Å; C139-K143 WeakPolarHBondContact O-CB 3.21Å; C139-K143 PolarHBondContact O-N 3.49Å |
| 140 | N | 54.9 | Low | 61.5 | Low | 24 Ų | 24 | 76.2 Ų | 76.2 | 13% | 0.128 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -73.1 | -31.8 | 173.6 | -168.7 | 55.3 | 0 | 0 | 0 | 113.2 | Q67 D71 G137 K143 S144 | Q67-N140 VanDerWaalsContact CG-CG 3.44Å; Q67-N140 WeakPolarHBondContact CG-ND2 3.43Å; Q67-N140 VanDerWaalsContact CG-OD1 3.3Å; Q67-N140 WeakPolarHBondContact CG-OD1 3.33Å; D71-N140 PolarHBondContact OD2-N 2.82Å; G137-N140 PolarHBondContact O-N 3.42Å; N140-K143 PolarHBondContact O-N 2.89Å; N140-S144 WeakPolarHBondContact O-CA 3.29Å; N140-S144 WeakPolarHBondContact O-CB 3.27Å; N140-S144 PolarHBondContact O-N 3.07Å |
| 141 | H | 54.8 | Low | 60.2 | Low | 25 Ų | 25 | 75.7 Ų | 75.7 | 12% | 0.116 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.1 | -44.6 | 173.5 | -166.5 | 121.9 | 0 | 0 | 0 | 110 | L136 G137 L145 | L136-H141 HydrophobicContact CB-CB 3.96Å; L136-H141 VanDerWaalsContact CB-ND1 3.27Å; L136-H141 WeakPolarHBondContact CB-ND1 3.4Å; L136-H141 WeakPolarHBondContact CD2-ND1 3.28Å; G137-H141 WeakPolarHBondContact O-CB 3.13Å; G137-H141 PolarHBondContact O-N 2.85Å; H141-L145 WeakPolarHBondContact CD2-CD1 3.24Å; H141-L145 WeakPolarHBondContact CD2-CG 3.2Å; H141-L145 VanDerWaalsContact NE2-CD1 3.31Å; H141-L145 WeakPolarHBondContact NE2-CD1 3.42Å; H141-L145 WeakPolarHBondContact O-CA 3.13Å; H141-L145 WeakPolarHBondContact O-CB 3.13Å; H141-L145 WeakPolarHBondContact O-CG 3.1Å; H141-L145 PolarHBondContact O-N 3.49Å |
| 142 | I | 57.6 | Low | 59.1 | Low | 98 Ų | 98 | 83.1 Ų | 83.1 | 50% | 0.503 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67 | -39.2 | 174.4 | -69.1 | 166.5 | 0 | 0 | 0 | 111.3 | P138 L145 F146 | P138-I142 VanDerWaalsContact O-CB 3.28Å; P138-I142 WeakPolarHBondContact O-CB 3.41Å; P138-I142 WeakPolarHBondContact O-CD1 3.29Å; P138-I142 WeakPolarHBondContact O-CG1 3.38Å; P138-I142 PolarHBondContact O-N 3.38Å; I142-L145 CarbonylContact O-C 3.32Å; I142-L145 WeakPolarHBondContact O-CA 3.43Å; I142-L145 PolarHBondContact O-N 2.85Å; I142-F146 HydrophobicContact CG2-CD2 4.19Å; I142-F146 HydrophobicContact CG2-CE2 4.48Å; I142-F146 WeakPolarHBondContact O-CD2 3.19Å; I142-F146 PolarHBondContact O-N 2.99Å |
| 143 | K | 54.6 | Low | 58.4 | Low | 161 Ų | 161 | 80.3 Ų | 80.3 | 70% | 0.7 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -69.9 | -39.9 | 179.4 | -168.2 | 170.7 | -178.2 | 175.9 | 0 | 112.6 | C139 N140 L145 F146 S147 | C139-K143 WeakPolarHBondContact O-CB 3.21Å; C139-K143 PolarHBondContact O-N 3.49Å; N140-K143 PolarHBondContact O-N 2.89Å; K143-L145 VanDerWaalsContact C-N 3.34Å; K143-F146 PolarHBondContact O-N 2.82Å; K143-S147 PolarHBondContact O-N 3.45Å |
| 144 | S | 51.5 | Low | 58.1 | Low | 47 Ų | 47 | 81.3 Ų | 81.3 | 33% | 0.329 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -72.5 | -28.4 | 170.1 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | N140 F146 S147 | N140-S144 WeakPolarHBondContact O-CA 3.29Å; N140-S144 WeakPolarHBondContact O-CB 3.27Å; N140-S144 PolarHBondContact O-N 3.07Å; S144-F146 PolarHBondContact O-N 3.43Å; S144-S147 PolarHBondContact O-N 2.8Å |
| 145 | L | 51.5 | Low | 57.9 | Low | 55 Ų | 55 | 81.9 Ų | 81.9 | 29% | 0.288 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 1.6 | 170.1 | -77 | -172.2 | 0 | 0 | 0 | 113.7 | H141 I142 K143 L151 T154 | H141-L145 WeakPolarHBondContact CD2-CD1 3.24Å; H141-L145 WeakPolarHBondContact CD2-CG 3.2Å; H141-L145 VanDerWaalsContact NE2-CD1 3.31Å; H141-L145 WeakPolarHBondContact NE2-CD1 3.42Å; H141-L145 WeakPolarHBondContact O-CA 3.13Å; H141-L145 WeakPolarHBondContact O-CB 3.13Å; H141-L145 WeakPolarHBondContact O-CG 3.1Å; H141-L145 PolarHBondContact O-N 3.49Å; I142-L145 CarbonylContact O-C 3.32Å; I142-L145 WeakPolarHBondContact O-CA 3.43Å; I142-L145 PolarHBondContact O-N 2.85Å; K143-L145 VanDerWaalsContact C-N 3.34Å; L145-L151 VanDerWaalsContact C-CD2 3.46Å; L145-L151 HydrophobicContact CB-CD2 3.89Å; L145-L151 HydrophobicContact CD2-CD2 3.37Å; L145-L151 HydrophobicContact CG-CD2 4.19Å; L145-L151 WeakPolarHBondContact O-CB 3.25Å; L145-L151 WeakPolarHBondContact O-CD1 3.24Å; L145-L151 WeakPolarHBondContact O-CD2 3.36Å; L145-L151 VanDerWaalsContact O-CG 3.27Å; L145-L151 WeakPolarHBondContact O-CG 3.35Å; L145-T154 HydrophobicContact CD2-CG2 4.44Å |
| 146 | F | 53.8 | Low | 58.1 | Low | 163 Ų | 163 | 82.2 Ų | 82.2 | 72% | 0.715 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.6 | 0.6 | 169.4 | -98.6 | -93.6 | 0 | 0 | 0 | 113.1 | I142 K143 S144 T148 L151 | I142-F146 HydrophobicContact CG2-CD2 4.19Å; I142-F146 HydrophobicContact CG2-CE2 4.48Å; I142-F146 WeakPolarHBondContact O-CD2 3.19Å; I142-F146 PolarHBondContact O-N 2.99Å; K143-F146 PolarHBondContact O-N 2.82Å; S144-F146 PolarHBondContact O-N 3.43Å; F146-T148 PolarHBondContact O-N 3.3Å; F146-T148 VanDerWaalsContact O-N 3.12Å; F146-L151 VanDerWaalsContact CA-CD1 3.44Å; F146-L151 VanDerWaalsContact N-CD1 3.32Å |
| 147 | S | 51.2 | Low | 58.7 | Low | 84 Ų | 84 | 82.5 Ų | 82.5 | 59% | 0.587 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -80.1 | 80.7 | 171.7 | -161.4 | 0 | 0 | 0 | 0 | 114.4 | K143 S144 E149 L151 | K143-S147 PolarHBondContact O-N 3.45Å; S144-S147 PolarHBondContact O-N 2.8Å; S147-E149 PolarHBondContact O-N 3.49Å; S147-L151 WeakPolarHBondContact O-CD1 3.34Å |
| 148 | T | 49.5 | Very low | 59.4 | Low | 106 Ų | 106 | 84 Ų | 84 | 65% | 0.65 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 30.7 | -34.1 | 161.7 | -40.1 | 0 | 0 | 0 | 0 | 124.2 | F146 | F146-T148 PolarHBondContact O-N 3.3Å; F146-T148 VanDerWaalsContact O-N 3.12Å |
| 149 | E | 57.3 | Low | 60.4 | Low | 187 Ų | 187 | 85.7 Ų | 85.7 | 87% | 0.874 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -23.2 | -164.1 | -98.1 | -177.7 | 125.2 | 0 | 0 | 117.2 | S147 | S147-E149 PolarHBondContact O-N 3.49Š|
| 150 | R | 61.3 | Low | 61.5 | Low | 192 Ų | 192 | 83.3 Ų | 83.3 | 73% | 0.725 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -128.9 | 7.9 | -177.2 | -64.7 | -176.5 | -176.9 | -177.8 | 0.9 | 114.5 | F153 | R150-F153 WeakPolarHBondContact O-CB 3.12Š|
| 151 | L | 55.3 | Low | 62.5 | Low | 23 Ų | 23 | 82.1 Ų | 82.1 | 12% | 0.12 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -97.3 | -29.4 | -163.2 | -61.8 | 163.8 | 0 | 0 | 0 | 113.3 | L145 F146 S147 F153 T154 L155 | L145-L151 VanDerWaalsContact C-CD2 3.46Å; L145-L151 HydrophobicContact CB-CD2 3.89Å; L145-L151 HydrophobicContact CD2-CD2 3.37Å; L145-L151 HydrophobicContact CG-CD2 4.19Å; L145-L151 WeakPolarHBondContact O-CB 3.25Å; L145-L151 WeakPolarHBondContact O-CD1 3.24Å; L145-L151 WeakPolarHBondContact O-CD2 3.36Å; L145-L151 VanDerWaalsContact O-CG 3.27Å; L145-L151 WeakPolarHBondContact O-CG 3.35Å; F146-L151 VanDerWaalsContact CA-CD1 3.44Å; F146-L151 VanDerWaalsContact N-CD1 3.32Å; S147-L151 WeakPolarHBondContact O-CD1 3.34Å; L151-F153 PolarHBondContact O-N 3.49Å; L151-T154 PolarHBondContact O-N 2.86Å; L151-L155 WeakPolarHBondContact O-CB 3.16Å; L151-L155 PolarHBondContact O-N 3.44Å |
| 152 | F | 61 | Low | 63.7 | Low | 156 Ų | 156 | 86 Ų | 86 | 68% | 0.684 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -53.1 | -36.3 | 164.2 | -65.3 | -71.5 | 0 | 0 | 0 | 110.6 | S156 | F152-S156 WeakPolarHBondContact O-CA 3.37Å; F152-S156 WeakPolarHBondContact O-CB 3.14Å; F152-S156 PolarHBondContact O-N 3.19Å |
| 153 | F | 65 | Low | 64.4 | Low | 40 Ų | 40 | 83.3 Ų | 83.3 | 18% | 0.175 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66.3 | -56.2 | 176.1 | -172.6 | -83.9 | 0 | 0 | 0 | 112.2 | R150 L151 L155 S156 Y157 L187 W190 Q191 | R150-F153 WeakPolarHBondContact O-CB 3.12Å; L151-F153 PolarHBondContact O-N 3.49Å; F153-L155 PolarHBondContact O-N 3.33Å; F153-S156 PolarHBondContact O-N 2.79Å; F153-Y157 PolarHBondContact O-N 3.26Å; F153-L187 WeakPolarHBondContact CZ-O 3.16Å; F153-W190 AromaticContact CE2-CD1 3.84Å; F153-Q191 HydrophobicContact CD1-CB 4.28Å; F153-Q191 HydrophobicContact CD1-CG 3.75Å; F153-Q191 HydrophobicContact CE1-CB 3.36Å; F153-Q191 HydrophobicContact CE1-CG 3.2Å; F153-Q191 HydrophobicContact CE2-CB 3.98Å; F153-Q191 HydrophobicContact CE2-CG 4.43Å; F153-Q191 HydrophobicContact CZ-CB 3.21Å; F153-Q191 HydrophobicContact CZ-CG 3.65Å; F153-Q191 VanDerWaalsContact CZ-OE1 3.24Å |
| 154 | T | 67 | Low | 65.3 | Low | 45 Ų | 45 | 75.8 Ų | 75.8 | 28% | 0.276 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | -177.9 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | L145 L151 Y157 L158 | L145-T154 HydrophobicContact CD2-CG2 4.44Å; L151-T154 PolarHBondContact O-N 2.86Å; T154-Y157 WeakPolarHBondContact O-CB 3.4Å; T154-Y157 PolarHBondContact O-N 3.37Å; T154-L158 HydrophobicContact CG2-CD1 3.86Å; T154-L158 WeakPolarHBondContact O-CD1 3.27Å; T154-L158 PolarHBondContact O-N 3.48Å |
| 155 | L | 69.1 | Low | 66.3 | Low | 96 Ų | 96 | 75.6 Ų | 75.6 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 176.8 | -170.5 | 66.5 | 0 | 0 | 0 | 111.1 | L151 F153 Y157 L158 V159 | L151-L155 WeakPolarHBondContact O-CB 3.16Å; L151-L155 PolarHBondContact O-N 3.44Å; F153-L155 PolarHBondContact O-N 3.33Å; L155-Y157 VanDerWaalsContact C-N 3.32Å; L155-Y157 PolarHBondContact O-N 2.78Å; L155-L158 PolarHBondContact O-N 3.39Å; L155-V159 HydrophobicContact CG-CG2 4.35Å; L155-V159 WeakPolarHBondContact O-CB 3.31Å; L155-V159 WeakPolarHBondContact O-CG2 3.34Å; L155-V159 PolarHBondContact O-N 3Å |
| 156 | S | 72 | Confident | 67.6 | Low | 60 Ų | 60 | 80.8 Ų | 80.8 | 42% | 0.42 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 173.9 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | F152 F153 V159 S160 | F152-S156 WeakPolarHBondContact O-CA 3.37Å; F152-S156 WeakPolarHBondContact O-CB 3.14Å; F152-S156 PolarHBondContact O-N 3.19Å; F153-S156 PolarHBondContact O-N 2.79Å; S156-V159 PolarHBondContact O-N 2.98Å; S156-S160 WeakPolarHBondContact O-CB 3.12Å; S156-S160 PolarHBondContact O-N 3.29Å |
| 157 | Y | 74 | Confident | 68.3 | Low | 37 Ų | 37 | 73.1 Ų | 73.1 | 15% | 0.145 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 173.1 | 178.6 | -110.7 | 0 | 0 | 0 | 112 | I129 F153 T154 L155 S160 L161 L187 V188 | I129-Y157 HydrophobicContact CD1-CD1 4.24Å; I129-Y157 HydrophobicContact CD1-CE1 3.96Å; F153-Y157 PolarHBondContact O-N 3.26Å; T154-Y157 WeakPolarHBondContact O-CB 3.4Å; T154-Y157 PolarHBondContact O-N 3.37Å; L155-Y157 VanDerWaalsContact C-N 3.32Å; L155-Y157 PolarHBondContact O-N 2.78Å; Y157-S160 PolarHBondContact O-N 2.91Å; Y157-L161 HydrophobicContact CD1-CD1 3.9Å; Y157-L161 HydrophobicContact CD1-CG 4.46Å; Y157-L161 HydrophobicContact CE1-CD1 3.4Å; Y157-L161 HydrophobicContact CE1-CG 4.07Å; Y157-L161 HydrophobicContact CE2-CD1 4.48Å; Y157-L161 HydrophobicContact CE2-CD2 4.49Å; Y157-L161 HydrophobicContact CE2-CG 4.28Å; Y157-L161 WeakPolarHBondContact O-CG 3.37Å; Y157-L161 PolarHBondContact O-N 3.35Å; Y157-L187 HydrophobicContact CD2-CB 4.37Å; Y157-V188 HydrophobicContact CD2-CG2 4.18Å; Y157-V188 HydrophobicContact CE2-CG2 3.47Å; Y157-V188 VanDerWaalsContact CE2-CG2 3.47Å |
| 158 | L | 76.2 | Confident | 69.1 | Low | 36 Ų | 36 | 69.5 Ų | 69.5 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 175.2 | -92.6 | 71.4 | 0 | 0 | 0 | 111.5 | I129 T154 L155 S160 L161 F162 | I129-L158 HydrophobicContact CD1-CD1 3.62Å; I129-L158 HydrophobicContact CD1-CG 4.27Å; I129-L158 HydrophobicContact CG2-CD1 4.35Å; T154-L158 HydrophobicContact CG2-CD1 3.86Å; T154-L158 WeakPolarHBondContact O-CD1 3.27Å; T154-L158 PolarHBondContact O-N 3.48Å; L155-L158 PolarHBondContact O-N 3.39Å; L158-S160 VanDerWaalsContact C-N 3.25Å; L158-S160 PolarHBondContact O-N 3.25Å; L158-L161 CarbonylContact O-C 3.32Å; L158-L161 WeakPolarHBondContact O-CA 2.94Å; L158-L161 WeakPolarHBondContact O-CB 3.48Å; L158-L161 PolarHBondContact O-N 2.96Å; L158-L161 VanDerWaalsContact O-N 3.09Å; L158-F162 HydrophobicContact CB-CD2 4.46Å; L158-F162 HydrophobicContact CB-CE2 4.5Å; L158-F162 WeakPolarHBondContact O-CD2 3.44Å; L158-F162 PolarHBondContact O-N 3.39Å |
| 159 | V | 76.5 | Confident | 70.1 | Confident | 91 Ų | 91 | 69.1 Ų | 69.1 | 55% | 0.552 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.8 | -38.1 | 177.1 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | L155 S156 G163 | L155-V159 HydrophobicContact CG-CG2 4.35Å; L155-V159 WeakPolarHBondContact O-CB 3.31Å; L155-V159 WeakPolarHBondContact O-CG2 3.34Å; L155-V159 PolarHBondContact O-N 3Å; S156-V159 PolarHBondContact O-N 2.98Å; V159-G163 WeakPolarHBondContact O-CA 3.19Å; V159-G163 PolarHBondContact O-N 3.23Å |
| 160 | S | 77.9 | Confident | 70.9 | Confident | 23 Ų | 23 | 64.2 Ų | 64.2 | 16% | 0.161 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.7 | -34 | 174.1 | -170.3 | 0 | 0 | 0 | 0 | 112.8 | S156 Y157 L158 G164 Q184 L187 | S156-S160 WeakPolarHBondContact O-CB 3.12Å; S156-S160 PolarHBondContact O-N 3.29Å; Y157-S160 PolarHBondContact O-N 2.91Å; L158-S160 VanDerWaalsContact C-N 3.25Å; L158-S160 PolarHBondContact O-N 3.25Å; S160-G164 PolarHBondContact O-N 3.49Å; S160-Q184 PolarHBondContact O-NE2 3.4Å; S160-L187 WeakPolarHBondContact OG-CD1 3.28Å |
| 161 | L | 75.3 | Confident | 71.1 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.1 | -51.2 | 171.4 | -76.8 | 174.2 | 0 | 0 | 0 | 111.5 | T122 I126 I129 Y157 L158 G163 G164 L165 Q184 | T122-L161 HydrophobicContact CG2-CD2 3.92Å; I126-L161 HydrophobicContact CG1-CD1 4.32Å; I129-L161 HydrophobicContact CD1-CD1 3.92Å; Y157-L161 HydrophobicContact CD1-CD1 3.9Å; Y157-L161 HydrophobicContact CD1-CG 4.46Å; Y157-L161 HydrophobicContact CE1-CD1 3.4Å; Y157-L161 HydrophobicContact CE1-CG 4.07Å; Y157-L161 HydrophobicContact CE2-CD1 4.48Å; Y157-L161 HydrophobicContact CE2-CD2 4.49Å; Y157-L161 HydrophobicContact CE2-CG 4.28Å; Y157-L161 WeakPolarHBondContact O-CG 3.37Å; Y157-L161 PolarHBondContact O-N 3.35Å; L158-L161 CarbonylContact O-C 3.32Å; L158-L161 WeakPolarHBondContact O-CA 2.94Å; L158-L161 WeakPolarHBondContact O-CB 3.48Å; L158-L161 PolarHBondContact O-N 2.96Å; L158-L161 VanDerWaalsContact O-N 3.09Å; L161-G163 VanDerWaalsContact C-N 3.35Å; L161-G164 PolarHBondContact O-N 3.35Å; L161-L165 WeakPolarHBondContact O-CB 3.22Å; L161-L165 PolarHBondContact O-N 3.18Å; L161-Q184 HydrophobicContact CD2-CG 4.33Å |
| 162 | F | 80.9 | Confident | 71.8 | Confident | 107 Ų | 107 | 68.9 Ų | 68.9 | 47% | 0.469 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 177.6 | -77.8 | -69.9 | 0 | 0 | 0 | 111.7 | I126 L158 G164 L165 Y166 | I126-F162 HydrophobicContact CD1-CD1 4.48Å; I126-F162 HydrophobicContact CD1-CE1 4.11Å; I126-F162 HydrophobicContact CD1-CZ 4.27Å; L158-F162 HydrophobicContact CB-CD2 4.46Å; L158-F162 HydrophobicContact CB-CE2 4.5Å; L158-F162 WeakPolarHBondContact O-CD2 3.44Å; L158-F162 PolarHBondContact O-N 3.39Å; F162-G164 VanDerWaalsContact C-N 3.34Å; F162-L165 PolarHBondContact O-N 3.47Å; F162-Y166 WeakPolarHBondContact O-CB 3.35Å; F162-Y166 PolarHBondContact O-N 3.49Å |
| 163 | G | 72.4 | Confident | 72.3 | Confident | 40 Ų | 40 | 63.8 Ų | 63.8 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V159 L161 Y166 A167 | V159-G163 WeakPolarHBondContact O-CA 3.19Å; V159-G163 PolarHBondContact O-N 3.23Å; L161-G163 VanDerWaalsContact C-N 3.35Å; G163-Y166 PolarHBondContact O-N 3.07Å; G163-A167 WeakPolarHBondContact O-CB 3.45Å; G163-A167 PolarHBondContact O-N 2.8Å |
| 164 | G | 72.3 | Confident | 72.5 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.3 | -35.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | S160 L161 F162 A167 V168 | S160-G164 PolarHBondContact O-N 3.49Å; L161-G164 PolarHBondContact O-N 3.35Å; F162-G164 VanDerWaalsContact C-N 3.34Å; G164-A167 WeakPolarHBondContact O-CB 3.2Å; G164-V168 VanDerWaalsContact O-CG2 3.25Å; G164-V168 WeakPolarHBondContact O-CG2 3.23Å; G164-V168 PolarHBondContact O-N 3.26Å; G164-V168 VanDerWaalsContact O-N 3.16Å |
| 165 | L | 72.6 | Confident | 73 | Confident | 44 Ų | 44 | 66.7 Ų | 66.7 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.2 | -49.3 | 173.2 | 178.9 | 59.6 | 0 | 0 | 0 | 110.8 | L119 I126 L161 F162 A167 V168 V169 | L119-L165 HydrophobicContact CD2-CD1 3.23Å; I126-L165 HydrophobicContact CD1-CD2 4.37Å; L161-L165 WeakPolarHBondContact O-CB 3.22Å; L161-L165 PolarHBondContact O-N 3.18Å; F162-L165 PolarHBondContact O-N 3.47Å; L165-A167 VanDerWaalsContact C-N 3.25Å; L165-A167 PolarHBondContact O-N 2.86Å; L165-V168 PolarHBondContact O-N 2.79Å; L165-V168 VanDerWaalsContact O-N 3.14Å; L165-V169 HydrophobicContact CD1-CG2 4.09Å; L165-V169 HydrophobicContact CG-CG2 4.48Å; L165-V169 WeakPolarHBondContact O-CB 3.27Å; L165-V169 VanDerWaalsContact O-CG2 3.3Å; L165-V169 WeakPolarHBondContact O-CG2 3.35Å; L165-V169 PolarHBondContact O-N 3.13Å |
| 166 | Y | 78.8 | Confident | 73.2 | Confident | 163 Ų | 163 | 65.6 Ų | 65.6 | 64% | 0.639 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.7 | -41.8 | 177.3 | -172.2 | -99.1 | 0 | 0 | 0 | 110.7 | F162 G163 V168 V169 V170 | F162-Y166 WeakPolarHBondContact O-CB 3.35Å; F162-Y166 PolarHBondContact O-N 3.49Å; G163-Y166 PolarHBondContact O-N 3.07Å; Y166-V168 PolarHBondContact O-N 3.39Å; Y166-V169 PolarHBondContact O-N 2.96Å; Y166-V170 HydrophobicContact CD1-CG2 4.01Å; Y166-V170 HydrophobicContact CD2-CG2 3.87Å; Y166-V170 HydrophobicContact CE1-CB 4.33Å; Y166-V170 HydrophobicContact CE1-CG2 3.77Å; Y166-V170 HydrophobicContact CE2-CG2 3.62Å; Y166-V170 HydrophobicContact CG-CG2 4.06Å; Y166-V170 WeakPolarHBondContact O-CB 2.92Å; Y166-V170 VanDerWaalsContact O-CG2 3.26Å; Y166-V170 WeakPolarHBondContact O-CG2 3.22Å; Y166-V170 PolarHBondContact O-N 3.23Å |
| 167 | A | 69.1 | Low | 73.3 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 3% | 0.025 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.1 | -49.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G163 G164 L165 W171 F176 | G163-A167 WeakPolarHBondContact O-CB 3.45Å; G163-A167 PolarHBondContact O-N 2.8Å; G164-A167 WeakPolarHBondContact O-CB 3.2Å; L165-A167 VanDerWaalsContact C-N 3.25Å; L165-A167 PolarHBondContact O-N 2.86Å; A167-W171 VanDerWaalsContact O-CB 3.3Å; A167-W171 WeakPolarHBondContact O-CB 3.04Å; A167-W171 PolarHBondContact O-N 3.07Å; A167-F176 VanDerWaalsContact CA-CD1 3.48Å; A167-F176 HydrophobicContact CB-CD1 3.14Å; A167-F176 HydrophobicContact CB-CE1 2.91Å; A167-F176 HydrophobicContact CB-CG 4.17Å; A167-F176 HydrophobicContact CB-CZ 3.78Å |
| 168 | V | 68.5 | Low | 73.6 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.4 | -40.9 | -178.8 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | R115 V118 L119 G164 L165 Y166 Q172 S177 | R115-V168 HydrophobicContact CB-CG1 4.27Å; V118-V168 HydrophobicContact CB-CG2 4.25Å; V118-V168 HydrophobicContact CG1-CG2 3.82Å; L119-V168 HydrophobicContact CD1-CG1 4.3Å; L119-V168 HydrophobicContact CD2-CB 4.17Å; L119-V168 HydrophobicContact CD2-CG1 3.78Å; L119-V168 HydrophobicContact CG-CG1 3.82Å; G164-V168 VanDerWaalsContact O-CG2 3.25Å; G164-V168 WeakPolarHBondContact O-CG2 3.23Å; G164-V168 PolarHBondContact O-N 3.26Å; G164-V168 VanDerWaalsContact O-N 3.16Å; L165-V168 PolarHBondContact O-N 2.79Å; L165-V168 VanDerWaalsContact O-N 3.14Å; Y166-V168 PolarHBondContact O-N 3.39Å; V168-Q172 PolarHBondContact O-N 2.98Å; V168-S177 WeakPolarHBondContact CG2-OG 3.38Å |
| 169 | V | 69.7 | Low | 73.9 | Confident | 99 Ų | 99 | 65.3 Ų | 65.3 | 60% | 0.6 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -70.6 | -43.3 | -178.7 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | L119 L165 Y166 | L119-V169 HydrophobicContact CD2-CG2 4.15Å; L165-V169 HydrophobicContact CD1-CG2 4.09Å; L165-V169 HydrophobicContact CG-CG2 4.48Å; L165-V169 WeakPolarHBondContact O-CB 3.27Å; L165-V169 VanDerWaalsContact O-CG2 3.3Å; L165-V169 WeakPolarHBondContact O-CG2 3.35Å; L165-V169 PolarHBondContact O-N 3.13Å; Y166-V169 PolarHBondContact O-N 2.96Å |
| 170 | V | 73.4 | Confident | 74 | Confident | 83 Ų | 83 | 61.6 Ų | 61.6 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -83.9 | -45.8 | -174.4 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | Y166 | Y166-V170 HydrophobicContact CD1-CG2 4.01Å; Y166-V170 HydrophobicContact CD2-CG2 3.87Å; Y166-V170 HydrophobicContact CE1-CB 4.33Å; Y166-V170 HydrophobicContact CE1-CG2 3.77Å; Y166-V170 HydrophobicContact CE2-CG2 3.62Å; Y166-V170 HydrophobicContact CG-CG2 4.06Å; Y166-V170 WeakPolarHBondContact O-CB 2.92Å; Y166-V170 VanDerWaalsContact O-CG2 3.26Å; Y166-V170 WeakPolarHBondContact O-CG2 3.22Å; Y166-V170 PolarHBondContact O-N 3.23Å |
| 171 | W | 66.2 | Low | 74.1 | Confident | 179 Ų | 179 | 61.7 Ų | 61.7 | 68% | 0.678 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -92.1 | -10.6 | -170.4 | -128 | -42.8 | 0 | 0 | 0 | 113.9 | A167 S173 F176 | A167-W171 VanDerWaalsContact O-CB 3.3Å; A167-W171 WeakPolarHBondContact O-CB 3.04Å; A167-W171 PolarHBondContact O-N 3.07Å; W171-S173 PolarHBondContact O-N 2.82Å; W171-F176 HydrophobicContact CB-CD1 3.8Å; W171-F176 HydrophobicContact CB-CE1 4.49Å; W171-F176 HydrophobicContact CB-CG 4.5Å; W171-F176 HydrophobicContact CD2-CD1 4.16Å; W171-F176 HydrophobicContact CD2-CE1 4.32Å; W171-F176 AromaticContact CE3-CD1 3.62Å; W171-F176 HydrophobicContact CE3-CD1 3.62Å; W171-F176 AromaticContact CE3-CE1 3.35Å; W171-F176 HydrophobicContact CE3-CE1 3.35Å; W171-F176 HydrophobicContact CE3-CE2 4.33Å; W171-F176 HydrophobicContact CE3-CG 4.23Å; W171-F176 AromaticContact CE3-CZ 3.8Å; W171-F176 HydrophobicContact CE3-CZ 3.8Å; W171-F176 HydrophobicContact CG-CD1 4.29Å; W171-F176 HydrophobicContact CZ3-CD1 4.49Å; W171-F176 AromaticContact CZ3-CE1 3.94Å; W171-F176 HydrophobicContact CZ3-CE1 3.94Å; W171-F176 HydrophobicContact CZ3-CE2 4.32Å; W171-F176 AromaticContact CZ3-CZ 3.9Å; W171-F176 HydrophobicContact CZ3-CZ 3.9Å |
| 172 | Q | 70.4 | Confident | 74.5 | Confident | 135 Ų | 135 | 66.2 Ų | 66.2 | 63% | 0.631 | 34% | 0.343 | S | S | * | . | trans | 49.9 | 4.7 | 176.7 | -136.6 | -160.5 | -18.8 | 0 | 0 | 117 | R115 V168 | R115-Q172 WeakPolarHBondContact CD-O 3.36Å; R115-Q172 PolarHBondContact NH1-O 3.16Å; V168-Q172 PolarHBondContact O-N 2.98Å | ||
| 173 | S | 70.3 | Confident | 74.6 | Confident | 48 Ų | 48 | 63.8 Ų | 63.8 | 34% | 0.336 | 34% | 0.339 | S | S | . | . | trans | -96.5 | 133 | -172.6 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | W171 I175 F176 S177 | W171-S173 PolarHBondContact O-N 2.82Å; S173-I175 PolarHBondContact O-N 2.96Å; S173-F176 PolarHBondContact O-N 3.35Å; S173-S177 PolarHBondContact O-N 3.44Å | ||
| 174 | A | 71 | Confident | 75.1 | Confident | 21 Ų | 21 | 61.9 Ų | 61.9 | 17% | 0.174 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.9 | -30.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P111 M114 S177 A178 | P111-A174 HydrophobicContact CB-CB 4.5Å; M114-A174 HydrophobicContact CE-CB 3.83Å; M114-A174 WeakPolarHBondContact CE-O 2.98Å; A174-S177 WeakPolarHBondContact O-CB 3.38Å; A174-A178 PolarHBondContact O-N 3Å |
| 175 | I | 76 | Confident | 75.7 | Confident | 125 Ų | 125 | 66 Ų | 66 | 64% | 0.641 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.5 | -46.6 | -178.4 | -58.5 | 168.5 | 0 | 0 | 0 | 110.3 | S173 S177 A178 L179 | S173-I175 PolarHBondContact O-N 2.96Å; I175-S177 VanDerWaalsContact C-N 3.32Å; I175-S177 PolarHBondContact O-N 2.98Å; I175-A178 PolarHBondContact O-N 3.22Å; I175-L179 HydrophobicContact CG2-CD1 4.37Å; I175-L179 WeakPolarHBondContact O-CG 3.46Å; I175-L179 PolarHBondContact O-N 2.99Å |
| 176 | F | 73.8 | Confident | 76.3 | Confident | 74 Ų | 74 | 67.6 Ų | 67.6 | 33% | 0.325 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.7 | -36.7 | -178.4 | -163.2 | -130.8 | 0 | 0 | 0 | 111.6 | A167 W171 S173 A178 L179 A180 | A167-F176 VanDerWaalsContact CA-CD1 3.48Å; A167-F176 HydrophobicContact CB-CD1 3.14Å; A167-F176 HydrophobicContact CB-CE1 2.91Å; A167-F176 HydrophobicContact CB-CG 4.17Å; A167-F176 HydrophobicContact CB-CZ 3.78Å; W171-F176 HydrophobicContact CB-CD1 3.8Å; W171-F176 HydrophobicContact CB-CE1 4.49Å; W171-F176 HydrophobicContact CB-CG 4.5Å; W171-F176 HydrophobicContact CD2-CD1 4.16Å; W171-F176 HydrophobicContact CD2-CE1 4.32Å; W171-F176 AromaticContact CE3-CD1 3.62Å; W171-F176 HydrophobicContact CE3-CD1 3.62Å; W171-F176 AromaticContact CE3-CE1 3.35Å; W171-F176 HydrophobicContact CE3-CE1 3.35Å; W171-F176 HydrophobicContact CE3-CE2 4.33Å; W171-F176 HydrophobicContact CE3-CG 4.23Å; W171-F176 AromaticContact CE3-CZ 3.8Å; W171-F176 HydrophobicContact CE3-CZ 3.8Å; W171-F176 HydrophobicContact CG-CD1 4.29Å; W171-F176 HydrophobicContact CZ3-CD1 4.49Å; W171-F176 AromaticContact CZ3-CE1 3.94Å; W171-F176 HydrophobicContact CZ3-CE1 3.94Å; W171-F176 HydrophobicContact CZ3-CE2 4.32Å; W171-F176 AromaticContact CZ3-CZ 3.9Å; W171-F176 HydrophobicContact CZ3-CZ 3.9Å; S173-F176 PolarHBondContact O-N 3.35Å; F176-A178 VanDerWaalsContact C-N 3.34Å; F176-A178 PolarHBondContact O-N 3.07Å; F176-L179 PolarHBondContact O-N 3.28Å; F176-A180 WeakPolarHBondContact O-CB 3.38Å; F176-A180 PolarHBondContact O-N 3.3Å |
| 177 | S | 75.1 | Confident | 76.4 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.9 | -45 | 170.6 | -167.2 | 0 | 0 | 0 | 0 | 112.5 | V118 V168 S173 A174 I175 L181 | V118-S177 VanDerWaalsContact CB-OG 3.31Å; V118-S177 WeakPolarHBondContact CB-OG 3.18Å; V118-S177 WeakPolarHBondContact CG2-OG 3.48Å; V168-S177 WeakPolarHBondContact CG2-OG 3.38Å; S173-S177 PolarHBondContact O-N 3.44Å; A174-S177 WeakPolarHBondContact O-CB 3.38Å; I175-S177 VanDerWaalsContact C-N 3.32Å; I175-S177 PolarHBondContact O-N 2.98Å; S177-L181 PolarHBondContact O-N 3.21Å; S177-L181 VanDerWaalsContact O-N 3.08Å |
| 178 | A | 79.4 | Confident | 76.9 | Confident | 27 Ų | 27 | 63.9 Ų | 63.9 | 22% | 0.223 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.5 | -43.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M114 A174 I175 F176 A180 L181 I182 | M114-A178 HydrophobicContact CE-CB 4.06Å; A174-A178 PolarHBondContact O-N 3Å; I175-A178 PolarHBondContact O-N 3.22Å; F176-A178 VanDerWaalsContact C-N 3.34Å; F176-A178 PolarHBondContact O-N 3.07Å; A178-A180 VanDerWaalsContact C-N 3.33Å; A178-A180 PolarHBondContact O-N 3.39Å; A178-L181 PolarHBondContact O-N 3.03Å; A178-I182 WeakPolarHBondContact O-CD1 3.43Å; A178-I182 VanDerWaalsContact O-CG1 3.22Å; A178-I182 WeakPolarHBondContact O-CG1 3.27Å; A178-I182 PolarHBondContact O-N 3.45Å |
| 179 | L | 82.6 | Confident | 77.5 | Confident | 100 Ų | 100 | 67 Ų | 67 | 52% | 0.524 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 176.6 | -69.4 | 175.3 | 0 | 0 | 0 | 112.1 | I175 F176 I182 S183 | I175-L179 HydrophobicContact CG2-CD1 4.37Å; I175-L179 WeakPolarHBondContact O-CG 3.46Å; I175-L179 PolarHBondContact O-N 2.99Å; F176-L179 PolarHBondContact O-N 3.28Å; L179-I182 PolarHBondContact O-N 2.7Å; L179-S183 WeakPolarHBondContact O-CB 3.39Å; L179-S183 PolarHBondContact O-N 2.87Å |
| 180 | A | 78.3 | Confident | 78.1 | Confident | 13 Ų | 13 | 70.5 Ų | 70.5 | 11% | 0.107 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F176 A178 S183 Q184 | F176-A180 WeakPolarHBondContact O-CB 3.38Å; F176-A180 PolarHBondContact O-N 3.3Å; A178-A180 VanDerWaalsContact C-N 3.33Å; A178-A180 PolarHBondContact O-N 3.39Å; A180-S183 WeakPolarHBondContact O-CB 3.36Å; A180-S183 PolarHBondContact O-N 3.43Å; A180-Q184 VanDerWaalsContact O-CG 3.3Å; A180-Q184 WeakPolarHBondContact O-CG 3.49Å; A180-Q184 PolarHBondContact O-N 3.43Å |
| 181 | L | 81 | Confident | 78.1 | Confident | 25 Ų | 25 | 69 Ų | 69 | 13% | 0.131 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 177.1 | -177.2 | 71.3 | 0 | 0 | 0 | 111.9 | Y117 V118 S177 A178 S183 Q184 I185 | Y117-L181 HydrophobicContact CD1-CD2 4.08Å; Y117-L181 HydrophobicContact CE1-CD1 4.01Å; Y117-L181 HydrophobicContact CE1-CD2 3.56Å; Y117-L181 HydrophobicContact CE1-CG 4.43Å; V118-L181 HydrophobicContact CG2-CB 4.07Å; V118-L181 HydrophobicContact CG2-CD1 4.42Å; V118-L181 HydrophobicContact CG2-CD2 4.21Å; V118-L181 HydrophobicContact CG2-CG 4.47Å; S177-L181 PolarHBondContact O-N 3.21Å; S177-L181 VanDerWaalsContact O-N 3.08Å; A178-L181 PolarHBondContact O-N 3.03Å; L181-S183 VanDerWaalsContact C-N 3.33Å; L181-S183 PolarHBondContact O-N 2.73Å; L181-Q184 WeakPolarHBondContact O-CB 3.11Å; L181-Q184 PolarHBondContact O-N 2.75Å; L181-I185 HydrophobicContact CG-CD1 4.09Å; L181-I185 VanDerWaalsContact O-CG1 3.31Å; L181-I185 WeakPolarHBondContact O-CG1 3.02Å; L181-I185 PolarHBondContact O-N 2.94Å |
| 182 | I | 83.9 | Confident | 78.6 | Confident | 95 Ų | 95 | 64.6 Ų | 64.6 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 175.5 | -68.3 | 162.2 | 0 | 0 | 0 | 110.2 | A178 L179 Q184 I185 C186 | A178-I182 WeakPolarHBondContact O-CD1 3.43Å; A178-I182 VanDerWaalsContact O-CG1 3.22Å; A178-I182 WeakPolarHBondContact O-CG1 3.27Å; A178-I182 PolarHBondContact O-N 3.45Å; L179-I182 PolarHBondContact O-N 2.7Å; I182-Q184 VanDerWaalsContact C-N 3.34Å; I182-Q184 PolarHBondContact O-N 2.97Å; I182-I185 PolarHBondContact O-N 2.96Å; I182-C186 WeakPolarHBondContact O-CB 3.04Å; I182-C186 PolarHBondContact O-N 2.94Å; I182-C186 PolarHBondContact O-SG 3.5Å; I182-C186 VanDerWaalsContact O-SG 3.34Å |
| 183 | S | 82 | Confident | 78.9 | Confident | 55 Ų | 55 | 62.7 Ų | 62.7 | 39% | 0.385 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60 | -42.4 | 175.9 | -175.9 | 0 | 0 | 0 | 0 | 112.2 | L179 A180 L181 C186 L187 | L179-S183 WeakPolarHBondContact O-CB 3.39Å; L179-S183 PolarHBondContact O-N 2.87Å; A180-S183 WeakPolarHBondContact O-CB 3.36Å; A180-S183 PolarHBondContact O-N 3.43Å; L181-S183 VanDerWaalsContact C-N 3.33Å; L181-S183 PolarHBondContact O-N 2.73Å; S183-C186 PolarHBondContact O-N 3.47Å; S183-L187 WeakPolarHBondContact O-CG 3.14Å; S183-L187 PolarHBondContact O-N 2.8Å |
| 184 | Q | 83.7 | Confident | 79.1 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 174.9 | -71.8 | 166.9 | 7 | 0 | 0 | 111.7 | S160 L161 A180 L181 I182 C186 L187 V188 | S160-Q184 PolarHBondContact O-NE2 3.4Å; L161-Q184 HydrophobicContact CD2-CG 4.33Å; A180-Q184 VanDerWaalsContact O-CG 3.3Å; A180-Q184 WeakPolarHBondContact O-CG 3.49Å; A180-Q184 PolarHBondContact O-N 3.43Å; L181-Q184 WeakPolarHBondContact O-CB 3.11Å; L181-Q184 PolarHBondContact O-N 2.75Å; I182-Q184 VanDerWaalsContact C-N 3.34Å; I182-Q184 PolarHBondContact O-N 2.97Å; Q184-C186 PolarHBondContact O-N 2.85Å; Q184-L187 PolarHBondContact O-N 3.45Å; Q184-V188 WeakPolarHBondContact O-CG2 3.35Å; Q184-V188 PolarHBondContact O-N 3.36Å |
| 185 | I | 83.9 | Confident | 79 | Confident | 89 Ų | 89 | 66.2 Ų | 66.2 | 46% | 0.456 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 176.9 | -66.2 | 165.1 | 0 | 0 | 0 | 110.2 | L181 I182 L187 V188 V189 | L181-I185 HydrophobicContact CG-CD1 4.09Å; L181-I185 VanDerWaalsContact O-CG1 3.31Å; L181-I185 WeakPolarHBondContact O-CG1 3.02Å; L181-I185 PolarHBondContact O-N 2.94Å; I182-I185 PolarHBondContact O-N 2.96Å; I185-L187 VanDerWaalsContact C-N 3.35Å; I185-L187 PolarHBondContact O-N 3.33Å; I185-V188 PolarHBondContact O-N 3.32Å; I185-V189 HydrophobicContact CG2-CG2 4.29Å; I185-V189 WeakPolarHBondContact O-CB 3.19Å; I185-V189 VanDerWaalsContact O-CG2 3.27Å; I185-V189 WeakPolarHBondContact O-CG2 3.45Å; I185-V189 PolarHBondContact O-N 2.97Å |
| 186 | C | 85.5 | Confident | 78.6 | Confident | 78 Ų | 78 | 62.8 Ų | 62.8 | 53% | 0.527 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.2 | -43.4 | 175.9 | -73.7 | 0 | 0 | 0 | 0 | 112.3 | I182 S183 Q184 V189 W190 | I182-C186 WeakPolarHBondContact O-CB 3.04Å; I182-C186 PolarHBondContact O-N 2.94Å; I182-C186 PolarHBondContact O-SG 3.5Å; I182-C186 VanDerWaalsContact O-SG 3.34Å; S183-C186 PolarHBondContact O-N 3.47Å; Q184-C186 PolarHBondContact O-N 2.85Å; C186-V189 PolarHBondContact O-N 3Å; C186-W190 WeakPolarHBondContact O-CB 3.37Å; C186-W190 PolarHBondContact O-N 3.3Å |
| 187 | L | 80.7 | Confident | 77.9 | Confident | 32 Ų | 32 | 65.5 Ų | 65.5 | 17% | 0.168 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | 175.6 | -78.9 | 158 | 0 | 0 | 0 | 111.8 | F153 Y157 S160 S183 Q184 I185 W190 Q191 | F153-L187 WeakPolarHBondContact CZ-O 3.16Å; Y157-L187 HydrophobicContact CD2-CB 4.37Å; S160-L187 WeakPolarHBondContact OG-CD1 3.28Å; S183-L187 WeakPolarHBondContact O-CG 3.14Å; S183-L187 PolarHBondContact O-N 2.8Å; Q184-L187 PolarHBondContact O-N 3.45Å; I185-L187 VanDerWaalsContact C-N 3.35Å; I185-L187 PolarHBondContact O-N 3.33Å; L187-W190 WeakPolarHBondContact O-CB 3.34Å; L187-W190 PolarHBondContact O-N 2.95Å; L187-Q191 PolarHBondContact O-N 3.45Å |
| 188 | V | 79 | Confident | 77.1 | Confident | 56 Ų | 56 | 67.7 Ų | 67.7 | 34% | 0.339 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 177.2 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | Y157 Q184 I185 Q191 I192 | Y157-V188 HydrophobicContact CD2-CG2 4.18Å; Y157-V188 HydrophobicContact CE2-CG2 3.47Å; Y157-V188 VanDerWaalsContact CE2-CG2 3.47Å; Q184-V188 WeakPolarHBondContact O-CG2 3.35Å; Q184-V188 PolarHBondContact O-N 3.36Å; I185-V188 PolarHBondContact O-N 3.32Å; V188-Q191 WeakPolarHBondContact O-CB 3.46Å; V188-Q191 PolarHBondContact O-N 3.39Å; V188-Q191 VanDerWaalsContact O-N 3.16Å; V188-I192 HydrophobicContact CG1-CD1 3.88Å; V188-I192 HydrophobicContact CG1-CG1 4.5Å; V188-I192 VanDerWaalsContact O-CG1 3.26Å; V188-I192 WeakPolarHBondContact O-CG1 3.39Å; V188-I192 PolarHBondContact O-N 3.12Å |
| 189 | V | 82.2 | Confident | 76.2 | Confident | 72 Ų | 72 | 67.5 Ų | 67.5 | 44% | 0.436 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 175.7 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | I185 C186 Q191 I192 I193 | I185-V189 HydrophobicContact CG2-CG2 4.29Å; I185-V189 WeakPolarHBondContact O-CB 3.19Å; I185-V189 VanDerWaalsContact O-CG2 3.27Å; I185-V189 WeakPolarHBondContact O-CG2 3.45Å; I185-V189 PolarHBondContact O-N 2.97Å; C186-V189 PolarHBondContact O-N 3Å; V189-Q191 VanDerWaalsContact C-N 3.28Å; V189-Q191 PolarHBondContact O-N 3.28Å; V189-I192 PolarHBondContact O-N 3.19Å; V189-I193 HydrophobicContact CG1-CD1 3.81Å; V189-I193 HydrophobicContact CG1-CG1 4.49Å; V189-I193 VanDerWaalsContact O-CG1 3.24Å; V189-I193 WeakPolarHBondContact O-CG1 2.9Å; V189-I193 PolarHBondContact O-N 2.86Å |
| 190 | W | 81.7 | Confident | 75.1 | Confident | 172 Ų | 172 | 73.3 Ų | 73.3 | 65% | 0.652 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59.1 | -41.4 | 173.9 | -175 | -86.3 | 0 | 0 | 0 | 111.5 | F153 C186 L187 I192 I193 A194 | F153-W190 AromaticContact CE2-CD1 3.84Å; C186-W190 WeakPolarHBondContact O-CB 3.37Å; C186-W190 PolarHBondContact O-N 3.3Å; L187-W190 WeakPolarHBondContact O-CB 3.34Å; L187-W190 PolarHBondContact O-N 2.95Å; W190-I192 PolarHBondContact O-N 3.18Å; W190-I193 PolarHBondContact O-N 3.24Å; W190-A194 WeakPolarHBondContact O-CB 2.96Å; W190-A194 PolarHBondContact O-N 3.18Å |
| 191 | Q | 73.3 | Confident | 74.6 | Confident | 51 Ų | 51 | 79 Ų | 79 | 24% | 0.238 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 176.5 | -168 | 46 | 4.5 | 0 | 0 | 111.5 | F153 L187 V188 V189 I193 A194 T195 | F153-Q191 HydrophobicContact CD1-CB 4.28Å; F153-Q191 HydrophobicContact CD1-CG 3.75Å; F153-Q191 HydrophobicContact CE1-CB 3.36Å; F153-Q191 HydrophobicContact CE1-CG 3.2Å; F153-Q191 HydrophobicContact CE2-CB 3.98Å; F153-Q191 HydrophobicContact CE2-CG 4.43Å; F153-Q191 HydrophobicContact CZ-CB 3.21Å; F153-Q191 HydrophobicContact CZ-CG 3.65Å; F153-Q191 VanDerWaalsContact CZ-OE1 3.24Å; L187-Q191 PolarHBondContact O-N 3.45Å; V188-Q191 WeakPolarHBondContact O-CB 3.46Å; V188-Q191 PolarHBondContact O-N 3.39Å; V188-Q191 VanDerWaalsContact O-N 3.16Å; V189-Q191 VanDerWaalsContact C-N 3.28Å; V189-Q191 PolarHBondContact O-N 3.28Å; Q191-I193 VanDerWaalsContact C-N 3.26Å; Q191-I193 PolarHBondContact O-N 3.28Å; Q191-A194 CarbonylContact O-C 3.59Å; Q191-A194 PolarHBondContact O-N 3.11Å; Q191-A194 VanDerWaalsContact O-N 3.13Å; Q191-T195 HydrophobicContact CG-CG2 3.9Å; Q191-T195 WeakPolarHBondContact O-CB 3.15Å; Q191-T195 VanDerWaalsContact O-CG2 3.24Å; Q191-T195 WeakPolarHBondContact O-CG2 3.26Å; Q191-T195 PolarHBondContact O-N 3.05Å; Q191-T195 PolarHBondContact O-OG1 3.48Å |
| 192 | I | 76.2 | Confident | 74.1 | Confident | 87 Ų | 87 | 79.1 Ų | 79.1 | 45% | 0.446 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 178.9 | -67.5 | 162.8 | 0 | 0 | 0 | 108.8 | V188 V189 W190 A194 T195 V196 | V188-I192 HydrophobicContact CG1-CD1 3.88Å; V188-I192 HydrophobicContact CG1-CG1 4.5Å; V188-I192 VanDerWaalsContact O-CG1 3.26Å; V188-I192 WeakPolarHBondContact O-CG1 3.39Å; V188-I192 PolarHBondContact O-N 3.12Å; V189-I192 PolarHBondContact O-N 3.19Å; W190-I192 PolarHBondContact O-N 3.18Å; I192-A194 VanDerWaalsContact C-N 3.34Å; I192-A194 PolarHBondContact O-N 2.95Å; I192-T195 WeakPolarHBondContact CA-OG1 3.37Å; I192-T195 PolarHBondContact O-N 3.36Å; I192-T195 PolarHBondContact O-OG1 3.27Å; I192-V196 HydrophobicContact CG2-CG2 4.26Å; I192-V196 WeakPolarHBondContact O-CG2 3.34Å; I192-V196 PolarHBondContact O-N 3.44Å; I192-V196 VanDerWaalsContact O-N 3.08Å |
| 193 | I | 76.8 | Confident | 73.5 | Confident | 95 Ų | 95 | 79.4 Ų | 79.4 | 49% | 0.487 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 176.7 | -66.5 | 163.8 | 0 | 0 | 0 | 111.3 | V189 W190 Q191 | V189-I193 HydrophobicContact CG1-CD1 3.81Å; V189-I193 HydrophobicContact CG1-CG1 4.49Å; V189-I193 VanDerWaalsContact O-CG1 3.24Å; V189-I193 WeakPolarHBondContact O-CG1 2.9Å; V189-I193 PolarHBondContact O-N 2.86Å; W190-I193 PolarHBondContact O-N 3.24Å; Q191-I193 VanDerWaalsContact C-N 3.26Å; Q191-I193 PolarHBondContact O-N 3.28Å |
| 194 | A | 75.9 | Confident | 73 | Confident | 67 Ų | 67 | 84 Ų | 84 | 55% | 0.554 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -71.8 | -29.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | W190 Q191 I192 | W190-A194 WeakPolarHBondContact O-CB 2.96Å; W190-A194 PolarHBondContact O-N 3.18Å; Q191-A194 CarbonylContact O-C 3.59Å; Q191-A194 PolarHBondContact O-N 3.11Å; Q191-A194 VanDerWaalsContact O-N 3.13Å; I192-A194 VanDerWaalsContact C-N 3.34Å; I192-A194 PolarHBondContact O-N 2.95Å |
| 195 | T | 67.8 | Low | 72.6 | Confident | 77 Ų | 77 | 88 Ų | 88 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -91.8 | -3.2 | -179.1 | 59.5 | 0 | 0 | 0 | 0 | 113.9 | Q191 I192 P197 | Q191-T195 HydrophobicContact CG-CG2 3.9Å; Q191-T195 WeakPolarHBondContact O-CB 3.15Å; Q191-T195 VanDerWaalsContact O-CG2 3.24Å; Q191-T195 WeakPolarHBondContact O-CG2 3.26Å; Q191-T195 PolarHBondContact O-N 3.05Å; Q191-T195 PolarHBondContact O-OG1 3.48Å; I192-T195 WeakPolarHBondContact CA-OG1 3.37Å; I192-T195 PolarHBondContact O-N 3.36Å; I192-T195 PolarHBondContact O-OG1 3.27Å; T195-P197 WeakPolarHBondContact O-CD 3.31Å |
| 196 | V | 67.3 | Low | 72.2 | Confident | 53 Ų | 53 | 89.6 Ų | 89.6 | 32% | 0.321 | 49% | 0.493 | S | S | . | . | trans | -85.2 | 99 | 172.8 | -171.2 | 0 | 0 | 0 | 0 | 109.8 | I192 G198 G199 | I192-V196 HydrophobicContact CG2-CG2 4.26Å; I192-V196 WeakPolarHBondContact O-CG2 3.34Å; I192-V196 PolarHBondContact O-N 3.44Å; I192-V196 VanDerWaalsContact O-N 3.08Å; V196-G198 PolarHBondContact O-N 2.95Å; V196-G199 VanDerWaalsContact CG1-CA 3.4Å; V196-G199 PolarHBondContact O-N 3Å; V196-G199 VanDerWaalsContact O-N 3.11Å | ||
| 197 | P | 59.3 | Low | 71.8 | Confident | 131 Ų | 131 | 90.8 Ų | 90.8 | 85% | 0.851 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 103.4 | 161 | 29.8 | -34.6 | 0 | 0 | 0 | 107.2 | T195 | T195-P197 WeakPolarHBondContact O-CD 3.31Š|
| 198 | G | 58 | Low | 71.6 | Confident | 45 Ų | 45 | 97.2 Ų | 97.2 | 46% | 0.464 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.7 | 23.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | V196 R200 I201 G202 | V196-G198 PolarHBondContact O-N 2.95Å; G198-R200 PolarHBondContact O-N 3.3Å; G198-I201 PolarHBondContact O-N 3.46Å; G198-G202 PolarHBondContact O-N 3.4Å |
| 199 | G | 62.2 | Low | 71.6 | Confident | 24 Ų | 24 | 96.2 Ų | 96.2 | 25% | 0.247 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -37.3 | -35.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | V196 L203 | V196-G199 VanDerWaalsContact CG1-CA 3.4Å; V196-G199 PolarHBondContact O-N 3Å; V196-G199 VanDerWaalsContact O-N 3.11Å; G199-L203 WeakPolarHBondContact O-CB 3.25Å; G199-L203 PolarHBondContact O-N 2.73Å |
| 200 | R | 59.1 | Low | 71.2 | Confident | 222 Ų | 222 | 95.6 Ų | 95.6 | 84% | 0.838 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -75.4 | -31.1 | 180 | -58.3 | -175.1 | -175.6 | -151.8 | 0.9 | 113.5 | G198 K204 | G198-R200 PolarHBondContact O-N 3.3Å; R200-K204 WeakPolarHBondContact O-CB 3.24Å; R200-K204 WeakPolarHBondContact O-CG 3.35Å; R200-K204 PolarHBondContact O-N 3.33Å |
| 201 | I | 68 | Low | 70.9 | Confident | 132 Ų | 132 | 91.6 Ų | 91.6 | 68% | 0.677 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -83.8 | -43.7 | 179.9 | -63.7 | 164.6 | 0 | 0 | 0 | 110 | G198 K204 T205 | G198-I201 PolarHBondContact O-N 3.46Å; I201-K204 PolarHBondContact O-N 2.95Å; I201-T205 WeakPolarHBondContact O-CB 3.19Å; I201-T205 PolarHBondContact O-N 2.82Å; I201-T205 PolarHBondContact O-OG1 3.42Å |
| 202 | G | 69.9 | Low | 70.8 | Confident | 28 Ų | 28 | 98.3 Ų | 98.3 | 29% | 0.289 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62 | -48.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G198 K204 T205 L206 | G198-G202 PolarHBondContact O-N 3.4Å; G202-K204 PolarHBondContact O-N 3.39Å; G202-T205 PolarHBondContact O-N 3.36Å; G202-T205 VanDerWaalsContact O-N 3.09Å; G202-L206 WeakPolarHBondContact O-CG 3.3Å; G202-L206 PolarHBondContact O-N 3.25Å |
| 203 | L | 70.3 | Confident | 70.8 | Confident | 101 Ų | 101 | 98.4 Ų | 98.4 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 179.6 | -160.3 | 75.5 | 0 | 0 | 0 | 111.7 | G199 T205 L206 L207 | G199-L203 WeakPolarHBondContact O-CB 3.25Å; G199-L203 PolarHBondContact O-N 2.73Å; L203-T205 VanDerWaalsContact C-N 3.31Å; L203-T205 PolarHBondContact O-N 2.93Å; L203-L206 PolarHBondContact O-N 2.95Å; L203-L207 WeakPolarHBondContact O-CB 3.23Å; L203-L207 PolarHBondContact O-N 3.21Å |
| 204 | K | 72.9 | Confident | 70.6 | Confident | 151 Ų | 151 | 97.8 Ų | 97.8 | 66% | 0.657 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64 | -35.1 | 173.4 | -80 | -178.8 | 180 | -172.2 | 0 | 112.6 | R200 I201 G202 R208 | R200-K204 WeakPolarHBondContact O-CB 3.24Å; R200-K204 WeakPolarHBondContact O-CG 3.35Å; R200-K204 PolarHBondContact O-N 3.33Å; I201-K204 PolarHBondContact O-N 2.95Å; G202-K204 PolarHBondContact O-N 3.39Å; K204-R208 WeakPolarHBondContact O-CB 3.49Å; K204-R208 PolarHBondContact O-N 3.01Å |
| 205 | T | 74.4 | Confident | 70.1 | Confident | 85 Ų | 85 | 101.2 Ų | 101.2 | 52% | 0.521 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.7 | -41.7 | 178 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | I201 G202 L203 R208 G209 | I201-T205 WeakPolarHBondContact O-CB 3.19Å; I201-T205 PolarHBondContact O-N 2.82Å; I201-T205 PolarHBondContact O-OG1 3.42Å; G202-T205 PolarHBondContact O-N 3.36Å; G202-T205 VanDerWaalsContact O-N 3.09Å; L203-T205 VanDerWaalsContact C-N 3.31Å; L203-T205 PolarHBondContact O-N 2.93Å; T205-R208 PolarHBondContact O-N 3.16Å; T205-G209 PolarHBondContact O-N 3.14Å |
| 206 | L | 75 | Confident | 70.2 | Confident | 122 Ų | 122 | 99.7 Ų | 99.7 | 64% | 0.639 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.1 | -42.1 | 174.4 | -67.2 | -176.5 | 0 | 0 | 0 | 112.4 | G202 L203 R208 G209 S210 | G202-L206 WeakPolarHBondContact O-CG 3.3Å; G202-L206 PolarHBondContact O-N 3.25Å; L203-L206 PolarHBondContact O-N 2.95Å; L206-R208 VanDerWaalsContact C-N 3.32Å; L206-R208 PolarHBondContact O-N 3.33Å; L206-G209 PolarHBondContact O-N 3.24Å; L206-S210 WeakPolarHBondContact O-CB 3.48Å; L206-S210 PolarHBondContact O-N 3.18Å; L206-S210 PolarHBondContact O-OG 2.77Å |
| 207 | L | 77.6 | Confident | 70 | Confident | 104 Ų | 104 | 101.9 Ų | 101.9 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 175.9 | -136.2 | 81.4 | 0 | 0 | 0 | 111.1 | L203 S210 L211 | L203-L207 WeakPolarHBondContact O-CB 3.23Å; L203-L207 PolarHBondContact O-N 3.21Å; L207-S210 PolarHBondContact O-OG 3.44Å; L207-S210 VanDerWaalsContact O-OG 3.1Å; L207-L211 VanDerWaalsContact O-CB 3.26Å; L207-L211 WeakPolarHBondContact O-CB 3.39Å; L207-L211 WeakPolarHBondContact O-CD1 3.08Å; L207-L211 WeakPolarHBondContact O-CG 3.31Å; L207-L211 PolarHBondContact O-N 2.82Å |
| 208 | R | 77.1 | Confident | 70 | Confident | 166 Ų | 166 | 99.4 Ų | 99.4 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.4 | -46.1 | 174.8 | -167.5 | -176.6 | -71.6 | 163.7 | -5.1 | 109.9 | K204 T205 L206 L211 W212 | K204-R208 WeakPolarHBondContact O-CB 3.49Å; K204-R208 PolarHBondContact O-N 3.01Å; T205-R208 PolarHBondContact O-N 3.16Å; L206-R208 VanDerWaalsContact C-N 3.32Å; L206-R208 PolarHBondContact O-N 3.33Å; R208-L211 PolarHBondContact O-N 3Å; R208-W212 PolarHBondContact O-N 3.46Å |
| 209 | G | 79.3 | Confident | 70 | Confident | 35 Ų | 35 | 106.5 Ų | 106.5 | 36% | 0.361 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T205 L206 L211 W212 T213 | T205-G209 PolarHBondContact O-N 3.14Å; L206-G209 PolarHBondContact O-N 3.24Å; G209-L211 PolarHBondContact O-N 3.29Å; G209-W212 WeakPolarHBondContact O-CB 3.39Å; G209-W212 PolarHBondContact O-N 3.35Å; G209-T213 PolarHBondContact O-N 3.36Å; G209-T213 PolarHBondContact O-OG1 3.3Å |
| 210 | S | 73.9 | Confident | 70.2 | Confident | 59 Ų | 59 | 109.3 Ų | 109.3 | 41% | 0.413 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.3 | -37.6 | 177.2 | 67.8 | 0 | 0 | 0 | 0 | 112.1 | L206 L207 W212 T213 V214 | L206-S210 WeakPolarHBondContact O-CB 3.48Å; L206-S210 PolarHBondContact O-N 3.18Å; L206-S210 PolarHBondContact O-OG 2.77Å; L207-S210 PolarHBondContact O-OG 3.44Å; L207-S210 VanDerWaalsContact O-OG 3.1Å; S210-W212 VanDerWaalsContact C-N 3.32Å; S210-W212 PolarHBondContact O-N 3.1Å; S210-T213 PolarHBondContact O-N 3.49Å; S210-V214 WeakPolarHBondContact O-CG2 3.43Å; S210-V214 PolarHBondContact O-N 3.47Å |
| 211 | L | 75.1 | Confident | 70.2 | Confident | 88 Ų | 88 | 104.7 Ų | 104.7 | 46% | 0.461 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66 | -32.3 | 173.2 | -73.1 | 168.5 | 0 | 0 | 0 | 112.4 | L207 R208 G209 K215 | L207-L211 VanDerWaalsContact O-CB 3.26Å; L207-L211 WeakPolarHBondContact O-CB 3.39Å; L207-L211 WeakPolarHBondContact O-CD1 3.08Å; L207-L211 WeakPolarHBondContact O-CG 3.31Å; L207-L211 PolarHBondContact O-N 2.82Å; R208-L211 PolarHBondContact O-N 3Å; G209-L211 PolarHBondContact O-N 3.29Å; L211-K215 WeakPolarHBondContact O-CB 3.31Å; L211-K215 VanDerWaalsContact O-CG 3.25Å; L211-K215 WeakPolarHBondContact O-CG 3.36Å; L211-K215 PolarHBondContact O-N 3.04Å |
| 212 | W | 71.2 | Confident | 70.2 | Confident | 192 Ų | 192 | 104.1 Ų | 104.1 | 73% | 0.727 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.1 | -40.8 | 171.3 | -79.1 | 107.2 | 0 | 0 | 0 | 111.7 | R208 G209 S210 G216 | R208-W212 PolarHBondContact O-N 3.46Å; G209-W212 WeakPolarHBondContact O-CB 3.39Å; G209-W212 PolarHBondContact O-N 3.35Å; S210-W212 VanDerWaalsContact C-N 3.32Å; S210-W212 PolarHBondContact O-N 3.1Å; W212-G216 WeakPolarHBondContact O-CA 3.22Å; W212-G216 PolarHBondContact O-N 3.48Å |
| 213 | T | 76.1 | Confident | 69.6 | Low | 89 Ų | 89 | 113 Ų | 113 | 55% | 0.546 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.4 | -47.9 | 174.9 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | G209 S210 G216 I217 | G209-T213 PolarHBondContact O-N 3.36Å; G209-T213 PolarHBondContact O-OG1 3.3Å; S210-T213 PolarHBondContact O-N 3.49Å; T213-G216 PolarHBondContact O-N 2.94Å; T213-I217 HydrophobicContact CG2-CD1 3.88Å; T213-I217 VanDerWaalsContact O-CD1 3.26Å; T213-I217 WeakPolarHBondContact O-CD1 3.48Å; T213-I217 WeakPolarHBondContact O-CG1 3.5Å; T213-I217 PolarHBondContact O-N 3.01Å |
| 214 | V | 71.1 | Confident | 69.6 | Low | 83 Ų | 83 | 113.6 Ų | 113.6 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.7 | -42.9 | 179.8 | 176 | 0 | 0 | 0 | 0 | 111.6 | S210 G216 I217 S218 | S210-V214 WeakPolarHBondContact O-CG2 3.43Å; S210-V214 PolarHBondContact O-N 3.47Å; V214-G216 VanDerWaalsContact C-N 3.32Å; V214-G216 PolarHBondContact O-N 3.36Å; V214-I217 PolarHBondContact O-N 3.42Å; V214-S218 PolarHBondContact O-N 3.28Å; V214-S218 PolarHBondContact O-OG 3.23Å |
| 215 | K | 65.7 | Low | 69.4 | Low | 138 Ų | 138 | 111.6 Ų | 111.6 | 60% | 0.6 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.6 | -30.4 | 175.8 | -74.8 | -179.3 | 169.6 | 179.6 | 0 | 112.7 | L211 K219 | L211-K215 WeakPolarHBondContact O-CB 3.31Å; L211-K215 VanDerWaalsContact O-CG 3.25Å; L211-K215 WeakPolarHBondContact O-CG 3.36Å; L211-K215 PolarHBondContact O-N 3.04Å; K215-K219 PolarHBondContact O-N 3.5Å |
| 216 | G | 71 | Confident | 69.1 | Low | 45 Ų | 45 | 113.1 Ų | 113.1 | 46% | 0.464 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -64.4 | -44.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | W212 T213 V214 K219 S220 | W212-G216 WeakPolarHBondContact O-CA 3.22Å; W212-G216 PolarHBondContact O-N 3.48Å; T213-G216 PolarHBondContact O-N 2.94Å; V214-G216 VanDerWaalsContact C-N 3.32Å; V214-G216 PolarHBondContact O-N 3.36Å; G216-K219 PolarHBondContact O-N 3.46Å; G216-S220 PolarHBondContact O-N 3.3Å |
| 217 | I | 62.8 | Low | 68.8 | Low | 99 Ų | 99 | 112.6 Ų | 112.6 | 51% | 0.508 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69.9 | -34.3 | 178.4 | -59 | 156 | 0 | 0 | 0 | 111.2 | T213 V214 K219 S220 L221 | T213-I217 HydrophobicContact CG2-CD1 3.88Å; T213-I217 VanDerWaalsContact O-CD1 3.26Å; T213-I217 WeakPolarHBondContact O-CD1 3.48Å; T213-I217 WeakPolarHBondContact O-CG1 3.5Å; T213-I217 PolarHBondContact O-N 3.01Å; V214-I217 PolarHBondContact O-N 3.42Å; I217-K219 PolarHBondContact O-N 3.37Å; I217-S220 PolarHBondContact O-N 3.26Å; I217-S220 PolarHBondContact O-OG 3.41Å; I217-L221 WeakPolarHBondContact O-CD1 3.41Å |
| 218 | S | 59.9 | Low | 68.2 | Low | 80 Ų | 80 | 113.1 Ų | 113.1 | 56% | 0.559 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.2 | -25.1 | 177.2 | -48.9 | 0 | 0 | 0 | 0 | 112.7 | V214 | V214-S218 PolarHBondContact O-N 3.28Å; V214-S218 PolarHBondContact O-OG 3.23Å |
| 219 | K | 58.4 | Low | 67.7 | Low | 193 Ų | 193 | 109.6 Ų | 109.6 | 84% | 0.839 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -9.5 | 177.8 | -75.8 | -170.6 | 175.5 | -163.4 | 0 | 113.9 | K215 G216 I217 | K215-K219 PolarHBondContact O-N 3.5Å; G216-K219 PolarHBondContact O-N 3.46Å; I217-K219 PolarHBondContact O-N 3.37Å |
| 220 | S | 66.3 | Low | 66.8 | Low | 83 Ų | 83 | 114.9 Ų | 114.9 | 58% | 0.58 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -96 | 5.1 | 177.1 | 72.8 | 0 | 0 | 0 | 0 | 113.9 | G216 I217 P222 | G216-S220 PolarHBondContact O-N 3.3Å; I217-S220 PolarHBondContact O-N 3.26Å; I217-S220 PolarHBondContact O-OG 3.41Å; S220-P222 WeakPolarHBondContact O-CD 3.15Å |
| 221 | L | 58.4 | Low | 66.3 | Low | 125 Ų | 125 | 119.2 Ų | 119.2 | 65% | 0.654 | 66% | 0.656 | S | S | * | * | trans | -93.6 | 102.3 | 164.6 | -82.2 | 93.6 | 0 | 0 | 0 | 108.9 | I217 V223 | I217-L221 WeakPolarHBondContact O-CD1 3.41Å; L221-V223 PolarHBondContact O-N 3.37Å | ||
| 222 | P | 67 | Low | 65.5 | Low | 120 Ų | 120 | 121.8 Ų | 121.8 | 78% | 0.779 | 67% | 0.672 | S | S | * | * | trans | -63.9 | 125.7 | 154.8 | 28.4 | -30.8 | 0 | 0 | 0 | 107.8 | S220 | S220-P222 WeakPolarHBondContact O-CD 3.15Š| ||
| 223 | V | 58.7 | Low | 65 | Low | 215 Ų | 215 | 115.5 Ų | 115.5 | 100% | 1.303 | 67% | 0.667 | S | S | * | * | trans | -71.5 | 0 | 155.4 | -66.5 | 0 | 0 | 0 | 0 | 109.6 | L221 | L221-V223 PolarHBondContact O-N 3.37Š|
Retrieved 223 of 223 residues in 75.5 ms
(Link to these results)