| 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 | 77.7 | Confident | 92.3 | Very high | 204 Ų | 204 | 117.7 Ų | 117.7 | 100% | 1.005 | 60% | 0.598 | S | S | * | * | 0 | -49.9 | 0 | -70.7 | -56.7 | -84.6 | 0 | 0 | 111.9 | E3 L4 Q5 | M1-E3 PolarHBondContact O-N 3.01Å; M1-L4 PolarHBondContact O-N 3.44Å; M1-Q5 PolarHBondContact O-N 2.79Å; M1-Q5 VanDerWaalsContact O-N 3.16Å | |||
| 2 | A | 89.8 | Confident | 92.7 | Very high | 79 Ų | 79 | 114.3 Ų | 114.3 | 65% | 0.653 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59 | -43.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L4 Q5 M6 | A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.5Å; A2-Q5 PolarHBondContact O-N 3.08Å; A2-M6 PolarHBondContact O-N 3.05Å |
| 3 | E | 92.4 | Very high | 93.1 | Very high | 156 Ų | 156 | 109 Ų | 109 | 73% | 0.729 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.8 | -41.6 | 178.3 | -66.4 | -175.5 | 167.6 | 0 | 0 | 112.6 | M1 Q5 M6 L7 | M1-E3 PolarHBondContact O-N 3.01Å; E3-Q5 VanDerWaalsContact C-N 3.33Å; E3-Q5 PolarHBondContact O-N 3.19Å; E3-M6 PolarHBondContact O-N 3.15Å; E3-L7 WeakPolarHBondContact O-CB 3.39Å; E3-L7 PolarHBondContact O-N 2.91Å |
| 4 | L | 93.1 | Very high | 93.4 | Very high | 115 Ų | 115 | 102.9 Ų | 102.9 | 60% | 0.602 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.6 | -31.7 | -177.8 | -145.6 | 136.1 | 0 | 0 | 0 | 111.6 | M1 A2 L8 | M1-L4 PolarHBondContact O-N 3.44Å; A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.5Å; L4-L8 HydrophobicContact CD2-CD1 3.74Å; L4-L8 HydrophobicContact CD2-CG 4.42Å; L4-L8 WeakPolarHBondContact O-CB 3.49Å; L4-L8 WeakPolarHBondContact O-CG 3.35Å; L4-L8 PolarHBondContact O-N 3.28Å; L4-L8 VanDerWaalsContact O-N 3.13Å |
| 5 | Q | 92.6 | Very high | 93.7 | Very high | 107 Ų | 107 | 98.3 Ų | 98.3 | 50% | 0.5 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.1 | -47.9 | 173.1 | -176.5 | 171.7 | -3.8 | 0 | 0 | 111.5 | M1 A2 E3 L7 L8 E9 | M1-Q5 PolarHBondContact O-N 2.79Å; M1-Q5 VanDerWaalsContact O-N 3.16Å; A2-Q5 PolarHBondContact O-N 3.08Å; E3-Q5 VanDerWaalsContact C-N 3.33Å; E3-Q5 PolarHBondContact O-N 3.19Å; Q5-L7 VanDerWaalsContact C-N 3.27Å; Q5-L7 PolarHBondContact O-N 3.36Å; Q5-L8 PolarHBondContact O-N 3.24Å; Q5-E9 HydrophobicContact CG-CG 4.25Å; Q5-E9 VanDerWaalsContact CG-OE2 3.24Å; Q5-E9 WeakPolarHBondContact CG-OE2 3.4Å; Q5-E9 PolarHBondContact NE2-OE2 3.2Å; Q5-E9 WeakPolarHBondContact O-CB 3.38Å; Q5-E9 WeakPolarHBondContact O-CG 3.47Å; Q5-E9 PolarHBondContact O-N 3.31Å |
| 6 | M | 94.8 | Very high | 94 | Very high | 87 Ų | 87 | 103.8 Ų | 103.8 | 43% | 0.429 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.6 | -41.7 | 175.8 | -179.5 | 176.8 | 58.8 | 0 | 0 | 111.8 | A2 E3 E10 E11 | A2-M6 PolarHBondContact O-N 3.05Å; E3-M6 PolarHBondContact O-N 3.15Å; M6-E10 WeakPolarHBondContact O-CA 3.33Å; M6-E10 WeakPolarHBondContact O-CB 3.44Å; M6-E10 PolarHBondContact O-N 3.47Å; M6-E11 HydrophobicContact CG-CG 4.42Å; M6-E11 PolarHBondContact O-N 3.34Å |
| 7 | L | 95.9 | Very high | 94.2 | Very high | 79 Ų | 79 | 107.1 Ų | 107.1 | 41% | 0.414 | 54% | 0.539 | S | S | . | . | I | π-helix | trans | -69 | -40.4 | -178.1 | -152.9 | 149.7 | 0 | 0 | 0 | 112 | E3 Q5 I12 | E3-L7 WeakPolarHBondContact O-CB 3.39Å; E3-L7 PolarHBondContact O-N 2.91Å; Q5-L7 VanDerWaalsContact C-N 3.27Å; Q5-L7 PolarHBondContact O-N 3.36Å; L7-I12 HydrophobicContact CD2-CD1 3.36Å; L7-I12 HydrophobicContact CD2-CG1 3.68Å; L7-I12 WeakPolarHBondContact O-CB 3.49Å; L7-I12 VanDerWaalsContact O-CG1 3.29Å; L7-I12 WeakPolarHBondContact O-CG1 3.43Å; L7-I12 PolarHBondContact O-N 3.31Å |
| 8 | L | 94.4 | Very high | 94.4 | Very high | 105 Ų | 105 | 104.3 Ų | 104.3 | 55% | 0.55 | 54% | 0.536 | S | S | . | . | I | π-helix | trans | -77.4 | -38 | 179.1 | -73 | 175.2 | 0 | 0 | 0 | 113.7 | L4 Q5 I12 P13 | L4-L8 HydrophobicContact CD2-CD1 3.74Å; L4-L8 HydrophobicContact CD2-CG 4.42Å; L4-L8 WeakPolarHBondContact O-CB 3.49Å; L4-L8 WeakPolarHBondContact O-CG 3.35Å; L4-L8 PolarHBondContact O-N 3.28Å; L4-L8 VanDerWaalsContact O-N 3.13Å; Q5-L8 PolarHBondContact O-N 3.24Å; L8-I12 HydrophobicContact CD2-CD1 4.4Å; L8-P13 VanDerWaalsContact O-CD 3.31Å; L8-P13 WeakPolarHBondContact O-CD 3.22Å; L8-P13 VanDerWaalsContact O-CG 3.28Å; L8-P13 WeakPolarHBondContact O-CG 3.5Å |
| 9 | E | 94.3 | Very high | 94.6 | Very high | 124 Ų | 124 | 105.5 Ų | 105.5 | 58% | 0.579 | 54% | 0.542 | S | S | * | . | I | π-helix | trans | -90.5 | -31.5 | -173.3 | -64.8 | -176.2 | 163 | 0 | 0 | 112.6 | Q5 | Q5-E9 HydrophobicContact CG-CG 4.25Å; Q5-E9 VanDerWaalsContact CG-OE2 3.24Å; Q5-E9 WeakPolarHBondContact CG-OE2 3.4Å; Q5-E9 PolarHBondContact NE2-OE2 3.2Å; Q5-E9 WeakPolarHBondContact O-CB 3.38Å; Q5-E9 WeakPolarHBondContact O-CG 3.47Å; Q5-E9 PolarHBondContact O-N 3.31Å |
| 10 | E | 94.2 | Very high | 94.8 | Very high | 132 Ų | 132 | 106.9 Ų | 106.9 | 62% | 0.617 | 54% | 0.544 | S | S | * | . | I | π-helix | trans | -118.8 | -57.1 | -172.7 | -60.6 | -168.3 | 162.2 | 0 | 0 | 113.3 | M6 G14 | M6-E10 WeakPolarHBondContact O-CA 3.33Å; M6-E10 WeakPolarHBondContact O-CB 3.44Å; M6-E10 PolarHBondContact O-N 3.47Å; E10-G14 WeakPolarHBondContact O-CA 3.3Å; E10-G14 PolarHBondContact O-N 3.39Å |
| 11 | E | 96.6 | Very high | 94.9 | Very high | 107 Ų | 107 | 105.7 Ų | 105.7 | 50% | 0.5 | 54% | 0.539 | S | S | . | . | I | π-helix | trans | -70.7 | -48 | -169.2 | -63 | -172 | 150.9 | 0 | 0 | 112.8 | M6 G14 G15 | M6-E11 HydrophobicContact CG-CG 4.42Å; M6-E11 PolarHBondContact O-N 3.34Å; E11-G14 PolarHBondContact O-N 3.32Å; E11-G15 PolarHBondContact O-N 3.38Å |
| 12 | I | 96.9 | Very high | 95.9 | Very high | 76 Ų | 76 | 98.7 Ų | 98.7 | 39% | 0.39 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65 | -50.3 | 178.7 | -70.6 | 172.7 | 0 | 0 | 0 | 111.2 | L7 L8 G14 G15 R16 | L7-I12 HydrophobicContact CD2-CD1 3.36Å; L7-I12 HydrophobicContact CD2-CG1 3.68Å; L7-I12 WeakPolarHBondContact O-CB 3.49Å; L7-I12 VanDerWaalsContact O-CG1 3.29Å; L7-I12 WeakPolarHBondContact O-CG1 3.43Å; L7-I12 PolarHBondContact O-N 3.31Å; L8-I12 HydrophobicContact CD2-CD1 4.4Å; I12-G14 VanDerWaalsContact C-N 3.3Å; I12-G14 PolarHBondContact O-N 2.85Å; I12-G15 PolarHBondContact O-N 2.98Å; I12-R16 WeakPolarHBondContact O-CB 3.48Å; I12-R16 WeakPolarHBondContact O-CG 3.46Å; I12-R16 PolarHBondContact O-N 3.07Å |
| 13 | P | 97.7 | Very high | 96.3 | Very high | 46 Ų | 46 | 102.1 Ų | 102.1 | 30% | 0.299 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -33.9 | 177.9 | -23 | 36.2 | 0 | 0 | 0 | 112.6 | L8 R17 | L8-P13 VanDerWaalsContact O-CD 3.31Å; L8-P13 WeakPolarHBondContact O-CD 3.22Å; L8-P13 VanDerWaalsContact O-CG 3.28Å; L8-P13 WeakPolarHBondContact O-CG 3.5Å; P13-R17 WeakPolarHBondContact O-CG 3.25Å; P13-R17 PolarHBondContact O-N 3.18Å; P13-R17 PolarHBondContact O-NE 2.89Å |
| 14 | G | 97.8 | Very high | 96.6 | Very high | 23 Ų | 23 | 95.9 Ų | 95.9 | 24% | 0.237 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63.2 | -50.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | E10 E11 I12 R16 R17 A18 | E10-G14 WeakPolarHBondContact O-CA 3.3Å; E10-G14 PolarHBondContact O-N 3.39Å; E11-G14 PolarHBondContact O-N 3.32Å; I12-G14 VanDerWaalsContact C-N 3.3Å; I12-G14 PolarHBondContact O-N 2.85Å; G14-R16 VanDerWaalsContact C-N 3.33Å; G14-R16 PolarHBondContact O-N 3.43Å; G14-R17 PolarHBondContact O-N 2.97Å; G14-A18 WeakPolarHBondContact O-CB 3.32Å; G14-A18 PolarHBondContact O-N 3.43Å |
| 15 | G | 97.8 | Very high | 96.8 | Very high | 35 Ų | 35 | 94 Ų | 94 | 36% | 0.361 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E11 I12 A18 L19 | E11-G15 PolarHBondContact O-N 3.38Å; I12-G15 PolarHBondContact O-N 2.98Å; G15-A18 PolarHBondContact O-N 3.26Å; G15-L19 WeakPolarHBondContact O-CB 3.34Å; G15-L19 VanDerWaalsContact O-CG 3.32Å; G15-L19 WeakPolarHBondContact O-CG 3.37Å; G15-L19 PolarHBondContact O-N 3.44Å |
| 16 | R | 97.8 | Very high | 97.1 | Very high | 185 Ų | 185 | 94.2 Ų | 94.2 | 70% | 0.698 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.6 | -42.8 | 174.3 | -76.8 | -178.8 | 174.1 | -150.6 | -0.6 | 112.7 | I12 G14 L19 F20 | I12-R16 WeakPolarHBondContact O-CB 3.48Å; I12-R16 WeakPolarHBondContact O-CG 3.46Å; I12-R16 PolarHBondContact O-N 3.07Å; G14-R16 VanDerWaalsContact C-N 3.33Å; G14-R16 PolarHBondContact O-N 3.43Å; R16-L19 PolarHBondContact O-N 2.86Å; R16-F20 PolarHBondContact O-N 2.81Å |
| 17 | R | 97.4 | Very high | 97.2 | Very high | 161 Ų | 161 | 95.3 Ų | 95.3 | 61% | 0.608 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.5 | -46.6 | 174.5 | -76.6 | -179.6 | -71.4 | 152.7 | -5.4 | 111.3 | P13 G14 L19 F20 D21 | P13-R17 WeakPolarHBondContact O-CG 3.25Å; P13-R17 PolarHBondContact O-N 3.18Å; P13-R17 PolarHBondContact O-NE 2.89Å; G14-R17 PolarHBondContact O-N 2.97Å; R17-L19 VanDerWaalsContact C-N 3.28Å; R17-L19 PolarHBondContact O-N 3.25Å; R17-F20 WeakPolarHBondContact O-CB 3.29Å; R17-F20 PolarHBondContact O-N 3.04Å; R17-D21 VanDerWaalsContact O-CG 3.29Å; R17-D21 PolarHBondContact O-N 3.06Å |
| 18 | A | 98 | Very high | 97.4 | Very high | 57 Ų | 57 | 98.6 Ų | 98.6 | 47% | 0.471 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.6 | -38 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G14 G15 S22 | G14-A18 WeakPolarHBondContact O-CB 3.32Å; G14-A18 PolarHBondContact O-N 3.43Å; G15-A18 PolarHBondContact O-N 3.26Å; A18-S22 WeakPolarHBondContact O-CB 3.33Å; A18-S22 PolarHBondContact O-N 3.42Å |
| 19 | L | 98.1 | Very high | 97.6 | Very high | 127 Ų | 127 | 97.3 Ų | 97.3 | 67% | 0.665 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.7 | -41.5 | 173.2 | -75.1 | 172.9 | 0 | 0 | 0 | 112.2 | G15 R16 R17 S22 Y23 | G15-L19 WeakPolarHBondContact O-CB 3.34Å; G15-L19 VanDerWaalsContact O-CG 3.32Å; G15-L19 WeakPolarHBondContact O-CG 3.37Å; G15-L19 PolarHBondContact O-N 3.44Å; R16-L19 PolarHBondContact O-N 2.86Å; R17-L19 VanDerWaalsContact C-N 3.28Å; R17-L19 PolarHBondContact O-N 3.25Å; L19-S22 PolarHBondContact O-N 2.91Å; L19-Y23 PolarHBondContact O-N 3.2Å |
| 20 | F | 97.9 | Very high | 97.8 | Very high | 132 Ų | 132 | 94.2 Ų | 94.2 | 58% | 0.579 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.7 | -44 | 176 | -175.3 | -96.7 | 0 | 0 | 0 | 112 | R16 R17 S22 Y23 T24 | R16-F20 PolarHBondContact O-N 2.81Å; R17-F20 WeakPolarHBondContact O-CB 3.29Å; R17-F20 PolarHBondContact O-N 3.04Å; F20-S22 VanDerWaalsContact C-N 3.3Å; F20-S22 PolarHBondContact O-N 3.37Å; F20-Y23 WeakPolarHBondContact O-CB 3.28Å; F20-Y23 PolarHBondContact O-N 3.02Å; F20-T24 HydrophobicContact CD1-CG2 4.4Å; F20-T24 HydrophobicContact CE1-CG2 3.96Å; F20-T24 HydrophobicContact CZ-CG2 4.19Å; F20-T24 PolarHBondContact O-N 3.38Å; F20-T24 VanDerWaalsContact O-N 3.07Å |
| 21 | D | 98.3 | Very high | 97.9 | Very high | 83 Ų | 83 | 92 Ų | 92 | 44% | 0.444 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 175.2 | -66.3 | -23.5 | 0 | 0 | 0 | 110.3 | R17 Y23 T24 N25 | R17-D21 VanDerWaalsContact O-CG 3.29Å; R17-D21 PolarHBondContact O-N 3.06Å; D21-Y23 VanDerWaalsContact C-N 3.33Å; D21-Y23 PolarHBondContact O-N 3.42Å; D21-T24 PolarHBondContact O-N 2.8Å; D21-T24 PolarHBondContact O-OG1 3.44Å; D21-N25 VanDerWaalsContact O-CB 3.3Å; D21-N25 WeakPolarHBondContact O-CB 3.34Å; D21-N25 PolarHBondContact O-N 2.81Å; D21-N25 PolarHBondContact O-ND2 3.31Å |
| 22 | S | 98.4 | Very high | 98 | Very high | 57 Ų | 57 | 94.1 Ų | 94.1 | 40% | 0.399 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.5 | -43.6 | 175.1 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | A18 L19 F20 N25 L26 | A18-S22 WeakPolarHBondContact O-CB 3.33Å; A18-S22 PolarHBondContact O-N 3.42Å; L19-S22 PolarHBondContact O-N 2.91Å; F20-S22 VanDerWaalsContact C-N 3.3Å; F20-S22 PolarHBondContact O-N 3.37Å; S22-N25 PolarHBondContact O-N 2.86Å; S22-L26 WeakPolarHBondContact O-CB 3.31Å; S22-L26 VanDerWaalsContact O-CG 3.25Å; S22-L26 WeakPolarHBondContact O-CG 3.46Å; S22-L26 PolarHBondContact O-N 3.31Å |
| 23 | Y | 98 | Very high | 98.1 | Very high | 150 Ų | 150 | 93.8 Ų | 93.8 | 59% | 0.588 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -56.8 | -52 | 174.6 | 168.6 | -95.8 | 0 | 0 | 0 | 111.9 | L19 F20 D21 N25 L26 E27 | L19-Y23 PolarHBondContact O-N 3.2Å; F20-Y23 WeakPolarHBondContact O-CB 3.28Å; F20-Y23 PolarHBondContact O-N 3.02Å; D21-Y23 VanDerWaalsContact C-N 3.33Å; D21-Y23 PolarHBondContact O-N 3.42Å; Y23-N25 VanDerWaalsContact C-N 3.31Å; Y23-N25 PolarHBondContact O-N 2.94Å; Y23-L26 PolarHBondContact O-N 2.96Å; Y23-E27 PolarHBondContact O-N 2.89Å |
| 24 | T | 98 | Very high | 98.1 | Very high | 26 Ų | 26 | 97.5 Ų | 97.5 | 16% | 0.16 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -67.1 | -32.7 | 179.9 | 68.7 | 0 | 0 | 0 | 0 | 112.9 | F20 D21 R28 | F20-T24 HydrophobicContact CD1-CG2 4.4Å; F20-T24 HydrophobicContact CE1-CG2 3.96Å; F20-T24 HydrophobicContact CZ-CG2 4.19Å; F20-T24 PolarHBondContact O-N 3.38Å; F20-T24 VanDerWaalsContact O-N 3.07Å; D21-T24 PolarHBondContact O-N 2.8Å; D21-T24 PolarHBondContact O-OG1 3.44Å; T24-R28 WeakPolarHBondContact O-CG 3.48Å; T24-R28 PolarHBondContact O-N 3.34Å; T24-R28 PolarHBondContact OG1-NH2 3.46Å |
| 25 | N | 98.3 | Very high | 98.1 | Very high | 75 Ų | 75 | 100.5 Ų | 100.5 | 40% | 0.401 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.7 | -40.2 | 177.7 | -71 | -19.8 | 0 | 0 | 0 | 111 | D21 S22 Y23 E27 R28 V29 | D21-N25 VanDerWaalsContact O-CB 3.3Å; D21-N25 WeakPolarHBondContact O-CB 3.34Å; D21-N25 PolarHBondContact O-N 2.81Å; D21-N25 PolarHBondContact O-ND2 3.31Å; S22-N25 PolarHBondContact O-N 2.86Å; Y23-N25 VanDerWaalsContact C-N 3.31Å; Y23-N25 PolarHBondContact O-N 2.94Å; N25-E27 VanDerWaalsContact C-N 3.31Å; N25-E27 PolarHBondContact O-N 3.32Å; N25-R28 PolarHBondContact O-N 3.48Å; N25-R28 PolarHBondContact OD1-NH1 3.29Å; N25-V29 WeakPolarHBondContact O-CB 3.34Å; N25-V29 VanDerWaalsContact O-CG2 3.27Å; N25-V29 WeakPolarHBondContact O-CG2 3.24Å; N25-V29 PolarHBondContact O-N 3.16Å |
| 26 | L | 98.4 | Very high | 98.1 | Very high | 111 Ų | 111 | 102.3 Ų | 102.3 | 58% | 0.581 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.2 | -36.4 | 177.1 | -74 | 173.2 | 0 | 0 | 0 | 112 | S22 Y23 V29 A30 | S22-L26 WeakPolarHBondContact O-CB 3.31Å; S22-L26 VanDerWaalsContact O-CG 3.25Å; S22-L26 WeakPolarHBondContact O-CG 3.46Å; S22-L26 PolarHBondContact O-N 3.31Å; Y23-L26 PolarHBondContact O-N 2.96Å; L26-V29 PolarHBondContact O-N 2.95Å; L26-A30 WeakPolarHBondContact O-CB 3.3Å; L26-A30 PolarHBondContact O-N 3.34Å |
| 27 | E | 98.1 | Very high | 98.1 | Very high | 110 Ų | 110 | 101.3 Ų | 101.3 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.3 | -51.2 | 172 | -174.1 | 176.2 | -163 | 0 | 0 | 111 | Y23 N25 V29 A30 D31 | Y23-E27 PolarHBondContact O-N 2.89Å; N25-E27 VanDerWaalsContact C-N 3.31Å; N25-E27 PolarHBondContact O-N 3.32Å; E27-V29 VanDerWaalsContact C-N 3.29Å; E27-V29 PolarHBondContact O-N 3.13Å; E27-A30 WeakPolarHBondContact O-CB 3.42Å; E27-A30 PolarHBondContact O-N 2.95Å; E27-A30 VanDerWaalsContact O-N 3.15Å; E27-D31 PolarHBondContact O-N 3.29Å; E27-D31 VanDerWaalsContact O-N 3.08Å |
| 28 | R | 98.4 | Very high | 98 | Very high | 149 Ų | 149 | 97.4 Ų | 97.4 | 56% | 0.562 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.1 | -35.7 | 176.8 | -63.7 | -174 | -147.8 | 113.6 | 12.3 | 113.1 | T24 N25 Y32 | T24-R28 WeakPolarHBondContact O-CG 3.48Å; T24-R28 PolarHBondContact O-N 3.34Å; T24-R28 PolarHBondContact OG1-NH2 3.46Å; N25-R28 PolarHBondContact O-N 3.48Å; N25-R28 PolarHBondContact OD1-NH1 3.29Å; R28-Y32 VanDerWaalsContact O-CB 3.3Å; R28-Y32 WeakPolarHBondContact O-CB 3.32Å; R28-Y32 PolarHBondContact O-N 3.25Å |
| 29 | V | 98.6 | Very high | 98 | Very high | 78 Ų | 78 | 100 Ų | 100 | 47% | 0.473 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68 | -39.2 | 177.1 | 168.1 | 0 | 0 | 0 | 0 | 110.7 | N25 L26 E27 Y32 C33 | N25-V29 WeakPolarHBondContact O-CB 3.34Å; N25-V29 VanDerWaalsContact O-CG2 3.27Å; N25-V29 WeakPolarHBondContact O-CG2 3.24Å; N25-V29 PolarHBondContact O-N 3.16Å; L26-V29 PolarHBondContact O-N 2.95Å; E27-V29 VanDerWaalsContact C-N 3.29Å; E27-V29 PolarHBondContact O-N 3.13Å; V29-Y32 PolarHBondContact O-N 2.94Å; V29-C33 WeakPolarHBondContact O-CB 3.22Å; V29-C33 PolarHBondContact O-N 2.71Å; V29-C33 PolarHBondContact O-SG 2.93Å |
| 30 | A | 98.4 | Very high | 98 | Very high | 58 Ų | 58 | 97.5 Ų | 97.5 | 48% | 0.479 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.7 | -50.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | L26 E27 Y32 C33 E34 | L26-A30 WeakPolarHBondContact O-CB 3.3Å; L26-A30 PolarHBondContact O-N 3.34Å; E27-A30 WeakPolarHBondContact O-CB 3.42Å; E27-A30 PolarHBondContact O-N 2.95Å; E27-A30 VanDerWaalsContact O-N 3.15Å; A30-Y32 VanDerWaalsContact C-N 3.3Å; A30-Y32 PolarHBondContact O-N 3.49Å; A30-C33 PolarHBondContact O-N 2.99Å; A30-E34 PolarHBondContact O-N 3.13Å |
| 31 | D | 98.1 | Very high | 98 | Very high | 86 Ų | 86 | 93.8 Ų | 93.8 | 46% | 0.46 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 176.2 | -68.4 | -19 | 0 | 0 | 0 | 111.6 | E27 E34 N35 | E27-D31 PolarHBondContact O-N 3.29Å; E27-D31 VanDerWaalsContact O-N 3.08Å; D31-E34 PolarHBondContact O-N 3.04Å; D31-N35 WeakPolarHBondContact O-CB 3.24Å; D31-N35 PolarHBondContact O-N 3.39Å; D31-N35 PolarHBondContact O-ND2 3.04Å |
| 32 | Y | 98.4 | Very high | 98 | Very high | 152 Ų | 152 | 94.5 Ų | 94.5 | 60% | 0.596 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.1 | -46.4 | 177.5 | 172.2 | -96 | 0 | 0 | 0 | 111.7 | R28 V29 A30 E34 N35 N36 | R28-Y32 VanDerWaalsContact O-CB 3.3Å; R28-Y32 WeakPolarHBondContact O-CB 3.32Å; R28-Y32 PolarHBondContact O-N 3.25Å; V29-Y32 PolarHBondContact O-N 2.94Å; A30-Y32 VanDerWaalsContact C-N 3.3Å; A30-Y32 PolarHBondContact O-N 3.49Å; Y32-E34 PolarHBondContact O-N 3.22Å; Y32-N35 PolarHBondContact O-N 2.81Å; Y32-N36 HydrophobicContact CE1-CB 4.33Å; Y32-N36 WeakPolarHBondContact O-CB 3.34Å; Y32-N36 PolarHBondContact O-N 3.49Å |
| 33 | C | 98.1 | Very high | 98 | Very high | 68 Ų | 68 | 96.1 Ų | 96.1 | 46% | 0.459 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | -179.1 | -74.6 | 0 | 0 | 0 | 0 | 111.8 | V29 A30 Y37 | V29-C33 WeakPolarHBondContact O-CB 3.22Å; V29-C33 PolarHBondContact O-N 2.71Å; V29-C33 PolarHBondContact O-SG 2.93Å; A30-C33 PolarHBondContact O-N 2.99Å; C33-Y37 WeakPolarHBondContact O-CB 3.4Å; C33-Y37 PolarHBondContact O-N 3.35Å |
| 34 | E | 97.4 | Very high | 98.1 | Very high | 125 Ų | 125 | 94.1 Ų | 94.1 | 58% | 0.584 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.2 | -51.6 | 176.9 | -176.3 | 175.8 | 173.9 | 0 | 0 | 111.3 | A30 D31 Y32 N36 Y37 I38 | A30-E34 PolarHBondContact O-N 3.13Å; D31-E34 PolarHBondContact O-N 3.04Å; Y32-E34 PolarHBondContact O-N 3.22Å; E34-N36 VanDerWaalsContact C-N 3.33Å; E34-N36 PolarHBondContact O-N 2.98Å; E34-Y37 PolarHBondContact O-N 2.92Å; E34-I38 HydrophobicContact CG-CD1 3.96Å; E34-I38 WeakPolarHBondContact O-CG1 3.3Å; E34-I38 PolarHBondContact O-N 3.07Å |
| 35 | N | 97.9 | Very high | 98.1 | Very high | 86 Ų | 86 | 99.4 Ų | 99.4 | 46% | 0.46 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 179.8 | -75.7 | -54.8 | 0 | 0 | 0 | 112 | D31 Y32 Y37 Q39 | D31-N35 WeakPolarHBondContact O-CB 3.24Å; D31-N35 PolarHBondContact O-N 3.39Å; D31-N35 PolarHBondContact O-ND2 3.04Å; Y32-N35 PolarHBondContact O-N 2.81Å; N35-Y37 VanDerWaalsContact C-N 3.35Å; N35-Q39 WeakPolarHBondContact O-CB 3.27Å; N35-Q39 VanDerWaalsContact O-CG 3.22Å; N35-Q39 WeakPolarHBondContact O-CG 3.47Å; N35-Q39 PolarHBondContact O-N 3.01Å |
| 36 | N | 98.1 | Very high | 98.1 | Very high | 72 Ų | 72 | 100 Ų | 100 | 39% | 0.385 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 178.1 | -178.2 | -99 | 0 | 0 | 0 | 111.6 | Y32 E34 T40 | Y32-N36 HydrophobicContact CE1-CB 4.33Å; Y32-N36 WeakPolarHBondContact O-CB 3.34Å; Y32-N36 PolarHBondContact O-N 3.49Å; E34-N36 VanDerWaalsContact C-N 3.33Å; E34-N36 PolarHBondContact O-N 2.98Å; N36-T40 VanDerWaalsContact O-CB 3.24Å; N36-T40 WeakPolarHBondContact O-CB 3.1Å; N36-T40 PolarHBondContact O-N 3.2Å; N36-T40 PolarHBondContact O-OG1 2.9Å |
| 37 | Y | 97.4 | Very high | 98.1 | Very high | 165 Ų | 165 | 101.5 Ų | 101.5 | 65% | 0.647 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.3 | -51.3 | 178.2 | -177.8 | -97.2 | 0 | 0 | 0 | 111.3 | C33 E34 N35 Q39 T40 V41 | C33-Y37 WeakPolarHBondContact O-CB 3.4Å; C33-Y37 PolarHBondContact O-N 3.35Å; E34-Y37 PolarHBondContact O-N 2.92Å; N35-Y37 VanDerWaalsContact C-N 3.35Å; Y37-Q39 PolarHBondContact O-N 3.32Å; Y37-T40 PolarHBondContact O-N 2.89Å; Y37-V41 HydrophobicContact CE1-CG2 4.16Å; Y37-V41 WeakPolarHBondContact O-CG2 3.38Å; Y37-V41 PolarHBondContact O-N 2.75Å |
| 38 | I | 96.6 | Very high | 98.1 | Very high | 79 Ų | 79 | 98.9 Ų | 98.9 | 41% | 0.405 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.4 | -51.3 | 179.7 | -65.1 | 168.1 | 0 | 0 | 0 | 110.4 | E34 T40 V41 D42 | E34-I38 HydrophobicContact CG-CD1 3.96Å; E34-I38 WeakPolarHBondContact O-CG1 3.3Å; E34-I38 PolarHBondContact O-N 3.07Å; I38-T40 VanDerWaalsContact C-N 3.28Å; I38-T40 PolarHBondContact O-N 3.01Å; I38-V41 PolarHBondContact O-N 3.42Å; I38-V41 VanDerWaalsContact O-N 3.13Å; I38-D42 PolarHBondContact O-N 2.95Å |
| 39 | Q | 97.8 | Very high | 98.1 | Very high | 110 Ų | 110 | 94 Ų | 94 | 51% | 0.514 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 179.5 | -72.3 | 176 | 38.9 | 0 | 0 | 112.2 | N35 Y37 V41 D42 I43 | N35-Q39 WeakPolarHBondContact O-CB 3.27Å; N35-Q39 VanDerWaalsContact O-CG 3.22Å; N35-Q39 WeakPolarHBondContact O-CG 3.47Å; N35-Q39 PolarHBondContact O-N 3.01Å; Y37-Q39 PolarHBondContact O-N 3.32Å; Q39-V41 VanDerWaalsContact C-N 3.32Å; Q39-V41 PolarHBondContact O-N 3.39Å; Q39-D42 PolarHBondContact O-N 3.46Å; Q39-I43 WeakPolarHBondContact O-CB 3.36Å; Q39-I43 WeakPolarHBondContact O-CD1 3.41Å; Q39-I43 WeakPolarHBondContact O-CG1 3.5Å; Q39-I43 PolarHBondContact O-N 2.96Å |
| 40 | T | 98.1 | Very high | 98.1 | Very high | 76 Ų | 76 | 98.2 Ų | 98.2 | 47% | 0.466 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 178.4 | -62.4 | 0 | 0 | 0 | 0 | 111.3 | N36 Y37 I38 H44 | N36-T40 VanDerWaalsContact O-CB 3.24Å; N36-T40 WeakPolarHBondContact O-CB 3.1Å; N36-T40 PolarHBondContact O-N 3.2Å; N36-T40 PolarHBondContact O-OG1 2.9Å; Y37-T40 PolarHBondContact O-N 2.89Å; I38-T40 VanDerWaalsContact C-N 3.28Å; I38-T40 PolarHBondContact O-N 3.01Å; T40-H44 WeakPolarHBondContact O-CB 3.42Å; T40-H44 PolarHBondContact O-N 3.19Å |
| 41 | V | 98.2 | Very high | 98.1 | Very high | 53 Ų | 53 | 105 Ų | 105 | 32% | 0.321 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -47.6 | 174.6 | 174 | 0 | 0 | 0 | 0 | 110.5 | Y37 I38 Q39 I43 H44 K45 | Y37-V41 HydrophobicContact CE1-CG2 4.16Å; Y37-V41 WeakPolarHBondContact O-CG2 3.38Å; Y37-V41 PolarHBondContact O-N 2.75Å; I38-V41 PolarHBondContact O-N 3.42Å; I38-V41 VanDerWaalsContact O-N 3.13Å; Q39-V41 VanDerWaalsContact C-N 3.32Å; Q39-V41 PolarHBondContact O-N 3.39Å; V41-I43 PolarHBondContact O-N 3.45Å; V41-H44 WeakPolarHBondContact O-CB 3.32Å; V41-H44 PolarHBondContact O-N 3.37Å; V41-H44 VanDerWaalsContact O-N 3.1Å; V41-K45 HydrophobicContact CG1-CG 4.2Å; V41-K45 VanDerWaalsContact O-CG 3.3Å; V41-K45 WeakPolarHBondContact O-CG 3.24Å; V41-K45 PolarHBondContact O-N 2.93Å |
| 42 | D | 97.9 | Very high | 98.2 | Very high | 99 Ų | 99 | 107 Ų | 107 | 53% | 0.529 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 179.7 | -70.8 | -20 | 0 | 0 | 0 | 111.9 | I38 Q39 H44 K45 E46 | I38-D42 PolarHBondContact O-N 2.95Å; Q39-D42 PolarHBondContact O-N 3.46Å; D42-H44 VanDerWaalsContact C-N 3.29Å; D42-H44 PolarHBondContact O-N 3.47Å; D42-K45 PolarHBondContact O-N 3.47Å; D42-E46 WeakPolarHBondContact O-CB 3.36Å; D42-E46 PolarHBondContact O-N 2.83Å |
| 43 | I | 98.5 | Very high | 98.2 | Very high | 90 Ų | 90 | 104.5 Ų | 104.5 | 46% | 0.462 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 174.4 | -71.1 | 166.1 | 0 | 0 | 0 | 110.5 | Q39 V41 K47 | Q39-I43 WeakPolarHBondContact O-CB 3.36Å; Q39-I43 WeakPolarHBondContact O-CD1 3.41Å; Q39-I43 WeakPolarHBondContact O-CG1 3.5Å; Q39-I43 PolarHBondContact O-N 2.96Å; V41-I43 PolarHBondContact O-N 3.45Å; I43-K47 HydrophobicContact CG2-CD 3.99Å; I43-K47 HydrophobicContact CG2-CG 4.49Å; I43-K47 WeakPolarHBondContact O-CB 3.44Å; I43-K47 VanDerWaalsContact O-CG 3.24Å; I43-K47 WeakPolarHBondContact O-CG 3.49Å; I43-K47 PolarHBondContact O-N 2.75Å |
| 44 | H | 98.6 | Very high | 98.2 | Very high | 109 Ų | 109 | 102.8 Ų | 102.8 | 51% | 0.505 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65 | -46.2 | 178 | 177 | 79.8 | 0 | 0 | 0 | 111.6 | T40 V41 D42 E46 K47 V48 | T40-H44 WeakPolarHBondContact O-CB 3.42Å; T40-H44 PolarHBondContact O-N 3.19Å; V41-H44 WeakPolarHBondContact O-CB 3.32Å; V41-H44 PolarHBondContact O-N 3.37Å; V41-H44 VanDerWaalsContact O-N 3.1Å; D42-H44 VanDerWaalsContact C-N 3.29Å; D42-H44 PolarHBondContact O-N 3.47Å; H44-E46 PolarHBondContact O-N 3.27Å; H44-K47 WeakPolarHBondContact O-CB 3.48Å; H44-K47 PolarHBondContact O-N 2.69Å; H44-V48 WeakPolarHBondContact O-CG2 3.37Å; H44-V48 PolarHBondContact O-N 2.84Å |
| 45 | K | 98.3 | Very high | 98.2 | Very high | 136 Ų | 136 | 103.3 Ų | 103.3 | 59% | 0.591 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.3 | -46.5 | 178.3 | -69.1 | -68.6 | -178.8 | -180 | 0 | 111.3 | V41 D42 K47 V48 A49 | V41-K45 HydrophobicContact CG1-CG 4.2Å; V41-K45 VanDerWaalsContact O-CG 3.3Å; V41-K45 WeakPolarHBondContact O-CG 3.24Å; V41-K45 PolarHBondContact O-N 2.93Å; D42-K45 PolarHBondContact O-N 3.47Å; K45-K47 PolarHBondContact O-N 3.39Å; K45-V48 PolarHBondContact O-N 3.28Å; K45-A49 PolarHBondContact O-N 3.48Å |
| 46 | E | 98.4 | Very high | 98.3 | Very high | 89 Ų | 89 | 106.1 Ų | 106.1 | 42% | 0.416 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 175.9 | 179.4 | 63.5 | -175.9 | 0 | 0 | 111.8 | D42 H44 V48 A49 R50 | D42-E46 WeakPolarHBondContact O-CB 3.36Å; D42-E46 PolarHBondContact O-N 2.83Å; H44-E46 PolarHBondContact O-N 3.27Å; E46-V48 PolarHBondContact O-N 2.89Å; E46-A49 PolarHBondContact O-N 3.03Å; E46-R50 HydrophobicContact CG-CG 4.47Å; E46-R50 WeakPolarHBondContact O-CB 3.46Å; E46-R50 WeakPolarHBondContact O-CG 3.19Å; E46-R50 PolarHBondContact O-N 3.1Å; E46-R50 IonicContact OE1-CZ 3.08Å; E46-R50 IonicContact OE1-NE 2.69Å; E46-R50 PolarHBondContact OE1-NE 3.45Å; E46-R50 IonicContact OE1-NH2 2.75Å; E46-R50 PolarHBondContact OE1-NH2 3.36Å |
| 47 | K | 98.6 | Very high | 98.2 | Very high | 141 Ų | 141 | 107.1 Ų | 107.1 | 61% | 0.613 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.2 | -41.4 | 176 | -79.5 | 174.5 | 179.3 | 176.3 | 0 | 112.3 | I43 H44 K45 R51 | I43-K47 HydrophobicContact CG2-CD 3.99Å; I43-K47 HydrophobicContact CG2-CG 4.49Å; I43-K47 WeakPolarHBondContact O-CB 3.44Å; I43-K47 VanDerWaalsContact O-CG 3.24Å; I43-K47 WeakPolarHBondContact O-CG 3.49Å; I43-K47 PolarHBondContact O-N 2.75Å; H44-K47 WeakPolarHBondContact O-CB 3.48Å; H44-K47 PolarHBondContact O-N 2.69Å; K45-K47 PolarHBondContact O-N 3.39Å; K47-R51 WeakPolarHBondContact O-CB 3.45Å; K47-R51 PolarHBondContact O-N 3.35Å |
| 48 | V | 98.7 | Very high | 98.3 | Very high | 56 Ų | 56 | 105.5 Ų | 105.5 | 34% | 0.339 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.5 | -49.9 | 175.8 | 171.9 | 0 | 0 | 0 | 0 | 110 | H44 K45 E46 R50 R51 E52 | H44-V48 WeakPolarHBondContact O-CG2 3.37Å; H44-V48 PolarHBondContact O-N 2.84Å; K45-V48 PolarHBondContact O-N 3.28Å; E46-V48 PolarHBondContact O-N 2.89Å; V48-R50 PolarHBondContact O-N 2.96Å; V48-R51 WeakPolarHBondContact O-CB 3.38Å; V48-R51 PolarHBondContact O-N 2.88Å; V48-R51 VanDerWaalsContact O-N 3.11Å; V48-E52 PolarHBondContact O-N 3.11Å |
| 49 | A | 98.7 | Very high | 98.3 | Very high | 47 Ų | 47 | 108.3 Ų | 108.3 | 39% | 0.388 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -58.4 | -44.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K45 E46 R51 E52 I53 | K45-A49 PolarHBondContact O-N 3.48Å; E46-A49 PolarHBondContact O-N 3.03Å; A49-R51 VanDerWaalsContact C-N 3.34Å; A49-R51 PolarHBondContact O-N 3.29Å; A49-E52 PolarHBondContact O-N 3.38Å; A49-I53 WeakPolarHBondContact O-CG2 3.35Å; A49-I53 PolarHBondContact O-N 3.44Å |
| 50 | R | 98.7 | Very high | 98.2 | Very high | 165 Ų | 165 | 111.6 Ų | 111.6 | 62% | 0.623 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.5 | -36.4 | 175.6 | -75.5 | -172.3 | -172.5 | 166.2 | 9.4 | 113.1 | E46 V48 I53 G54 | E46-R50 HydrophobicContact CG-CG 4.47Å; E46-R50 WeakPolarHBondContact O-CB 3.46Å; E46-R50 WeakPolarHBondContact O-CG 3.19Å; E46-R50 PolarHBondContact O-N 3.1Å; E46-R50 IonicContact OE1-CZ 3.08Å; E46-R50 IonicContact OE1-NE 2.69Å; E46-R50 PolarHBondContact OE1-NE 3.45Å; E46-R50 IonicContact OE1-NH2 2.75Å; E46-R50 PolarHBondContact OE1-NH2 3.36Å; V48-R50 PolarHBondContact O-N 2.96Å; R50-I53 WeakPolarHBondContact O-CG2 3.36Å; R50-G54 WeakPolarHBondContact O-CA 3.47Å; R50-G54 PolarHBondContact O-N 3.33Å |
| 51 | R | 98.4 | Very high | 98 | Very high | 201 Ų | 201 | 115.5 Ų | 115.5 | 76% | 0.758 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.9 | -43.2 | 175.3 | -177.5 | 178.9 | 179.2 | -177.9 | -0.7 | 111.1 | K47 V48 A49 G54 I55 | K47-R51 WeakPolarHBondContact O-CB 3.45Å; K47-R51 PolarHBondContact O-N 3.35Å; V48-R51 WeakPolarHBondContact O-CB 3.38Å; V48-R51 PolarHBondContact O-N 2.88Å; V48-R51 VanDerWaalsContact O-N 3.11Å; A49-R51 VanDerWaalsContact C-N 3.34Å; A49-R51 PolarHBondContact O-N 3.29Å; R51-G54 PolarHBondContact O-N 2.96Å; R51-I55 PolarHBondContact O-N 2.96Å |
| 52 | E | 98.6 | Very high | 97.8 | Very high | 129 Ų | 129 | 118.6 Ų | 118.6 | 60% | 0.603 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.6 | -51.5 | 177.8 | -72.6 | -179.2 | -178.8 | 0 | 0 | 111.8 | V48 A49 G54 I55 | V48-E52 PolarHBondContact O-N 3.11Å; A49-E52 PolarHBondContact O-N 3.38Å; E52-G54 VanDerWaalsContact C-N 3.26Å; E52-G54 PolarHBondContact O-N 3.43Å; E52-I55 PolarHBondContact O-N 2.89Å |
| 53 | I | 98.5 | Very high | 97.6 | Very high | 98 Ų | 98 | 118.7 Ų | 118.7 | 50% | 0.503 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.2 | -33 | 176.6 | -169 | 60.4 | 0 | 0 | 0 | 111.6 | A49 R50 I55 L56 T57 | A49-I53 WeakPolarHBondContact O-CG2 3.35Å; A49-I53 PolarHBondContact O-N 3.44Å; R50-I53 WeakPolarHBondContact O-CG2 3.36Å; I53-I55 PolarHBondContact O-N 3.23Å; I53-L56 HydrophobicContact CD1-CD1 4.41Å; I53-L56 PolarHBondContact O-N 3.38Å; I53-T57 WeakPolarHBondContact O-CG2 3.45Å; I53-T57 PolarHBondContact O-N 2.95Å |
| 54 | G | 98.6 | Very high | 97.5 | Very high | 32 Ų | 32 | 125.4 Ų | 125.4 | 33% | 0.33 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -57.2 | -33.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R50 R51 E52 L56 T57 | R50-G54 WeakPolarHBondContact O-CA 3.47Å; R50-G54 PolarHBondContact O-N 3.33Å; R51-G54 PolarHBondContact O-N 2.96Å; E52-G54 VanDerWaalsContact C-N 3.26Å; E52-G54 PolarHBondContact O-N 3.43Å; G54-L56 PolarHBondContact O-N 3.35Å; G54-T57 PolarHBondContact O-N 3.28Å; G54-T57 VanDerWaalsContact O-N 3.15Å; G54-T57 PolarHBondContact O-OG1 2.88Å |
| 55 | I | 98.3 | Very high | 97.3 | Very high | 137 Ų | 137 | 125 Ų | 125 | 70% | 0.703 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -61.9 | -32.1 | 175.6 | -63.5 | 167.6 | 0 | 0 | 0 | 111.5 | R51 E52 I53 T57 | R51-I55 PolarHBondContact O-N 2.96Å; E52-I55 PolarHBondContact O-N 2.89Å; I53-I55 PolarHBondContact O-N 3.23Å; I55-T57 VanDerWaalsContact C-N 3.33Å |
| 56 | L | 98.4 | Very high | 97.2 | Very high | 145 Ų | 145 | 125.1 Ų | 125.1 | 76% | 0.759 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 1.1 | -179 | -57.6 | 176.9 | 0 | 0 | 0 | 113 | I53 G54 | I53-L56 HydrophobicContact CD1-CD1 4.41Å; I53-L56 PolarHBondContact O-N 3.38Å; G54-L56 PolarHBondContact O-N 3.35Å |
| 57 | T | 98 | Very high | 97.1 | Very high | 92 Ų | 92 | 131.2 Ų | 131.2 | 56% | 0.564 | 66% | 0.66 | S | S | * | * | trans | -107.2 | 154.5 | 179.4 | 66.6 | 0 | 0 | 0 | 0 | 111.9 | I53 G54 I55 | I53-T57 WeakPolarHBondContact O-CG2 3.45Å; I53-T57 PolarHBondContact O-N 2.95Å; G54-T57 PolarHBondContact O-N 3.28Å; G54-T57 VanDerWaalsContact O-N 3.15Å; G54-T57 PolarHBondContact O-OG1 2.88Å; I55-T57 VanDerWaalsContact C-N 3.33Å | ||
| 58 | T | 97.8 | Very high | 96.9 | Very high | 132 Ų | 132 | 131.8 Ų | 131.8 | 81% | 0.81 | 67% | 0.668 | S | S | * | * | trans | -139.1 | 163.2 | 167.3 | -172.4 | 0 | 0 | 0 | 0 | 109.1 | K60 | T58-K60 PolarHBondContact O-N 3.15Š| ||
| 59 | N | 97 | Very high | 96.8 | Very high | 137 Ų | 137 | 135.2 Ų | 135.2 | 73% | 0.733 | 68% | 0.683 | S | S | * | * | trans | -64 | 125.3 | 179.3 | -72.6 | -10.9 | 0 | 0 | 0 | 110.2 | N61 | N59-N61 PolarHBondContact O-N 3.37Å; N59-N61 PolarHBondContact O-OD1 3.42Å | ||
| 60 | K | 96.5 | Very high | 96.6 | Very high | 180 Ų | 180 | 136.2 Ų | 136.2 | 78% | 0.783 | 69% | 0.691 | S | S | * | * | trans | -79 | 111.9 | 165.7 | 67.8 | -176.5 | -177.2 | -178 | 0 | 108.9 | T58 T62 | T58-K60 PolarHBondContact O-N 3.15Å; K60-T62 HydrophobicContact CG-CG2 4.45Å; K60-T62 PolarHBondContact O-N 3.45Å | ||
| 61 | N | 93.6 | Very high | 96.4 | Very high | 158 Ų | 158 | 132.7 Ų | 132.7 | 85% | 0.845 | 69% | 0.69 | S | S | * | * | trans | -77.6 | 74.2 | 175 | -57.3 | 94.4 | 0 | 0 | 0 | 109.7 | N59 | N59-N61 PolarHBondContact O-N 3.37Å; N59-N61 PolarHBondContact O-OD1 3.42Å | ||
| 62 | T | 94.1 | Very high | 96.3 | Very high | 117 Ų | 117 | 128.1 Ų | 128.1 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | trans | -89.2 | 118.5 | 171.3 | -172.7 | 0 | 0 | 0 | 0 | 109 | K60 | K60-T62 HydrophobicContact CG-CG2 4.45Å; K60-T62 PolarHBondContact O-N 3.45Å | ||
| 63 | S | 93.1 | Very high | 96.1 | Very high | 101 Ų | 101 | 129 Ų | 129 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | trans | -107.5 | 145.3 | 173.1 | 63.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 64 | R | 96.2 | Very high | 95.9 | Very high | 232 Ų | 232 | 130.6 Ų | 130.6 | 88% | 0.875 | 71% | 0.712 | S | S | * | * | trans | -104.9 | 124.1 | 176.9 | -174.2 | 173.3 | -179.6 | -85 | 2.7 | 108.5 | ||||
| 65 | T | 94.7 | Very high | 95.7 | Very high | 99 Ų | 99 | 137.9 Ų | 137.9 | 61% | 0.607 | 74% | 0.738 | S | S | * | * | trans | -119.4 | 158.1 | 178.4 | 61.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 66 | H | 96.7 | Very high | 95.4 | Very high | 140 Ų | 140 | 141.7 Ų | 141.7 | 65% | 0.648 | 74% | 0.743 | S | S | * | * | trans | -73.8 | 146.7 | 172.5 | -68.5 | -94.7 | 0 | 0 | 0 | 109.8 | I68 I69 | H66-I68 PolarHBondContact O-N 2.86Å; H66-I69 HydrophobicContact CB-CG1 4.25Å | ||
| 67 | K | 95.9 | Very high | 95.3 | Very high | 217 Ų | 217 | 141.2 Ų | 141.2 | 94% | 0.943 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -60.2 | -32 | 178.9 | -64.6 | -177.4 | -178.9 | -178.8 | 0 | 112.8 | ||
| 68 | I | 95.1 | Very high | 95.2 | Very high | 152 Ų | 152 | 143.1 Ų | 143.1 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -131.7 | 125.8 | 177 | -56.3 | 175 | 0 | 0 | 0 | 106.7 | H66 | H66-I68 PolarHBondContact O-N 2.86Š| ||
| 69 | I | 95.8 | Very high | 95.1 | Very high | 128 Ų | 128 | 146.7 Ų | 146.7 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | trans | -116.3 | 104.7 | 172.8 | -58.4 | 173.1 | 0 | 0 | 0 | 105.8 | H66 | H66-I69 HydrophobicContact CB-CG1 4.25Š| ||
| 70 | A | 94.3 | Very high | 95.1 | Very high | 69 Ų | 69 | 149 Ų | 149 | 57% | 0.57 | 76% | 0.759 | S | S | * | * | trans | -67.3 | 142.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 71 | P | 95.3 | Very high | 95.1 | Very high | 91 Ų | 91 | 145.7 Ų | 145.7 | 59% | 0.591 | 75% | 0.748 | S | S | * | * | trans | -63.5 | 149.7 | 175 | 27.5 | -33.4 | 0 | 0 | 0 | 110.4 | N73 L74 | P71-N73 PolarHBondContact O-N 3.42Å; P71-L74 HydrophobicContact CG-CD2 4.27Å | ||
| 72 | A | 95.1 | Very high | 95.3 | Very high | 104 Ų | 104 | 148.1 Ų | 148.1 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -60.3 | -35.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 73 | N | 95.4 | Very high | 95.4 | Very high | 147 Ų | 147 | 150.9 Ų | 150.9 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -110.8 | 111.5 | 175.8 | -66 | -52.6 | 0 | 0 | 0 | 109.2 | P71 | P71-N73 PolarHBondContact O-N 3.42Š|
| 74 | L | 93.5 | Very high | 95.5 | Very high | 132 Ų | 132 | 151.8 Ų | 151.8 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 136.8 | 173.2 | -60.3 | 176 | 0 | 0 | 0 | 109.9 | P71 R76 | P71-L74 HydrophobicContact CG-CD2 4.27Å; L74-R76 PolarHBondContact O-N 3.25Å |
| 75 | E | 94.3 | Very high | 95.5 | Very high | 185 Ų | 185 | 147.1 Ų | 147.1 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 132.4 | 176.4 | -173.8 | 177.3 | 169.6 | 0 | 0 | 110.4 | ||
| 76 | R | 93.5 | Very high | 95.5 | Very high | 217 Ų | 217 | 146.4 Ų | 146.4 | 82% | 0.819 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 127.5 | -178.9 | -67.1 | -179 | -178.7 | 152 | 1 | 109.5 | L74 V78 | L74-R76 PolarHBondContact O-N 3.25Å; R76-V78 PolarHBondContact O-N 3.28Å; R76-V78 VanDerWaalsContact O-N 3.11Å |
| 77 | P | 95.1 | Very high | 95.3 | Very high | 135 Ų | 135 | 148.8 Ų | 148.8 | 88% | 0.877 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 117.5 | 174.8 | -24.4 | 34.3 | 0 | 0 | 0 | 111.3 | ||
| 78 | V | 96.1 | Very high | 95.2 | Very high | 133 Ų | 133 | 142.2 Ų | 142.2 | 81% | 0.806 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 127.3 | 176.9 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | R76 | R76-V78 PolarHBondContact O-N 3.28Å; R76-V78 VanDerWaalsContact O-N 3.11Å |
| 79 | R | 96.8 | Very high | 95.2 | Very high | 207 Ų | 207 | 140.6 Ų | 140.6 | 78% | 0.781 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 135.8 | 177.4 | -169.7 | 176 | 67.1 | 150.3 | -0.9 | 110.4 | ||
| 80 | Y | 97 | Very high | 95.1 | Very high | 185 Ų | 185 | 140 Ų | 140 | 73% | 0.725 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -59 | 137.4 | 171 | 175.4 | -104.1 | 0 | 0 | 0 | 111.9 | R82 | Y80-R82 HydrophobicContact CE1-CB 4.47Å; Y80-R82 HydrophobicContact CE1-CG 3.48Å; Y80-R82 VanDerWaalsContact CE1-CG 3.48Å |
| 81 | I | 96 | Very high | 95 | Very high | 110 Ų | 110 | 138.2 Ų | 138.2 | 56% | 0.564 | 69% | 0.688 | S | S | * | * | trans | -134.3 | 124.8 | 175.3 | -61.4 | 167.4 | 0 | 0 | 0 | 107.3 | K83 | I81-K83 PolarHBondContact O-N 3.33Š| ||
| 82 | R | 96.8 | Very high | 94.9 | Very high | 210 Ų | 210 | 140.4 Ų | 140.4 | 79% | 0.792 | 69% | 0.694 | S | S | * | * | trans | -65.7 | 124.7 | 174.2 | -64.9 | -177.6 | 69.8 | -118.9 | 1.6 | 109.2 | Y80 | Y80-R82 HydrophobicContact CE1-CB 4.47Å; Y80-R82 HydrophobicContact CE1-CG 3.48Å; Y80-R82 VanDerWaalsContact CE1-CG 3.48Å | ||
| 83 | K | 96.4 | Very high | 94.9 | Very high | 175 Ų | 175 | 141.3 Ų | 141.3 | 76% | 0.761 | 68% | 0.683 | S | S | * | * | trans | -119.4 | 132.9 | 170 | -62.9 | -176.5 | 179.8 | -177.4 | 0 | 107.9 | I81 | I81-K83 PolarHBondContact O-N 3.33Š| ||
| 84 | P | 95.6 | Very high | 94.7 | Very high | 120 Ų | 120 | 137.6 Ų | 137.6 | 78% | 0.779 | 68% | 0.68 | S | S | * | * | trans | -62.8 | 163.7 | 172.9 | 29.2 | -34.5 | 0 | 0 | 0 | 110.3 | D86 | P84-D86 PolarHBondContact O-N 3.34Š| ||
| 85 | I | 95.4 | Very high | 94.6 | Very high | 134 Ų | 134 | 140.6 Ų | 140.6 | 69% | 0.687 | 69% | 0.69 | S | S | * | * | trans | -62.5 | 120.8 | 173.8 | -58.5 | 172.3 | 0 | 0 | 0 | 107.8 | Y87 | I85-Y87 HydrophobicContact CG2-CD1 4.09Å; I85-Y87 HydrophobicContact CG2-CD2 4.37Å; I85-Y87 HydrophobicContact CG2-CE1 3.66Å; I85-Y87 HydrophobicContact CG2-CE2 3.97Å; I85-Y87 HydrophobicContact CG2-CG 4.43Å | ||
| 86 | D | 94.8 | Very high | 94.1 | Very high | 83 Ų | 83 | 133.6 Ų | 133.6 | 44% | 0.444 | 67% | 0.667 | S | S | . | * | trans | -107.5 | 108.5 | 175.9 | -173.2 | -13.9 | 0 | 0 | 0 | 108.7 | P84 T88 I89 | P84-D86 PolarHBondContact O-N 3.34Å; D86-T88 PolarHBondContact O-N 3.36Å; D86-T88 WeakPolarHBondContact OD1-CB 3.34Å; D86-T88 PolarHBondContact OD1-N 3.29Å; D86-T88 PolarHBondContact OD1-OG1 3.11Å; D86-I89 HydrophobicContact CB-CG2 3.8Å; D86-I89 WeakPolarHBondContact OD2-CG2 3.23Å | ||
| 87 | Y | 93.5 | Very high | 93.6 | Very high | 191 Ų | 191 | 127 Ų | 127 | 75% | 0.749 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -0.7 | 179.8 | -63.6 | -71.1 | 0 | 0 | 0 | 113.6 | I85 | I85-Y87 HydrophobicContact CG2-CD1 4.09Å; I85-Y87 HydrophobicContact CG2-CD2 4.37Å; I85-Y87 HydrophobicContact CG2-CE1 3.66Å; I85-Y87 HydrophobicContact CG2-CE2 3.97Å; I85-Y87 HydrophobicContact CG2-CG 4.43Å |
| 88 | T | 93.3 | Very high | 93.1 | Very high | 78 Ų | 78 | 125.7 Ų | 125.7 | 48% | 0.479 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.2 | -11.8 | -172.8 | 69.9 | 0 | 0 | 0 | 0 | 114.2 | D86 L90 D91 | D86-T88 PolarHBondContact O-N 3.36Å; D86-T88 WeakPolarHBondContact OD1-CB 3.34Å; D86-T88 PolarHBondContact OD1-N 3.29Å; D86-T88 PolarHBondContact OD1-OG1 3.11Å; T88-L90 PolarHBondContact O-N 3.42Å; T88-D91 WeakPolarHBondContact O-CB 3.35Å; T88-D91 PolarHBondContact O-N 2.94Å |
| 89 | I | 95.3 | Very high | 91.9 | Very high | 119 Ų | 119 | 127.8 Ų | 127.8 | 61% | 0.61 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -15.2 | -175.7 | 61.2 | 176.4 | 0 | 0 | 0 | 114.8 | D86 | D86-I89 HydrophobicContact CB-CG2 3.8Å; D86-I89 WeakPolarHBondContact OD2-CG2 3.23Å |
| 90 | L | 94.7 | Very high | 90.3 | Very high | 116 Ų | 116 | 124.4 Ų | 124.4 | 61% | 0.607 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -2.6 | 177.3 | -56 | -178.8 | 0 | 0 | 0 | 112.9 | T88 D92 I93 | T88-L90 PolarHBondContact O-N 3.42Å; L90-D92 PolarHBondContact O-N 3.23Å; L90-I93 HydrophobicContact CD2-CD1 3.79Å; L90-I93 PolarHBondContact O-N 3.34Å |
| 91 | D | 91.6 | Very high | 88.5 | Confident | 31 Ų | 31 | 120.5 Ų | 120.5 | 17% | 0.166 | 61% | 0.613 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -64.1 | -26.5 | -174.6 | -79.1 | -7.3 | 0 | 0 | 0 | 112.9 | T88 G96 K98 | T88-D91 WeakPolarHBondContact O-CB 3.35Å; T88-D91 PolarHBondContact O-N 2.94Å; D91-G96 VanDerWaalsContact O-CA 3.23Å; D91-G96 WeakPolarHBondContact O-CA 3.42Å; D91-K98 HydrophobicContact CB-CG 4.39Å |
| 92 | D | 92.4 | Very high | 86.5 | Confident | 137 Ų | 137 | 123.3 Ų | 123.3 | 73% | 0.733 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -1.5 | 178.7 | -59 | -40.6 | 0 | 0 | 0 | 112.5 | L90 K98 | L90-D92 PolarHBondContact O-N 3.23Å; D92-K98 IonicContact OD1-NZ 3.86Å |
| 93 | I | 94.8 | Very high | 84.3 | Confident | 123 Ų | 123 | 120.3 Ų | 120.3 | 63% | 0.631 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 110.6 | 176.7 | -57.9 | 175.8 | 0 | 0 | 0 | 108.7 | L90 | L90-I93 HydrophobicContact CD2-CD1 3.79Å; L90-I93 PolarHBondContact O-N 3.34Å |
| 94 | G | 91.6 | Very high | 82.1 | Confident | 69 Ų | 69 | 119.8 Ų | 119.8 | 71% | 0.711 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.6 | -133.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 95 | H | 91.7 | Very high | 79.9 | Confident | 194 Ų | 194 | 119.2 Ų | 119.2 | 90% | 0.898 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 58.1 | 178.9 | -61.8 | 87 | 0 | 0 | 0 | 110.6 | ||
| 96 | G | 84.8 | Confident | 77.5 | Confident | 38 Ų | 38 | 117.8 Ų | 117.8 | 39% | 0.392 | 60% | 0.603 | S | S | . | * | trans | -64 | 151.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | D91 | D91-G96 VanDerWaalsContact O-CA 3.23Å; D91-G96 WeakPolarHBondContact O-CA 3.42Å | ||
| 97 | V | 81.1 | Confident | 75.1 | Confident | 78 Ų | 78 | 119.7 Ų | 119.7 | 47% | 0.473 | 62% | 0.618 | S | S | . | * | trans | -118.8 | 106.3 | -176.8 | 179.1 | 0 | 0 | 0 | 0 | 108.8 | W99 R102 | V97-W99 PolarHBondContact O-N 3.22Å; V97-R102 HydrophobicContact CG1-CB 4.48Å | ||
| 98 | K | 85.6 | Confident | 72.8 | Confident | 108 Ų | 108 | 119.5 Ų | 119.5 | 47% | 0.47 | 62% | 0.624 | S | S | . | * | trans | -64.4 | 122.3 | 177.7 | -64.9 | 180 | 179.2 | -179.1 | 0 | 109.4 | D91 D92 L100 L101 R102 | D91-K98 HydrophobicContact CB-CG 4.39Å; D92-K98 IonicContact OD1-NZ 3.86Å; K98-L100 PolarHBondContact O-N 3.02Å; K98-L101 HydrophobicContact CB-CB 4.08Å; K98-L101 WeakPolarHBondContact O-CA 3.49Å; K98-L101 VanDerWaalsContact O-CB 3.26Å; K98-L101 WeakPolarHBondContact O-CB 3.26Å; K98-L101 PolarHBondContact O-N 2.98Å; K98-R102 PolarHBondContact O-N 3.24Å; K98-R102 VanDerWaalsContact O-N 3.13Å | ||
| 99 | W | 70.3 | Confident | 70.5 | Confident | 178 Ų | 178 | 122.5 Ų | 122.5 | 67% | 0.674 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -53.8 | -39.2 | -177.9 | -177.6 | 88.9 | 0 | 0 | 0 | 112.5 | V97 L101 R102 F103 | V97-W99 PolarHBondContact O-N 3.22Å; W99-L101 VanDerWaalsContact C-N 3.28Å; W99-L101 PolarHBondContact O-N 2.85Å; W99-R102 WeakPolarHBondContact O-CB 3.37Å; W99-R102 PolarHBondContact O-N 2.63Å; W99-R102 VanDerWaalsContact O-N 3.16Å; W99-F103 HydrophobicContact CD2-CD2 4.24Å; W99-F103 HydrophobicContact CD2-CE2 4.13Å; W99-F103 AromaticContact CE2-CE2 3.47Å; W99-F103 VanDerWaalsContact CE2-CE2 3.47Å; W99-F103 HydrophobicContact CE3-CD2 4.47Å; W99-F103 HydrophobicContact CH2-CD2 4.29Å; W99-F103 HydrophobicContact CH2-CE2 4.07Å; W99-F103 HydrophobicContact CZ2-CD2 4.05Å; W99-F103 AromaticContact CZ2-CE2 3.44Å; W99-F103 HydrophobicContact CZ2-CE2 3.44Å; W99-F103 VanDerWaalsContact CZ2-CE2 3.44Å; W99-F103 HydrophobicContact CZ2-CZ 4.23Å; W99-F103 HydrophobicContact CZ3-CD2 4.5Å; W99-F103 AromaticContact NE1-CE2 3.71Å; W99-F103 PolarHBondContact O-N 3.36Å |
| 100 | L | 63.9 | Low | 67.8 | Low | 135 Ų | 135 | 125.6 Ų | 125.6 | 71% | 0.707 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.7 | -28.9 | 175.5 | -162.5 | 73.9 | 0 | 0 | 0 | 113.1 | K98 K104 | K98-L100 PolarHBondContact O-N 3.02Å; L100-K104 PolarHBondContact O-N 3.49Å |
| 101 | L | 58.4 | Low | 65.5 | Low | 103 Ų | 103 | 129.1 Ų | 129.1 | 54% | 0.539 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -76.4 | -29.8 | 175.3 | -128.8 | 73.1 | 0 | 0 | 0 | 111.5 | K98 W99 F103 K104 V105 | K98-L101 HydrophobicContact CB-CB 4.08Å; K98-L101 WeakPolarHBondContact O-CA 3.49Å; K98-L101 VanDerWaalsContact O-CB 3.26Å; K98-L101 WeakPolarHBondContact O-CB 3.26Å; K98-L101 PolarHBondContact O-N 2.98Å; W99-L101 VanDerWaalsContact C-N 3.28Å; W99-L101 PolarHBondContact O-N 2.85Å; L101-F103 VanDerWaalsContact C-N 3.31Å; L101-F103 PolarHBondContact O-N 3.43Å; L101-K104 PolarHBondContact O-N 3.37Å; L101-V105 WeakPolarHBondContact O-CB 3.22Å; L101-V105 WeakPolarHBondContact O-CG2 3.39Å; L101-V105 PolarHBondContact O-N 3.18Å |
| 102 | R | 54.2 | Low | 62.8 | Low | 170 Ų | 170 | 136.3 Ų | 136.3 | 64% | 0.642 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -66.6 | -30.8 | 176.6 | -160.1 | -175.7 | -75.7 | -116.5 | 4.2 | 112.5 | V97 K98 W99 | V97-R102 HydrophobicContact CG1-CB 4.48Å; K98-R102 PolarHBondContact O-N 3.24Å; K98-R102 VanDerWaalsContact O-N 3.13Å; W99-R102 WeakPolarHBondContact O-CB 3.37Å; W99-R102 PolarHBondContact O-N 2.63Å; W99-R102 VanDerWaalsContact O-N 3.16Å |
| 103 | F | 51.5 | Low | 60.4 | Low | 146 Ų | 146 | 133.5 Ų | 133.5 | 64% | 0.64 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -85.4 | -17.4 | 173 | -76.4 | -79.3 | 0 | 0 | 0 | 114.3 | W99 L101 | W99-F103 HydrophobicContact CD2-CD2 4.24Å; W99-F103 HydrophobicContact CD2-CE2 4.13Å; W99-F103 AromaticContact CE2-CE2 3.47Å; W99-F103 VanDerWaalsContact CE2-CE2 3.47Å; W99-F103 HydrophobicContact CE3-CD2 4.47Å; W99-F103 HydrophobicContact CH2-CD2 4.29Å; W99-F103 HydrophobicContact CH2-CE2 4.07Å; W99-F103 HydrophobicContact CZ2-CD2 4.05Å; W99-F103 AromaticContact CZ2-CE2 3.44Å; W99-F103 HydrophobicContact CZ2-CE2 3.44Å; W99-F103 VanDerWaalsContact CZ2-CE2 3.44Å; W99-F103 HydrophobicContact CZ2-CZ 4.23Å; W99-F103 HydrophobicContact CZ3-CD2 4.5Å; W99-F103 AromaticContact NE1-CE2 3.71Å; W99-F103 PolarHBondContact O-N 3.36Å; L101-F103 VanDerWaalsContact C-N 3.31Å; L101-F103 PolarHBondContact O-N 3.43Å |
| 104 | K | 50.7 | Low | 57.6 | Low | 165 Ų | 165 | 131.4 Ų | 131.4 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -92.9 | -14 | 175.5 | -161.5 | 162.2 | -178.8 | 176.9 | 0 | 113.4 | L100 L101 S106 | L100-K104 PolarHBondContact O-N 3.49Å; L101-K104 PolarHBondContact O-N 3.37Å; K104-S106 VanDerWaalsContact C-N 3.33Å; K104-S106 PolarHBondContact O-N 3.16Å |
| 105 | V | 48.7 | Very low | 55.3 | Low | 107 Ų | 107 | 136.3 Ų | 136.3 | 65% | 0.648 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 39.9 | 177 | -179.9 | 0 | 0 | 0 | 0 | 111 | L101 | L101-V105 WeakPolarHBondContact O-CB 3.22Å; L101-V105 WeakPolarHBondContact O-CG2 3.39Å; L101-V105 PolarHBondContact O-N 3.18Å |
| 106 | S | 45.6 | Very low | 53.3 | Low | 105 Ų | 105 | 132.5 Ų | 132.5 | 73% | 0.734 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.8 | 24.3 | 162.3 | -170.4 | 0 | 0 | 0 | 0 | 112.2 | K104 | K104-S106 VanDerWaalsContact C-N 3.33Å; K104-S106 PolarHBondContact O-N 3.16Å |
| 107 | T | 43.1 | Very low | 51.3 | Low | 123 Ų | 123 | 141.9 Ų | 141.9 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | trans | -146.2 | 75.9 | 168 | 17.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 108 | Q | 45.3 | Very low | 49.1 | Very low | 187 Ų | 187 | 143.4 Ų | 143.4 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | trans | -75.5 | 128.8 | 150.4 | -76.8 | -161.1 | -10.3 | 0 | 0 | 108.2 | ||||
| 109 | N | 45 | Very low | 47.7 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | trans | 95.9 | 83.2 | 148.3 | -134.7 | 25.3 | 0 | 0 | 0 | 118.4 | ||||
| 110 | M | 39.6 | Very low | 46.4 | Very low | 184 Ų | 184 | 141.4 Ų | 141.4 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | trans | -139.1 | 113.6 | 134.8 | -87.6 | -77.2 | 104.6 | 0 | 0 | 108.3 | ||||
| 111 | K | 45.4 | Very low | 45.5 | Very low | 191 Ų | 191 | 140.8 Ų | 140.8 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | trans | -74.6 | 114.1 | 173.6 | -175.9 | 173.4 | -178.1 | 177 | 0 | 108 | ||||
| 112 | M | 34.8 | Very low | 45.2 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | trans | -146.5 | 126.7 | 159.1 | -84.9 | -58.5 | -78.2 | 0 | 0 | 109.5 | ||||
| 113 | G | 42.8 | Very low | 44.8 | Very low | 78 Ų | 78 | 143.3 Ų | 143.3 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -70.9 | 155.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 114 | G | 35.9 | Very low | 44.8 | Very low | 78 Ų | 78 | 145.8 Ų | 145.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -170.9 | 129.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 115 | L | 42 | Very low | 44.7 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | -71.6 | 171.9 | -164.9 | -82 | 156.5 | 0 | 0 | 0 | 114.6 | ||||
| 116 | P | 51.3 | Low | 45.1 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | trans | -90.6 | -170.4 | -152 | 38.4 | -35.3 | 0 | 0 | 0 | 113.7 | ||||
| 117 | R | 41.3 | Very low | 45.6 | Very low | 234 Ų | 234 | 144.7 Ų | 144.7 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | 92.1 | 133.3 | 172 | -119 | 175 | 72.6 | 172.3 | 5.3 | 112.8 | ||||
| 118 | T | 36.6 | Very low | 46.2 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 68% | 0.675 | 81% | 0.813 | S | S | * | * | cis | -151.3 | 154.7 | 33.6 | 51.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 119 | T | 55.7 | Low | 46.6 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 152.9 | 171.3 | 44 | 0 | 0 | 0 | 0 | 113.1 | ||
| 120 | P | 42.3 | Very low | 46.8 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 140.2 | 175.3 | 32.9 | -31.4 | 0 | 0 | 0 | 111.1 | T122 | P120-T122 PolarHBondContact O-N 3.13Š|
| 121 | P | 45.2 | Very low | 47.4 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 128.1 | 170.4 | 28.4 | -29.7 | 0 | 0 | 0 | 110.2 | Q123 | P121-Q123 PolarHBondContact O-N 2.97Š|
| 122 | T | 52.2 | Low | 47.3 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 118.4 | 168.3 | 51.1 | 0 | 0 | 0 | 0 | 109.8 | P120 | P120-T122 PolarHBondContact O-N 3.13Š|
| 123 | Q | 45 | Very low | 48.1 | Very low | 187 Ų | 187 | 137.4 Ų | 137.4 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -122.5 | 112.6 | 158.7 | -83.8 | -175.7 | -9.2 | 0 | 0 | 109.2 | P121 | P121-Q123 PolarHBondContact O-N 2.97Š| ||
| 124 | K | 51.6 | Low | 48.1 | Very low | 198 Ų | 198 | 137.3 Ų | 137.3 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 146.6 | 168.9 | -79 | 175.4 | 174.2 | 175.8 | 0 | 109.6 | ||
| 125 | P | 49.5 | Very low | 48.7 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 145.1 | 166.1 | 29 | -31.4 | 0 | 0 | 0 | 109.8 | ||
| 126 | P | 58.1 | Low | 49 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 132.3 | 169.5 | 27.3 | -30.3 | 0 | 0 | 0 | 110.3 | ||
| 127 | S | 54.4 | Low | 48.6 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 157.7 | 168.7 | -62.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 128 | P | 57.4 | Low | 49 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 74% | 0.74 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 157.8 | -158.1 | 34.4 | -34.6 | 0 | 0 | 0 | 113.7 | ||
| 129 | P | 53.4 | Low | 49.5 | Very low | 130 Ų | 130 | 142 Ų | 142 | 84% | 0.844 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 152.3 | 164.4 | 30 | -30.5 | 0 | 0 | 0 | 112.1 | ||
| 130 | M | 48 | Very low | 49.2 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 163.6 | -160.4 | -62.7 | 178.8 | 64.2 | 0 | 0 | 116.1 | G132 | M130-G132 PolarHBondContact O-N 3.21Š|
| 131 | S | 52.7 | Low | 49.8 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | -42.4 | 118.6 | 166.6 | -61.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 132 | G | 44.3 | Very low | 49.7 | Very low | 77 Ų | 77 | 143.9 Ų | 143.9 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | -117.4 | 106.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | M130 | M130-G132 PolarHBondContact O-N 3.21Š| ||
| 133 | K | 51.3 | Low | 49.6 | Very low | 216 Ų | 216 | 148 Ų | 148 | 94% | 0.939 | 82% | 0.823 | S | S | * | * | trans | -33.3 | 127.6 | 169.3 | -151.2 | 166.9 | -178.9 | 179.4 | 0 | 114.6 | ||||
| 134 | G | 41.2 | Very low | 50.1 | Low | 77 Ų | 77 | 145.5 Ų | 145.5 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | -158.7 | 104 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 135 | T | 50.3 | Low | 50.5 | Low | 126 Ų | 126 | 143.5 Ų | 143.5 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -72.6 | 144.1 | 172.1 | 43.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 136 | L | 46.8 | Very low | 51 | Low | 179 Ų | 179 | 146.5 Ų | 146.5 | 94% | 0.937 | 82% | 0.822 | S | S | * | * | trans | 138.8 | 135.1 | 144.9 | -74.6 | 160.5 | 0 | 0 | 0 | 112.3 | ||||
| 137 | G | 43.4 | Very low | 51.6 | Low | 70 Ų | 70 | 146 Ų | 146 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | 116.3 | 70.5 | 157 | 0 | 0 | 0 | 0 | 0 | 115.8 | H139 | G137-H139 PolarHBondContact O-N 2.83Š| ||
| 138 | R | 49.6 | Very low | 52.2 | Low | 246 Ų | 246 | 147.4 Ų | 147.4 | 93% | 0.928 | 82% | 0.822 | S | S | * | * | trans | -76.6 | 97.7 | 170.4 | -165.2 | -177.8 | -163.5 | -114.9 | 6 | 109.5 | ||||
| 139 | H | 46.3 | Very low | 52.4 | Low | 187 Ų | 187 | 152.9 Ų | 152.9 | 87% | 0.866 | 83% | 0.828 | S | S | * | * | trans | -135.2 | 98.5 | 160.4 | -76.3 | -68.3 | 0 | 0 | 0 | 110.1 | G137 | G137-H139 PolarHBondContact O-N 2.83Š| ||
| 140 | S | 50 | Low | 52.8 | Low | 92 Ų | 92 | 151.7 Ų | 151.7 | 64% | 0.643 | 82% | 0.821 | S | S | * | * | trans | -86.8 | 128.2 | 163.7 | 176.2 | 0 | 0 | 0 | 0 | 108.1 | Y142 | S140-Y142 PolarHBondContact O-N 3.37Š| ||
| 141 | P | 55.8 | Low | 53.6 | Low | 114 Ų | 114 | 152.7 Ų | 152.7 | 74% | 0.74 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -81.3 | 2.8 | -179.6 | 32.6 | -32.7 | 0 | 0 | 0 | 113.5 | R143 | P141-R143 PolarHBondContact O-N 3.19Š|
| 142 | Y | 41.8 | Very low | 53.6 | Low | 199 Ų | 199 | 153.8 Ų | 153.8 | 78% | 0.78 | 84% | 0.837 | S | S | * | * | trans | -96.1 | 84.5 | 177.9 | -63.1 | -75.6 | 0 | 0 | 0 | 110.4 | S140 T144 | S140-Y142 PolarHBondContact O-N 3.37Å; Y142-T144 PolarHBondContact O-N 3.46Å | ||
| 143 | R | 51.3 | Low | 54.1 | Low | 227 Ų | 227 | 157.8 Ų | 157.8 | 86% | 0.857 | 84% | 0.839 | S | S | * | * | trans | -76.6 | 101.4 | 163 | -165.2 | -177.8 | -170.4 | 172.9 | 2.6 | 107.2 | P141 L145 | P141-R143 PolarHBondContact O-N 3.19Å; R143-L145 PolarHBondContact O-N 3.37Å | ||
| 144 | T | 54.4 | Low | 54.3 | Low | 134 Ų | 134 | 154.6 Ų | 154.6 | 82% | 0.822 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 118.9 | 165.3 | 41.2 | 0 | 0 | 0 | 0 | 108.1 | Y142 | Y142-T144 PolarHBondContact O-N 3.46Š|
| 145 | L | 59.4 | Low | 55 | Low | 155 Ų | 155 | 159.1 Ų | 159.1 | 81% | 0.812 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 133.4 | 174 | -65.7 | 176.1 | 0 | 0 | 0 | 109.2 | R143 | R143-L145 PolarHBondContact O-N 3.37Š|
| 146 | E | 60.1 | Low | 55.3 | Low | 175 Ų | 175 | 161.2 Ų | 161.2 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 141.8 | 176 | -73.6 | -92.7 | 138.5 | 0 | 0 | 110.7 | V148 | E146-V148 PolarHBondContact O-N 3.44Š|
| 147 | P | 70.6 | Confident | 55.9 | Low | 118 Ų | 118 | 160 Ų | 160 | 77% | 0.766 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 129.7 | 177.8 | -19.3 | 31.7 | 0 | 0 | 0 | 112.1 | R149 | P147-R149 PolarHBondContact O-N 3.49Š|
| 148 | V | 67.3 | Low | 56.8 | Low | 142 Ų | 142 | 166.4 Ų | 166.4 | 86% | 0.861 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 127.8 | 173.1 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | E146 | E146-V148 PolarHBondContact O-N 3.44Š|
| 149 | R | 62.3 | Low | 57.4 | Low | 229 Ų | 229 | 160.3 Ų | 160.3 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 134.3 | -179.5 | -158.2 | -175.6 | -59.6 | -155.3 | 2.8 | 110.2 | P147 | P147-R149 PolarHBondContact O-N 3.49Š|
| 150 | P | 61.2 | Low | 58.3 | Low | 106 Ų | 106 | 158.1 Ų | 158.1 | 69% | 0.688 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 161 | 177 | 29.1 | -33.6 | 0 | 0 | 0 | 112.6 | ||
| 151 | P | 65 | Low | 59 | Low | 206 Ų | 206 | 164.1 Ų | 164.1 | 100% | 1.338 | 85% | 0.85 | S | S | * | * | trans | -65.6 | 0 | -174.7 | 28.4 | -36.3 | 0 | 0 | 0 | 114.2 |
Retrieved 151 of 151 residues in 196.1 ms
(Link to these results)